A0A087YEI9_POEFO Loading...

Si:ch73-174h16.4

AlphaFold DB , UniProt , Accession A0A087YEI9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 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
1M49.3Very low76.5Confident197 Ų19791.7 Ų91.797%0.9750%0.5SS*.  0129.10-81.5-170.6-88.300108.8
2V50.4Low77.3Confident151 Ų15195.3 Ų95.392%0.91551%0.511SS*.  trans-87.2112.2173.6-1760000107.3
3H65.3Low77.8Confident93 Ų9392.5 Ų92.543%0.43150%0.499SS..  trans-72.4137.6174-68.2-74000109.5L8H3-L8 HydrophobicContact CB-CD1 4.31Å; H3-L8 HydrophobicContact CB-CD2 4.07Å; H3-L8 HydrophobicContact CB-CG 3.91Å
4S82.8Confident78.3Confident69 Ų6986 Ų8648%0.48346%0.464SS..  trans-64.1150.2173.469.60000110.2V6 S7 L8S4-V6 PolarHBondContact O-N 2.63Å; S4-S7 WeakPolarHBondContact O-CB 3.33Å; S4-S7 PolarHBondContact O-N 2.7Å; S4-S7 WeakPolarHBondContact OG-CB 3.36Å; S4-S7 PolarHBondContact OG-N 3.28Å; S4-S7 VanDerWaalsContact OG-N 3.13Å; S4-L8 PolarHBondContact O-N 2.98Å
5L84.3Confident78.4Confident132 Ų13283.3 Ų83.369%0.69146%0.455SS*.Hα-helixtrans-54-40175-17766.4000111.1S7 L8 C9L5-S7 VanDerWaalsContact C-N 3.35Å; L5-S7 PolarHBondContact O-N 3.27Å; L5-L8 PolarHBondContact O-N 2.74Å; L5-C9 WeakPolarHBondContact O-CB 3.43Å; L5-C9 PolarHBondContact O-N 3.35Å; L5-C9 PolarHBondContact O-SG 2.67Å
6V85Confident78.1Confident74 Ų7482.8 Ų82.845%0.44845%0.451SS..Hα-helixtrans-59.7-43.7176.1-178.80000111.6S4 A10 L31 A34S4-V6 PolarHBondContact O-N 2.63Å; V6-A10 WeakPolarHBondContact O-CB 3.47Å; V6-A10 PolarHBondContact O-N 3.42Å; V6-L31 HydrophobicContact CG1-CD2 4.19Å; V6-A34 HydrophobicContact CG1-CB 3.78Å
7S82.1Confident77.3Confident39 Ų3983.2 Ų83.227%0.27345%0.449SS..Hα-helixtrans-65.3-40.9178.41790000111.9S4 L5 A10 R11S4-S7 WeakPolarHBondContact O-CB 3.33Å; S4-S7 PolarHBondContact O-N 2.7Å; S4-S7 WeakPolarHBondContact OG-CB 3.36Å; S4-S7 PolarHBondContact OG-N 3.28Å; S4-S7 VanDerWaalsContact OG-N 3.13Å; L5-S7 VanDerWaalsContact C-N 3.35Å; L5-S7 PolarHBondContact O-N 3.27Å; S7-A10 PolarHBondContact O-N 3.31Å; S7-R11 VanDerWaalsContact O-CG 3.3Å; S7-R11 WeakPolarHBondContact O-CG 3.15Å; S7-R11 PolarHBondContact O-N 3.41Å; S7-R11 VanDerWaalsContact O-N 3.09Å
8L84Confident76.7Confident80 Ų8083.6 Ų83.642%0.41946%0.459SS..Hα-helixtrans-65.6-49176.8-70.4167.8000111.4H3 S4 L5 A10 R11 E12H3-L8 HydrophobicContact CB-CD1 4.31Å; H3-L8 HydrophobicContact CB-CD2 4.07Å; H3-L8 HydrophobicContact CB-CG 3.91Å; S4-L8 PolarHBondContact O-N 2.98Å; L5-L8 PolarHBondContact O-N 2.74Å; L8-A10 VanDerWaalsContact C-N 3.32Å; L8-A10 PolarHBondContact O-N 3.29Å; L8-R11 PolarHBondContact O-N 3.43Å; L8-E12 PolarHBondContact O-N 3.2Å; L8-E12 VanDerWaalsContact O-N 3.15Å
9C86.1Confident76.2Confident65 Ų6580.7 Ų80.744%0.43945%0.445SS..Hα-helixtrans-60.8-41.3176.6-66.50000111.8L5 R11 E12 V13L5-C9 WeakPolarHBondContact O-CB 3.43Å; L5-C9 PolarHBondContact O-N 3.35Å; L5-C9 PolarHBondContact O-SG 2.67Å; C9-R11 VanDerWaalsContact C-N 3.32Å; C9-R11 PolarHBondContact O-N 3.1Å; C9-E12 PolarHBondContact O-N 3.19Å; C9-V13 WeakPolarHBondContact O-CB 3.47Å; C9-V13 VanDerWaalsContact O-CG2 3.25Å; C9-V13 WeakPolarHBondContact O-CG2 3.44Å; C9-V13 PolarHBondContact O-N 3.25Å
10A86.6Confident75.8Confident5 Ų577.1 Ų77.14%0.04143%0.426CS..Hα-helixtrans-61.7-39.9177.600000112.1V6 S7 L8 V14 L35 A38V6-A10 WeakPolarHBondContact O-CB 3.47Å; V6-A10 PolarHBondContact O-N 3.42Å; S7-A10 PolarHBondContact O-N 3.31Å; L8-A10 VanDerWaalsContact C-N 3.32Å; L8-A10 PolarHBondContact O-N 3.29Å; A10-V14 VanDerWaalsContact O-CB 3.26Å; A10-V14 WeakPolarHBondContact O-CB 3.41Å; A10-V14 WeakPolarHBondContact O-CG2 3.26Å; A10-V14 PolarHBondContact O-N 3.35Å; A10-L35 HydrophobicContact CB-CD2 3.96Å; A10-L35 HydrophobicContact CB-CG 4.46Å; A10-A38 HydrophobicContact CB-CB 3.75Å
11R86.3Confident75.5Confident104 Ų10476 Ų7639%0.39242%0.423SS..Hα-helixtrans-63.5-43.2176.5-73.1174.268.9-177.90.6112.2S7 L8 C9 S15 A38S7-R11 VanDerWaalsContact O-CG 3.3Å; S7-R11 WeakPolarHBondContact O-CG 3.15Å; S7-R11 PolarHBondContact O-N 3.41Å; S7-R11 VanDerWaalsContact O-N 3.09Å; L8-R11 PolarHBondContact O-N 3.43Å; C9-R11 VanDerWaalsContact C-N 3.32Å; C9-R11 PolarHBondContact O-N 3.1Å; R11-S15 WeakPolarHBondContact O-CB 3.25Å; R11-S15 PolarHBondContact O-N 2.9Å; R11-S15 VanDerWaalsContact O-N 3.09Å; R11-A38 HydrophobicContact CG-CB 4.05Å
12E85.4Confident76.5Confident135 Ų13571 Ų7163%0.63140%0.404SS*.Hα-helixtrans-65.7-47.2177-69.7-55.7130.200111.7L8 C9 V14 S15L8-E12 PolarHBondContact O-N 3.2Å; L8-E12 VanDerWaalsContact O-N 3.15Å; C9-E12 PolarHBondContact O-N 3.19Å; E12-V14 VanDerWaalsContact C-N 3.3Å; E12-V14 PolarHBondContact O-N 3.28Å; E12-S15 WeakPolarHBondContact O-CB 3.47Å; E12-S15 PolarHBondContact O-N 3.44Å; E12-S15 VanDerWaalsContact O-N 3.07Å; E12-S15 PolarHBondContact O-OG 3.31Å
13V83.9Confident77.5Confident59 Ų5966 Ų6636%0.35837%0.368SS..Hα-helixtrans-60.6-40.7179.2170.30000111.7C9 S15 W23 L35C9-V13 WeakPolarHBondContact O-CB 3.47Å; C9-V13 VanDerWaalsContact O-CG2 3.25Å; C9-V13 WeakPolarHBondContact O-CG2 3.44Å; C9-V13 PolarHBondContact O-N 3.25Å; V13-S15 VanDerWaalsContact C-N 3.28Å; V13-S15 PolarHBondContact O-N 3.28Å; V13-W23 HydrophobicContact CG1-CD2 3.78Å; V13-W23 HydrophobicContact CG1-CE3 3.91Å; V13-W23 HydrophobicContact CG1-CH2 3.78Å; V13-W23 HydrophobicContact CG1-CZ2 3.6Å; V13-W23 HydrophobicContact CG1-CZ3 3.9Å; V13-L35 HydrophobicContact CB-CD2 4.21Å; V13-L35 HydrophobicContact CG1-CD2 3.97Å
14V84.6Confident78Confident1 Ų161.7 Ų61.71%0.00635%0.349CS..Hα-helixtrans-74.5-20179.2169.50000112.6A10 E12 D16 L35 A38 A39 R44 A47A10-V14 VanDerWaalsContact O-CB 3.26Å; A10-V14 WeakPolarHBondContact O-CB 3.41Å; A10-V14 WeakPolarHBondContact O-CG2 3.26Å; A10-V14 PolarHBondContact O-N 3.35Å; E12-V14 VanDerWaalsContact C-N 3.3Å; E12-V14 PolarHBondContact O-N 3.28Å; V14-D16 VanDerWaalsContact C-N 3.33Å; V14-L35 HydrophobicContact CG2-CD2 3.93Å; V14-A38 HydrophobicContact CG2-CB 4.33Å; V14-A39 HydrophobicContact CG1-CB 3.75Å; V14-A39 HydrophobicContact CG2-CB 4.42Å; V14-R44 HydrophobicContact CG1-CB 3.9Å; V14-R44 HydrophobicContact CG1-CG 3.85Å; V14-A47 HydrophobicContact CG1-CB 3.93Å
15S79.9Confident77.5Confident46 Ų4667 Ų6732%0.32236%0.358SS..Hα-helixtrans-67.4-34.4178.580.10000112.4R11 E12 V13 H17 R44R11-S15 WeakPolarHBondContact O-CB 3.25Å; R11-S15 PolarHBondContact O-N 2.9Å; R11-S15 VanDerWaalsContact O-N 3.09Å; E12-S15 WeakPolarHBondContact O-CB 3.47Å; E12-S15 PolarHBondContact O-N 3.44Å; E12-S15 VanDerWaalsContact O-N 3.07Å; E12-S15 PolarHBondContact O-OG 3.31Å; V13-S15 VanDerWaalsContact C-N 3.28Å; V13-S15 PolarHBondContact O-N 3.28Å; S15-H17 PolarHBondContact O-N 2.93Å; S15-R44 PolarHBondContact O-NH1 3.29Å
16D74.6Confident77.1Confident74 Ų7471.1 Ų71.140%0.39636%0.364SS..  trans-9082173.2-179.119000111.2V14 S18 S19V14-D16 VanDerWaalsContact C-N 3.33Å; D16-S18 PolarHBondContact O-N 3.15Å; D16-S18 PolarHBondContact OD1-N 3.43Å; D16-S18 PolarHBondContact OD1-OG 3.22Å; D16-S19 VanDerWaalsContact CG-OG 3.28Å; D16-S19 PolarHBondContact O-OG 3.5Å; D16-S19 WeakPolarHBondContact OD2-CB 3.47Å; D16-S19 PolarHBondContact OD2-OG 2.91Å
17H64.4Low76.9Confident90 Ų9069 Ų6942%0.41735%0.351SS..G310 helixtrans-68.8-19.9-179.166.480.1000113.5S15 S19 S20S15-H17 PolarHBondContact O-N 2.93Å; H17-S19 VanDerWaalsContact C-N 3.28Å; H17-S19 PolarHBondContact O-N 3.09Å; H17-S20 PolarHBondContact O-N 2.99Å; H17-S20 PolarHBondContact O-OG 3.37Å
18S66.4Low77Confident91 Ų9170.3 Ų70.364%0.63636%0.359SS*.G310 helixtrans-69.4-28.3-173.974.40000112.5D16D16-S18 PolarHBondContact O-N 3.15Å; D16-S18 PolarHBondContact OD1-N 3.43Å; D16-S18 PolarHBondContact OD1-OG 3.22Å
19S66.1Low77Confident28 Ų2874.2 Ų74.220%0.19637%0.368CS..G310 helixtrans-982.1179.860.90000113.7D16 H17 P21 T22 W23D16-S19 VanDerWaalsContact CG-OG 3.28Å; D16-S19 PolarHBondContact O-OG 3.5Å; D16-S19 WeakPolarHBondContact OD2-CB 3.47Å; D16-S19 PolarHBondContact OD2-OG 2.91Å; H17-S19 VanDerWaalsContact C-N 3.28Å; H17-S19 PolarHBondContact O-N 3.09Å; S19-P21 VanDerWaalsContact C-CD 3.4Å; S19-P21 VanDerWaalsContact C-N 3.34Å; S19-P21 VanDerWaalsContact O-N 3.14Å; S19-T22 PolarHBondContact O-N 3.01Å; S19-T22 PolarHBondContact O-OG1 3.09Å; S19-W23 PolarHBondContact O-N 3.47Å; S19-W23 PolarHBondContact O-NE1 3.41Å
20S69.4Low77Confident8 Ų878.5 Ų78.56%0.05638%0.382CS..Hα-helixtrans-49.2-42.1-178.257.10000115.2H17 T22 W23 L24H17-S20 PolarHBondContact O-N 2.99Å; H17-S20 PolarHBondContact O-OG 3.37Å; S20-T22 VanDerWaalsContact C-N 3.32Å; S20-T22 PolarHBondContact O-N 3.07Å; S20-W23 VanDerWaalsContact CA-NE1 3.33Å; S20-L24 VanDerWaalsContact O-CB 3.28Å; S20-L24 WeakPolarHBondContact O-CB 3.34Å; S20-L24 VanDerWaalsContact O-CD1 3.23Å; S20-L24 WeakPolarHBondContact O-CD1 3.23Å; S20-L24 WeakPolarHBondContact O-CG 3.48Å; S20-L24 PolarHBondContact O-N 3.39Å
21P68.3Low77Confident55 Ų5581.6 Ų81.636%0.35740%0.397SS..Hα-helixtrans-71.2-24.4-179.6-17.934.1000114S19S19-P21 VanDerWaalsContact C-CD 3.4Å; S19-P21 VanDerWaalsContact C-N 3.34Å; S19-P21 VanDerWaalsContact O-N 3.14Å
22T69.9Low77.1Confident93 Ų9377.5 Ų77.557%0.57138%0.382SS*.Hα-helixtrans-84.9-44.5-175.646.90000112S19 S20 W26S19-T22 PolarHBondContact O-N 3.01Å; S19-T22 PolarHBondContact O-OG1 3.09Å; S20-T22 VanDerWaalsContact C-N 3.32Å; S20-T22 PolarHBondContact O-N 3.07Å; T22-W26 VanDerWaalsContact O-CD1 3.31Å
23W73Confident77.2Confident44 Ų4472.7 Ų72.717%0.16737%0.368CS..Hα-helixtrans-77.9-31.5179.758.4-106.8000113V13 S19 S20 R25 W26 V27 L35V13-W23 HydrophobicContact CG1-CD2 3.78Å; V13-W23 HydrophobicContact CG1-CE3 3.91Å; V13-W23 HydrophobicContact CG1-CH2 3.78Å; V13-W23 HydrophobicContact CG1-CZ2 3.6Å; V13-W23 HydrophobicContact CG1-CZ3 3.9Å; S19-W23 PolarHBondContact O-N 3.47Å; S19-W23 PolarHBondContact O-NE1 3.41Å; S20-W23 VanDerWaalsContact CA-NE1 3.33Å; W23-R25 PolarHBondContact O-N 3.34Å; W23-W26 PolarHBondContact O-N 3.29Å; W23-V27 HydrophobicContact CE3-CG2 3.48Å; W23-V27 VanDerWaalsContact CE3-CG2 3.48Å; W23-V27 HydrophobicContact CZ3-CG2 3.79Å; W23-V27 WeakPolarHBondContact O-CG2 3.11Å; W23-L35 HydrophobicContact CH2-CD1 4.35Å; W23-L35 HydrophobicContact CH2-CD2 4.26Å; W23-L35 HydrophobicContact CZ3-CD1 3.8Å; W23-L35 HydrophobicContact CZ3-CD2 4.3Å
24L74.2Confident77.4Confident4 Ų471.1 Ų71.12%0.02136%0.362CS..G310 helixtrans-57.9-21.6179.8-81.1171.8000114.6S20 W26 Y32 E50 L51S20-L24 VanDerWaalsContact O-CB 3.28Å; S20-L24 WeakPolarHBondContact O-CB 3.34Å; S20-L24 VanDerWaalsContact O-CD1 3.23Å; S20-L24 WeakPolarHBondContact O-CD1 3.23Å; S20-L24 WeakPolarHBondContact O-CG 3.48Å; S20-L24 PolarHBondContact O-N 3.39Å; L24-W26 PolarHBondContact O-N 3.31Å; L24-Y32 HydrophobicContact CD2-CE1 4.41Å; L24-E50 HydrophobicContact CD1-CB 3.48Å; L24-E50 VanDerWaalsContact CD1-CB 3.48Å; L24-E50 HydrophobicContact CD1-CG 4.5Å; L24-L51 HydrophobicContact CD2-CD2 3.43Å; L24-L51 VanDerWaalsContact CD2-CD2 3.43Å; L24-L51 HydrophobicContact CD2-CG 4.15Å
25R72.6Confident77.6Confident181 Ų18171.5 Ų71.568%0.68336%0.364SS*.G310 helixtrans-69-20.1175.6-66.1-177.1177.2-166.5-0.5113.5W23W23-R25 PolarHBondContact O-N 3.34Å
26W76Confident78.1Confident218 Ų21869.7 Ų69.783%0.82635%0.351SS*.G310 helixtrans-112.21.1-172.3-54.7102.4000112.5T22 W23 L24 P28T22-W26 VanDerWaalsContact O-CD1 3.31Å; W23-W26 PolarHBondContact O-N 3.29Å; L24-W26 PolarHBondContact O-N 3.31Å; W26-P28 WeakPolarHBondContact O-CD 3.28Å
27V80.6Confident78.7Confident28 Ų2871.8 Ų71.817%0.1736%0.358CS..  trans-82.5122.7-176.8177.20000110.1W23 L31 Y32 L35W23-V27 HydrophobicContact CE3-CG2 3.48Å; W23-V27 VanDerWaalsContact CE3-CG2 3.48Å; W23-V27 HydrophobicContact CZ3-CG2 3.79Å; W23-V27 WeakPolarHBondContact O-CG2 3.11Å; V27-L31 HydrophobicContact CG1-CB 3.76Å; V27-Y32 HydrophobicContact CB-CE2 4.07Å; V27-Y32 HydrophobicContact CG1-CD2 3.85Å; V27-Y32 HydrophobicContact CG1-CE2 3.88Å; V27-L35 HydrophobicContact CG1-CD1 3.62Å; V27-L35 HydrophobicContact CG2-CD1 4.32Å
28P84.1Confident79.8Confident67 Ų6767.8 Ų67.844%0.43534%0.341SS..  trans-59.7150.9170.2-21.332.8000111.9W26 E30 L31W26-P28 WeakPolarHBondContact O-CD 3.28Å; P28-E30 WeakPolarHBondContact CB-OE2 3.26Å; P28-E30 PolarHBondContact O-N 2.85Å; P28-E30 VanDerWaalsContact O-N 3.14Å; P28-L31 HydrophobicContact CG-CD1 4.43Å; P28-L31 PolarHBondContact O-N 2.7Å; P28-L31 VanDerWaalsContact O-N 3.08Å
29R84.1Confident80.9Confident163 Ų16363.5 Ų63.562%0.61531%0.31SS*.THydrogen-bonded Turntrans-59.3-32-174.8-60.3-175.7175.2-175.4-1112.2L31 Y32 P56R29-L31 PolarHBondContact O-N 3.02Å; R29-Y32 PolarHBondContact O-N 2.87Å; R29-P56 HydrophobicContact CB-CB 4.01Å; R29-P56 HydrophobicContact CB-CG 4.03Å; R29-P56 HydrophobicContact CG-CB 3.67Å; R29-P56 HydrophobicContact CG-CG 4.22Å
30E86.5Confident81.9Confident154 Ų15463.3 Ų63.372%0.7231%0.306SS*.THydrogen-bonded Turntrans-66-25.3-177.9-56.675.1-163.500112.6P28P28-E30 WeakPolarHBondContact CB-OE2 3.26Å; P28-E30 PolarHBondContact O-N 2.85Å; P28-E30 VanDerWaalsContact O-N 3.14Å
31L87.8Confident82.6Confident71 Ų7165.9 Ų65.937%0.37233%0.328SS..Hα-helixtrans-88.5-15.2-178-62.3-173.1000113.4V6 V27 P28 R29 G33 A34 L35V6-L31 HydrophobicContact CG1-CD2 4.19Å; V27-L31 HydrophobicContact CG1-CB 3.76Å; P28-L31 HydrophobicContact CG-CD1 4.43Å; P28-L31 PolarHBondContact O-N 2.7Å; P28-L31 VanDerWaalsContact O-N 3.08Å; R29-L31 PolarHBondContact O-N 3.02Å; L31-G33 VanDerWaalsContact C-N 3.28Å; L31-G33 PolarHBondContact O-N 3.42Å; L31-A34 PolarHBondContact O-N 3.26Å; L31-L35 HydrophobicContact CB-CD1 4.25Å; L31-L35 WeakPolarHBondContact O-CB 3.49Å; L31-L35 WeakPolarHBondContact O-CD1 3.42Å; L31-L35 VanDerWaalsContact O-CG 3.3Å; L31-L35 WeakPolarHBondContact O-CG 3.25Å; L31-L35 PolarHBondContact O-N 3.38Å
32Y88.3Confident83.4Confident17 Ų1765.1 Ų65.17%0.06732%0.323CS..Hα-helixtrans-58.9-38.7-179.2-91.9-107.6000112.6L24 V27 R29 L36 L51 R54 W55 P56L24-Y32 HydrophobicContact CD2-CE1 4.41Å; V27-Y32 HydrophobicContact CB-CE2 4.07Å; V27-Y32 HydrophobicContact CG1-CD2 3.85Å; V27-Y32 HydrophobicContact CG1-CE2 3.88Å; R29-Y32 PolarHBondContact O-N 2.87Å; Y32-L36 VanDerWaalsContact O-CB 3.29Å; Y32-L36 WeakPolarHBondContact O-CB 3.35Å; Y32-L36 PolarHBondContact O-N 2.99Å; Y32-L51 HydrophobicContact CD1-CD2 3.76Å; Y32-L51 HydrophobicContact CE1-CD2 4.01Å; Y32-L51 HydrophobicContact CG-CD2 4.34Å; Y32-R54 WeakPolarHBondContact CE1-O 3.45Å; Y32-W55 AromaticContact CD1-CE3 3.94Å; Y32-W55 HydrophobicContact CD1-CE3 3.94Å; Y32-W55 HydrophobicContact CD1-CZ3 4.13Å; Y32-P56 VanDerWaalsContact CD1-CD 3.42Å; Y32-P56 HydrophobicContact CD1-CG 4.07Å; Y32-P56 HydrophobicContact CD2-CG 3.88Å; Y32-P56 HydrophobicContact CE1-CG 4.47Å; Y32-P56 HydrophobicContact CE2-CG 4.32Å; Y32-P56 HydrophobicContact CG-CG 3.73Å
33G87.4Confident84.2Confident34 Ų3463.9 Ų63.935%0.35132%0.318SS..Hα-helixtrans-61.3-52.3176.400000112.5L31 L35 L36 E37L31-G33 VanDerWaalsContact C-N 3.28Å; L31-G33 PolarHBondContact O-N 3.42Å; G33-L35 VanDerWaalsContact C-N 3.33Å; G33-L35 PolarHBondContact O-N 2.98Å; G33-L36 PolarHBondContact O-N 3.42Å; G33-E37 PolarHBondContact O-N 2.96Å
34A87.1Confident84.9Confident26 Ų2666.1 Ų66.122%0.21533%0.326CS..Hα-helixtrans-64-37.2-179.700000112.7V6 L31 A38V6-A34 HydrophobicContact CG1-CB 3.78Å; L31-A34 PolarHBondContact O-N 3.26Å; A34-A38 WeakPolarHBondContact O-CB 3.07Å; A34-A38 PolarHBondContact O-N 3.28Å
35L89.1Confident85.6Confident10 Ų1067.7 Ų67.75%0.05234%0.337CS..Hα-helixtrans-67.8-39.9175.7-71.8164.4000112.1A10 V13 V14 W23 V27 L31 G33 A38 A39 L51A10-L35 HydrophobicContact CB-CD2 3.96Å; A10-L35 HydrophobicContact CB-CG 4.46Å; V13-L35 HydrophobicContact CB-CD2 4.21Å; V13-L35 HydrophobicContact CG1-CD2 3.97Å; V14-L35 HydrophobicContact CG2-CD2 3.93Å; W23-L35 HydrophobicContact CH2-CD1 4.35Å; W23-L35 HydrophobicContact CH2-CD2 4.26Å; W23-L35 HydrophobicContact CZ3-CD1 3.8Å; W23-L35 HydrophobicContact CZ3-CD2 4.3Å; V27-L35 HydrophobicContact CG1-CD1 3.62Å; V27-L35 HydrophobicContact CG2-CD1 4.32Å; L31-L35 HydrophobicContact CB-CD1 4.25Å; L31-L35 WeakPolarHBondContact O-CB 3.49Å; L31-L35 WeakPolarHBondContact O-CD1 3.42Å; L31-L35 VanDerWaalsContact O-CG 3.3Å; L31-L35 WeakPolarHBondContact O-CG 3.25Å; L31-L35 PolarHBondContact O-N 3.38Å; G33-L35 VanDerWaalsContact C-N 3.33Å; G33-L35 PolarHBondContact O-N 2.98Å; L35-A38 PolarHBondContact O-N 3.49Å; L35-A39 WeakPolarHBondContact O-CB 3.42Å; L35-A39 PolarHBondContact O-N 2.96Å; L35-L51 HydrophobicContact CB-CD1 3.97Å; L35-L51 HydrophobicContact CB-CD2 3.97Å; L35-L51 HydrophobicContact CD1-CD2 4.29Å
36L89.4Confident86.3Confident8 Ų864.6 Ų64.64%0.04233%0.333CS..Hα-helixtrans-67.2-43177.1-175.965.4000111.4Y32 G33 A38 A39 F40 V48 L51 V52 W55 L60Y32-L36 VanDerWaalsContact O-CB 3.29Å; Y32-L36 WeakPolarHBondContact O-CB 3.35Å; Y32-L36 PolarHBondContact O-N 2.99Å; G33-L36 PolarHBondContact O-N 3.42Å; L36-A38 VanDerWaalsContact C-N 3.34Å; L36-A38 PolarHBondContact O-N 3.36Å; L36-A39 PolarHBondContact O-N 3Å; L36-F40 HydrophobicContact CD1-CD2 4.38Å; L36-F40 HydrophobicContact CD1-CE2 3.78Å; L36-F40 HydrophobicContact CD1-CZ 3.94Å; L36-F40 HydrophobicContact CD2-CE2 3.95Å; L36-F40 HydrophobicContact CG-CD2 4.05Å; L36-F40 HydrophobicContact CG-CE2 3.55Å; L36-F40 HydrophobicContact CG-CZ 4.21Å; L36-F40 VanDerWaalsContact O-CD2 3.28Å; L36-F40 WeakPolarHBondContact O-CD2 3.41Å; L36-F40 PolarHBondContact O-N 2.95Å; L36-V48 HydrophobicContact CD1-CB 4.4Å; L36-V48 HydrophobicContact CD1-CG1 4.06Å; L36-V48 HydrophobicContact CD1-CG2 4.24Å; L36-L51 HydrophobicContact CB-CD1 4.36Å; L36-L51 HydrophobicContact CD1-CD1 4.43Å; L36-V52 HydrophobicContact CD1-CG2 4.05Å; L36-W55 HydrophobicContact CB-CH2 4.4Å; L36-W55 HydrophobicContact CB-CZ3 4.11Å; L36-W55 HydrophobicContact CD2-CE3 4.5Å; L36-W55 HydrophobicContact CD2-CH2 3.8Å; L36-W55 HydrophobicContact CD2-CZ3 3.68Å; L36-W55 HydrophobicContact CG-CZ3 4.45Å; L36-L60 HydrophobicContact CD2-CD1 3.53Å
37E88Confident86.9Confident118 Ų11854.3 Ų54.355%0.55129%0.294SS*.Hα-helixtrans-59-45173.2-74-174.7-179.800111.7G33 A39 F40 A41G33-E37 PolarHBondContact O-N 2.96Å; E37-A39 VanDerWaalsContact C-N 3.32Å; E37-A39 PolarHBondContact O-N 3.4Å; E37-F40 PolarHBondContact O-N 3.5Å; E37-A41 WeakPolarHBondContact O-CB 3.19Å; E37-A41 PolarHBondContact O-N 2.95Å
38A87.6Confident87.3Confident6 Ų653 Ų535%0.0529%0.286CS..Hα-helixtrans-62.9-37.6175.700000112.3A10 R11 V14 A34 L35 L36 A41 C42A10-A38 HydrophobicContact CB-CB 3.75Å; R11-A38 HydrophobicContact CG-CB 4.05Å; V14-A38 HydrophobicContact CG2-CB 4.33Å; A34-A38 WeakPolarHBondContact O-CB 3.07Å; A34-A38 PolarHBondContact O-N 3.28Å; L35-A38 PolarHBondContact O-N 3.49Å; L36-A38 VanDerWaalsContact C-N 3.34Å; L36-A38 PolarHBondContact O-N 3.36Å; A38-A41 PolarHBondContact O-N 3.43Å; A38-C42 VanDerWaalsContact O-CB 3.28Å; A38-C42 WeakPolarHBondContact O-CB 3.36Å; A38-C42 PolarHBondContact O-N 2.9Å; A38-C42 PolarHBondContact O-SG 3.05Å
39A88.8Confident87.6Confident0 Ų050.4 Ų50.40%027%0.272CS..Hα-helixtrans-67.1-37176.500000113.4V14 L35 L36 E37 C43 R44 A47 V48 L51V14-A39 HydrophobicContact CG1-CB 3.75Å; V14-A39 HydrophobicContact CG2-CB 4.42Å; L35-A39 WeakPolarHBondContact O-CB 3.42Å; L35-A39 PolarHBondContact O-N 2.96Å; L36-A39 PolarHBondContact O-N 3Å; E37-A39 VanDerWaalsContact C-N 3.32Å; E37-A39 PolarHBondContact O-N 3.4Å; A39-C43 PolarHBondContact O-N 3.13Å; A39-R44 PolarHBondContact O-N 3.22Å; A39-A47 HydrophobicContact CB-CB 4.11Å; A39-V48 HydrophobicContact CB-CG2 3.66Å; A39-L51 HydrophobicContact CB-CD1 4.38Å
40F87.6Confident87.8Confident25 Ų2544.8 Ų44.811%0.1125%0.253CS..Hα-helixtrans-67.2-47.5170.7-70.4-48.7000112L36 E37 C42 C43 V48 V62 P73 C77 L81L36-F40 HydrophobicContact CD1-CD2 4.38Å; L36-F40 HydrophobicContact CD1-CE2 3.78Å; L36-F40 HydrophobicContact CD1-CZ 3.94Å; L36-F40 HydrophobicContact CD2-CE2 3.95Å; L36-F40 HydrophobicContact CG-CD2 4.05Å; L36-F40 HydrophobicContact CG-CE2 3.55Å; L36-F40 HydrophobicContact CG-CZ 4.21Å; L36-F40 VanDerWaalsContact O-CD2 3.28Å; L36-F40 WeakPolarHBondContact O-CD2 3.41Å; L36-F40 PolarHBondContact O-N 2.95Å; E37-F40 PolarHBondContact O-N 3.5Å; F40-C42 VanDerWaalsContact C-N 3.29Å; F40-C42 PolarHBondContact O-N 2.97Å; F40-C43 PolarHBondContact O-N 2.99Å; F40-C43 VanDerWaalsContact O-N 3.13Å; F40-V48 HydrophobicContact CD1-CG2 3.92Å; F40-V48 HydrophobicContact CE1-CG1 3.9Å; F40-V48 HydrophobicContact CE1-CG2 3.86Å; F40-V48 HydrophobicContact CZ-CG1 4.17Å; F40-V62 HydrophobicContact CE1-CG1 4.42Å; F40-V62 HydrophobicContact CE2-CG1 3.62Å; F40-V62 HydrophobicContact CZ-CG1 3.52Å; F40-V62 HydrophobicContact CZ-CG2 4.49Å; F40-P73 HydrophobicContact CB-CB 4.12Å; F40-P73 HydrophobicContact CD1-CB 3.33Å; F40-P73 HydrophobicContact CD1-CG 4.5Å; F40-P73 HydrophobicContact CE1-CB 3.79Å; F40-P73 HydrophobicContact CG-CB 3.79Å; F40-C77 HydrophobicContact CD1-CB 3.67Å; F40-C77 HydrophobicContact CE1-CB 3.8Å; F40-L81 HydrophobicContact CZ-CD1 3.87Å
41A84.9Confident87.9Confident62 Ų6237.4 Ų37.451%0.51222%0.218SC..Hα-helixtrans-62.3-35.4-179.400000113E37 A38E37-A41 WeakPolarHBondContact O-CB 3.19Å; E37-A41 PolarHBondContact O-N 2.95Å; A38-A41 PolarHBondContact O-N 3.43Å
42C84.9Confident88.1Confident38 Ų3834.1 Ų34.126%0.25720%0.201SC..THydrogen-bonded Turntrans-91.98.1178.2-65.90000113.6A38 F40 R44A38-C42 VanDerWaalsContact O-CB 3.28Å; A38-C42 WeakPolarHBondContact O-CB 3.36Å; A38-C42 PolarHBondContact O-N 2.9Å; A38-C42 PolarHBondContact O-SG 3.05Å; F40-C42 VanDerWaalsContact C-N 3.29Å; F40-C42 PolarHBondContact O-N 2.97Å; C42-R44 HydrophobicContact CB-CG 3.93Å; C42-R44 WeakPolarHBondContact O-CD 3.3Å; C42-R44 WeakPolarHBondContact O-CG 3.45Å; C42-R44 PolarHBondContact O-N 2.87Å
43C86.5Confident88.1Confident68 Ų6835 Ų3546%0.45921%0.206SC..THydrogen-bonded Turntrans50.847.1-179.6-67.80000113.8A39 F40 P45A39-C43 PolarHBondContact O-N 3.13Å; F40-C43 PolarHBondContact O-N 2.99Å; F40-C43 VanDerWaalsContact O-N 3.13Å; C43-P45 WeakPolarHBondContact O-CD 3.3Å
44R87.6Confident88.2Confident90 Ų9035.4 Ų35.434%0.3420%0.197SC..  trans-105.485.6-176.4-61.1-53.4-175.3126.24.7111.9V14 S15 A39 C42 L46 A47 V48V14-R44 HydrophobicContact CG1-CB 3.9Å; V14-R44 HydrophobicContact CG1-CG 3.85Å; S15-R44 PolarHBondContact O-NH1 3.29Å; A39-R44 PolarHBondContact O-N 3.22Å; C42-R44 HydrophobicContact CB-CG 3.93Å; C42-R44 WeakPolarHBondContact O-CD 3.3Å; C42-R44 WeakPolarHBondContact O-CG 3.45Å; C42-R44 PolarHBondContact O-N 2.87Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.08Å; R44-A47 HydrophobicContact CB-CB 4.07Å; R44-A47 PolarHBondContact O-N 3Å; R44-V48 WeakPolarHBondContact O-CG2 3.37Å; R44-V48 PolarHBondContact O-N 3.41Å; R44-V48 VanDerWaalsContact O-N 3.16Å
45P88.3Confident88.4Confident38 Ų3835 Ų3525%0.24719%0.19CC..Hα-helixtrans-63.9-34.2-173.924.7-35.2000113.8C43 V48 G49 L76 A80C43-P45 WeakPolarHBondContact O-CD 3.3Å; P45-V48 WeakPolarHBondContact O-CB 3.39Å; P45-V48 PolarHBondContact O-N 3.28Å; P45-G49 PolarHBondContact O-N 3.31Å; P45-L76 HydrophobicContact CB-CB 4.15Å; P45-L76 HydrophobicContact CG-CB 4.23Å; P45-A80 HydrophobicContact CB-CB 3.81Å; P45-A80 WeakPolarHBondContact O-CB 3.45Å
46L87.8Confident88.3Confident115 Ų11535.3 Ų35.360%0.60219%0.193SC*.Hα-helixtrans-65.6-42.9178.8-63.7177.5000111.9R44 G49 E50R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.08Å; L46-G49 PolarHBondContact O-N 3.14Å; L46-E50 PolarHBondContact O-N 3.35Å
47A88.1Confident88.3Confident2 Ų239.5 Ų39.52%0.01721%0.212CC..Hα-helixtrans-64.1-42.2176.300000111.2V14 A39 R44 G49 E50 L51V14-A47 HydrophobicContact CG1-CB 3.93Å; A39-A47 HydrophobicContact CB-CB 4.11Å; R44-A47 HydrophobicContact CB-CB 4.07Å; R44-A47 PolarHBondContact O-N 3Å; A47-G49 VanDerWaalsContact C-N 3.3Å; A47-G49 PolarHBondContact O-N 2.99Å; A47-E50 PolarHBondContact O-N 2.9Å; A47-L51 WeakPolarHBondContact O-CB 3.37Å; A47-L51 WeakPolarHBondContact O-CD1 3.38Å; A47-L51 VanDerWaalsContact O-CG 3.3Å; A47-L51 WeakPolarHBondContact O-CG 3.3Å; A47-L51 PolarHBondContact O-N 3.45Å
48V89.9Confident88.5Confident0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-55.9-47172.2173.20000110.6L36 A39 F40 R44 P45 L51 V52 C77 L81L36-V48 HydrophobicContact CD1-CB 4.4Å; L36-V48 HydrophobicContact CD1-CG1 4.06Å; L36-V48 HydrophobicContact CD1-CG2 4.24Å; A39-V48 HydrophobicContact CB-CG2 3.66Å; F40-V48 HydrophobicContact CD1-CG2 3.92Å; F40-V48 HydrophobicContact CE1-CG1 3.9Å; F40-V48 HydrophobicContact CE1-CG2 3.86Å; F40-V48 HydrophobicContact CZ-CG1 4.17Å; R44-V48 WeakPolarHBondContact O-CG2 3.37Å; R44-V48 PolarHBondContact O-N 3.41Å; R44-V48 VanDerWaalsContact O-N 3.16Å; P45-V48 WeakPolarHBondContact O-CB 3.39Å; P45-V48 PolarHBondContact O-N 3.28Å; V48-L51 PolarHBondContact O-N 3.2Å; V48-V52 HydrophobicContact CG1-CG2 4.2Å; V48-V52 WeakPolarHBondContact O-CB 3.46Å; V48-V52 VanDerWaalsContact O-CG2 3.23Å; V48-V52 WeakPolarHBondContact O-CG2 3.37Å; V48-V52 PolarHBondContact O-N 2.89Å; V48-C77 HydrophobicContact CG2-CB 4.14Å; V48-L81 HydrophobicContact CG1-CB 3.83Å
49G89.4Confident88.7Confident13 Ų1344.9 Ų44.913%0.13423%0.234CC..Hα-helixtrans-60.6-47.5-178.900000113.3P45 L46 A47 Q53 A84P45-G49 PolarHBondContact O-N 3.31Å; L46-G49 PolarHBondContact O-N 3.14Å; A47-G49 VanDerWaalsContact C-N 3.3Å; A47-G49 PolarHBondContact O-N 2.99Å; G49-Q53 VanDerWaalsContact O-CB 3.31Å; G49-Q53 WeakPolarHBondContact O-CB 3.28Å; G49-Q53 PolarHBondContact O-N 3.44Å; G49-A84 WeakPolarHBondContact O-CB 3.42Å
50E88.2Confident88.8Confident45 Ų4545 Ų4521%0.2124%0.235CC..Hα-helixtrans-67.5-38.9179.7-71.4-69140.800112.8L24 L46 A47 R54L24-E50 HydrophobicContact CD1-CB 3.48Å; L24-E50 VanDerWaalsContact CD1-CB 3.48Å; L24-E50 HydrophobicContact CD1-CG 4.5Å; L46-E50 PolarHBondContact O-N 3.35Å; A47-E50 PolarHBondContact O-N 2.9Å; E50-R54 IonicContact OE2-CZ 3.56Å; E50-R54 IonicContact OE2-NH1 3.94Å; E50-R54 IonicContact OE2-NH2 2.87Å; E50-R54 PolarHBondContact OE2-NH2 3.45Å
51L89.6Confident88.9Confident0 Ų051.5 Ų51.50%026%0.258CS..Hα-helixtrans-63.7-48.7176.8-77.4164.1000111.6L24 Y32 L35 L36 A39 A47 V48 R54 W55L24-L51 HydrophobicContact CD2-CD2 3.43Å; L24-L51 VanDerWaalsContact CD2-CD2 3.43Å; L24-L51 HydrophobicContact CD2-CG 4.15Å; Y32-L51 HydrophobicContact CD1-CD2 3.76Å; Y32-L51 HydrophobicContact CE1-CD2 4.01Å; Y32-L51 HydrophobicContact CG-CD2 4.34Å; L35-L51 HydrophobicContact CB-CD1 3.97Å; L35-L51 HydrophobicContact CB-CD2 3.97Å; L35-L51 HydrophobicContact CD1-CD2 4.29Å; L36-L51 HydrophobicContact CB-CD1 4.36Å; L36-L51 HydrophobicContact CD1-CD1 4.43Å; A39-L51 HydrophobicContact CB-CD1 4.38Å; A47-L51 WeakPolarHBondContact O-CB 3.37Å; A47-L51 WeakPolarHBondContact O-CD1 3.38Å; A47-L51 VanDerWaalsContact O-CG 3.3Å; A47-L51 WeakPolarHBondContact O-CG 3.3Å; A47-L51 PolarHBondContact O-N 3.45Å; V48-L51 PolarHBondContact O-N 3.2Å; L51-R54 CarbonylContact O-C 3.15Å; L51-R54 PolarHBondContact O-N 3.39Å; L51-W55 PolarHBondContact O-N 3.02Å
52V91Very high88.9Confident1 Ų149.6 Ų49.61%0.00624%0.241CC..Hα-helixtrans-70.4-35.9-176.51730000111.6L36 V48 R54 W55 L60 L81 A84 V85L36-V52 HydrophobicContact CD1-CG2 4.05Å; V48-V52 HydrophobicContact CG1-CG2 4.2Å; V48-V52 WeakPolarHBondContact O-CB 3.46Å; V48-V52 VanDerWaalsContact O-CG2 3.23Å; V48-V52 WeakPolarHBondContact O-CG2 3.37Å; V48-V52 PolarHBondContact O-N 2.89Å; V52-R54 PolarHBondContact O-N 3.41Å; V52-W55 WeakPolarHBondContact O-CB 3.46Å; V52-W55 PolarHBondContact O-N 3.02Å; V52-L60 HydrophobicContact CG1-CD2 4.05Å; V52-L60 HydrophobicContact CG2-CD2 3.93Å; V52-L81 HydrophobicContact CG1-CG 4.27Å; V52-L81 HydrophobicContact CG2-CD1 4.06Å; V52-L81 HydrophobicContact CG2-CG 4.09Å; V52-A84 HydrophobicContact CB-CB 3.89Å; V52-A84 HydrophobicContact CG1-CB 3.95Å; V52-V85 HydrophobicContact CG1-CG2 3.65Å
53Q89.9Confident88.2Confident37 Ų3748.3 Ų48.317%0.17323%0.234CC..Hα-helixtrans-60.2-30.3177.6-178.5177-27.100112.2G49 A84 R87G49-Q53 VanDerWaalsContact O-CB 3.31Å; G49-Q53 WeakPolarHBondContact O-CB 3.28Å; G49-Q53 PolarHBondContact O-N 3.44Å; Q53-A84 HydrophobicContact CB-CB 4.29Å; Q53-R87 HydrophobicContact CG-CB 4.42Å
54R88.1Confident87.3Confident41 Ų4147 Ų4716%0.15523%0.231CC..THydrogen-bonded Turntrans-113.931.9-179.2-57.5-178.8-169.314022.2111.9Y32 E50 L51 V52 P56Y32-R54 WeakPolarHBondContact CE1-O 3.45Å; E50-R54 IonicContact OE2-CZ 3.56Å; E50-R54 IonicContact OE2-NH1 3.94Å; E50-R54 IonicContact OE2-NH2 2.87Å; E50-R54 PolarHBondContact OE2-NH2 3.45Å; L51-R54 CarbonylContact O-C 3.15Å; L51-R54 PolarHBondContact O-N 3.39Å; V52-R54 PolarHBondContact O-N 3.41Å; R54-P56 WeakPolarHBondContact O-CD 3.46Å
55W90.8Very high85.9Confident18 Ų1851.3 Ų51.37%0.06825%0.248CC..  trans-61.3122.9-173.9-167-108.4000110.5Y32 L36 L51 V52 T59 L60 A95Y32-W55 AromaticContact CD1-CE3 3.94Å; Y32-W55 HydrophobicContact CD1-CE3 3.94Å; Y32-W55 HydrophobicContact CD1-CZ3 4.13Å; L36-W55 HydrophobicContact CB-CH2 4.4Å; L36-W55 HydrophobicContact CB-CZ3 4.11Å; L36-W55 HydrophobicContact CD2-CE3 4.5Å; L36-W55 HydrophobicContact CD2-CH2 3.8Å; L36-W55 HydrophobicContact CD2-CZ3 3.68Å; L36-W55 HydrophobicContact CG-CZ3 4.45Å; L51-W55 PolarHBondContact O-N 3.02Å; V52-W55 WeakPolarHBondContact O-CB 3.46Å; V52-W55 PolarHBondContact O-N 3.02Å; W55-T59 PolarHBondContact NE1-O 3.39Å; W55-T59 VanDerWaalsContact NE1-O 3.14Å; W55-L60 HydrophobicContact CD2-CD1 4.23Å; W55-L60 HydrophobicContact CD2-CD2 4.47Å; W55-L60 HydrophobicContact CE3-CD1 4.48Å; W55-L60 HydrophobicContact CH2-CD1 3.86Å; W55-L60 HydrophobicContact CZ2-CD1 3.55Å; W55-L60 HydrophobicContact CZ3-CD1 4.32Å; W55-A95 PolarHBondContact O-N 3.32Å
56P88.5Confident84.8Confident17 Ų1753.8 Ų53.811%0.1125%0.252CS..  trans-82.3-15.2-170.630.9-35.5000113.7R29 Y32 R54 A95R29-P56 HydrophobicContact CB-CB 4.01Å; R29-P56 HydrophobicContact CB-CG 4.03Å; R29-P56 HydrophobicContact CG-CB 3.67Å; R29-P56 HydrophobicContact CG-CG 4.22Å; Y32-P56 VanDerWaalsContact CD1-CD 3.42Å; Y32-P56 HydrophobicContact CD1-CG 4.07Å; Y32-P56 HydrophobicContact CD2-CG 3.88Å; Y32-P56 HydrophobicContact CE1-CG 4.47Å; Y32-P56 HydrophobicContact CE2-CG 4.32Å; Y32-P56 HydrophobicContact CG-CG 3.73Å; R54-P56 WeakPolarHBondContact O-CD 3.46Å; P56-A95 WeakPolarHBondContact O-CB 3.41Å
57E89.8Confident83.4Confident95 Ų9555.8 Ų55.844%0.44426%0.256SS..SBendtrans-100157.8-176.7-64-59.5148.900112.4T59 A95 L96E57-T59 VanDerWaalsContact C-N 3.25Å; E57-T59 PolarHBondContact O-N 2.89Å; E57-A95 CarbonylContact O-C 3.46Å; E57-L96 WeakPolarHBondContact O-CA 3.07Å; E57-L96 PolarHBondContact O-N 3.13Å
58R91.4Very high81.5Confident163 Ų16362.6 Ų62.662%0.61530%0.298SS*.SBendtrans-70.9-23.1176.7-65.4-173.8-177.9-166.52.8113.4A95 Q97 V98R58-A95 WeakPolarHBondContact CA-O 3.14Å; R58-Q97 PolarHBondContact O-N 3.2Å; R58-V98 PolarHBondContact O-N 3.16Å
59T91.1Very high79.9Confident74 Ų7466.1 Ų66.145%0.45433%0.333SS..EExtended strand (participates in β ladder)trans-128.2134.8-175.8-55.60000110W55 E57 V98W55-T59 PolarHBondContact NE1-O 3.39Å; W55-T59 VanDerWaalsContact NE1-O 3.14Å; E57-T59 VanDerWaalsContact C-N 3.25Å; E57-T59 PolarHBondContact O-N 2.89Å; T59-V98 CarbonylContact C-O 3.56Å; T59-V98 VanDerWaalsContact CA-O 3.31Å; T59-V98 WeakPolarHBondContact CA-O 3.49Å; T59-V98 HydrophobicContact CG2-CB 4.15Å; T59-V98 HydrophobicContact CG2-CG1 4.27Å
60L92.2Very high78.7Confident4 Ų469.5 Ų69.52%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-122.4115.1169.9173.657.3000107.8L36 V52 W55 V62 L81 L96 V98 L99 D100L36-L60 HydrophobicContact CD2-CD1 3.53Å; V52-L60 HydrophobicContact CG1-CD2 4.05Å; V52-L60 HydrophobicContact CG2-CD2 3.93Å; W55-L60 HydrophobicContact CD2-CD1 4.23Å; W55-L60 HydrophobicContact CD2-CD2 4.47Å; W55-L60 HydrophobicContact CE3-CD1 4.48Å; W55-L60 HydrophobicContact CH2-CD1 3.86Å; W55-L60 HydrophobicContact CZ2-CD1 3.55Å; W55-L60 HydrophobicContact CZ3-CD1 4.32Å; L60-V62 HydrophobicContact CD1-CG2 3.82Å; L60-V62 HydrophobicContact CD2-CG2 4.12Å; L60-V62 HydrophobicContact CG-CG2 3.7Å; L60-L81 HydrophobicContact CD2-CD1 4.18Å; L60-L96 HydrophobicContact CB-CD1 3.54Å; L60-V98 PolarHBondContact N-O 3.28Å; L60-L99 HydrophobicContact CB-CD1 4.2Å; L60-L99 HydrophobicContact CD2-CD1 3.92Å; L60-L99 HydrophobicContact CG-CD1 4Å; L60-D100 PolarHBondContact O-N 3.21Å
61R89.7Confident77.6Confident160 Ų16071.6 Ų71.660%0.60436%0.362SS*.EExtended strand (participates in β ladder)trans-107123.5171.9179.1175-73.9158.9-2.6109G63 D100R61-G63 VanDerWaalsContact CG-O 3.29Å; R61-G63 WeakPolarHBondContact CG-O 3.39Å; R61-D100 WeakPolarHBondContact CA-O 3.49Å; R61-D100 HydrophobicContact CB-CB 4.16Å; R61-D100 HydrophobicContact CG-CB 4.2Å; R61-D100 IonicContact CZ-OD2 3.23Å; R61-D100 IonicContact NE-OD2 3.7Å; R61-D100 PolarHBondContact NE-OD2 3.31Å; R61-D100 IonicContact NH2-OD2 3.04Å; R61-D100 PolarHBondContact NH2-OD2 3.41Å
62V83.9Confident76.8Confident23 Ų2373.4 Ų73.414%0.13938%0.377CS..  trans-115.3-23.4-177.8-176.10000111.8F40 L60 L81 D100 L104F40-V62 HydrophobicContact CE1-CG1 4.42Å; F40-V62 HydrophobicContact CE2-CG1 3.62Å; F40-V62 HydrophobicContact CZ-CG1 3.52Å; F40-V62 HydrophobicContact CZ-CG2 4.49Å; L60-V62 HydrophobicContact CD1-CG2 3.82Å; L60-V62 HydrophobicContact CD2-CG2 4.12Å; L60-V62 HydrophobicContact CG-CG2 3.7Å; V62-L81 HydrophobicContact CB-CD1 4.33Å; V62-L81 HydrophobicContact CG1-CD1 4.15Å; V62-L81 HydrophobicContact CG2-CD1 3.48Å; V62-L81 VanDerWaalsContact CG2-CD1 3.48Å; V62-D100 PolarHBondContact N-O 3.31Å; V62-L104 HydrophobicContact CB-CD1 4.32Å; V62-L104 HydrophobicContact CG1-CD1 4.1Å; V62-L104 HydrophobicContact CG1-CD2 4.18Å; V62-L104 WeakPolarHBondContact O-CD2 3.34Å
63G71.1Confident76.4Confident11 Ų1173.6 Ų73.611%0.11338%0.378CS..  trans-100.4173.2173.900000114.4R61 C102R61-G63 VanDerWaalsContact CG-O 3.29Å; R61-G63 WeakPolarHBondContact CG-O 3.39Å; G63-C102 CarbonylContact C-O 3.47Å; G63-C102 WeakPolarHBondContact CA-O 3.46Å
64G67.8Low76.3Confident39 Ų3972.8 Ų72.840%0.40238%0.376SS..SBendtrans126.4-173.8179.200000113.9R66 C102G64-R66 PolarHBondContact O-N 3.42Å; G64-R66 VanDerWaalsContact O-N 3.16Å; G64-C102 PolarHBondContact N-O 3.05Å
65R57.4Low76.3Confident181 Ų18175.7 Ų75.768%0.68339%0.388SS*.  trans-63.5113.8-179.1-135.9175.3-164.1-102.9-0.4109.8D558R65-D558 VanDerWaalsContact CZ-OXT 3.25Å; R65-D558 PolarHBondContact NH1-OXT 3.27Å; R65-D558 PolarHBondContact NH2-OXT 3.18Å
66R64.7Low76.2Confident91 Ų9179.7 Ų79.734%0.34341%0.41SS..PPolyproline II helixtrans-77.1148-180-65.9173.1-170.6-80.7-11.6109.9G64 Q70 T71 A72 P73G64-R66 PolarHBondContact O-N 3.42Å; G64-R66 VanDerWaalsContact O-N 3.16Å; R66-Q70 HydrophobicContact CB-CB 4.25Å; R66-T71 PolarHBondContact NH1-O 3.26Å; R66-A72 VanDerWaalsContact CZ-CA 3.49Å; R66-A72 VanDerWaalsContact NH1-CA 3.3Å; R66-P73 VanDerWaalsContact NH1-CD 3.31Å
67K57.9Low76.3Confident156 Ų15678.9 Ų78.968%0.67840%0.404SS*.PPolyproline II helixtrans-69.1147168.2-66.5177.1-178.7171.70109.1G69 Q70K67-G69 PolarHBondContact O-N 3.44Å; K67-G69 VanDerWaalsContact O-N 3.15Å; K67-Q70 HydrophobicContact CB-CG 4.29Å; K67-Q70 VanDerWaalsContact N-OE1 3.17Å; K67-Q70 WeakPolarHBondContact O-CB 3.4Å; K67-Q70 PolarHBondContact O-N 3.2Å
68T49.8Very low76.4Confident146 Ų14674.6 Ų74.690%0.89639%0.385SS*.THydrogen-bonded Turntrans-50.5119.6177.7-27.90000110.1
69G55Low76.4Confident73 Ų7370.4 Ų70.475%0.75337%0.372SS*.THydrogen-bonded Turntrans92.61.2-17800000116.8K67K67-G69 PolarHBondContact O-N 3.44Å; K67-G69 VanDerWaalsContact O-N 3.15Å
70Q64.4Low76.5Confident84 Ų8467.7 Ų67.739%0.39336%0.357SS..PPolyproline II helixtrans-84.2123.8171.3-76.5-177.4-27.200111.8R66 K67R66-Q70 HydrophobicContact CB-CB 4.25Å; K67-Q70 HydrophobicContact CB-CG 4.29Å; K67-Q70 VanDerWaalsContact N-OE1 3.17Å; K67-Q70 WeakPolarHBondContact O-CB 3.4Å; K67-Q70 PolarHBondContact O-N 3.2Å
71T65.6Low76.6Confident89 Ų8967.6 Ų67.655%0.54636%0.357SS..PPolyproline II helixtrans-76153.1176.850.70000112.3R66R66-T71 PolarHBondContact NH1-O 3.26Å
72A73.1Confident76.8Confident39 Ų3960.3 Ų60.332%0.32233%0.33SS..PPolyproline II helixtrans-60.4139171.300000111.9R66 S74 P114R66-A72 VanDerWaalsContact CZ-CA 3.49Å; R66-A72 VanDerWaalsContact NH1-CA 3.3Å; A72-S74 PolarHBondContact O-N 2.91Å; A72-P114 HydrophobicContact CB-CB 3.79Å
73P83.1Confident77.2Confident5 Ų563 Ų633%0.03234%0.343CS..PPolyproline II helixtrans-62.4134.5172.128.1-30.5000108.1F40 R66 I78 L104F40-P73 HydrophobicContact CB-CB 4.12Å; F40-P73 HydrophobicContact CD1-CB 3.33Å; F40-P73 HydrophobicContact CD1-CG 4.5Å; F40-P73 HydrophobicContact CE1-CB 3.79Å; F40-P73 HydrophobicContact CG-CB 3.79Å; R66-P73 VanDerWaalsContact NH1-CD 3.31Å; P73-I78 HydrophobicContact CB-CG1 4.29Å; P73-I78 HydrophobicContact CG-CD1 4.15Å; P73-I78 HydrophobicContact CG-CG1 4.1Å; P73-L104 HydrophobicContact CG-CD2 3.86Å
74S86.9Confident78.2Confident19 Ų1962.6 Ų62.613%0.13334%0.338CS..BIsolated β-bridgetrans-63.1154.7-177.968.80000111.7A72 L76 C77 I78A72-S74 PolarHBondContact O-N 2.91Å; S74-L76 PolarHBondContact O-N 2.98Å; S74-L76 VanDerWaalsContact O-N 3.15Å; S74-C77 WeakPolarHBondContact O-CB 3.28Å; S74-C77 PolarHBondContact O-N 3.1Å; S74-C77 PolarHBondContact OG-SG 2.88Å; S74-I78 PolarHBondContact O-N 3.26Å; S74-I78 VanDerWaalsContact O-N 3.11Å
75R88.4Confident79.4Confident103 Ų10360.9 Ų60.939%0.38932%0.32SS..Hα-helixtrans-47.5-43.7175.5-177.2-179.1177.6159.91.6113.2I78 Q79 D113 M115R75-I78 PolarHBondContact O-N 2.95Å; R75-Q79 WeakPolarHBondContact O-CG 3.5Å; R75-Q79 PolarHBondContact O-N 3.42Å; R75-D113 PolarHBondContact N-O 3.44Å; R75-D113 VanDerWaalsContact N-O 3.15Å; R75-M115 HydrophobicContact CB-CB 4.44Å; R75-M115 HydrophobicContact CB-CE 4.49Å; R75-M115 HydrophobicContact CG-CB 4.36Å; R75-M115 HydrophobicContact CG-CE 3.69Å; R75-M115 HydrophobicContact CG-CG 4.42Å; R75-M115 WeakPolarHBondContact O-CE 3.39Å
76L89.4Confident81.1Confident102 Ų10253.7 Ų53.753%0.53430%0.296SS..Hα-helixtrans-65.4-38.4179.3-64.5176.8000112.6P45 S74 Q79 A80P45-L76 HydrophobicContact CB-CB 4.15Å; P45-L76 HydrophobicContact CG-CB 4.23Å; S74-L76 PolarHBondContact O-N 2.98Å; S74-L76 VanDerWaalsContact O-N 3.15Å; L76-Q79 PolarHBondContact O-N 3.1Å; L76-A80 WeakPolarHBondContact O-CB 3.29Å; L76-A80 PolarHBondContact O-N 3.37Å
77C90.1Very high82.2Confident0 Ų056.8 Ų56.80%031%0.308CS..Hα-helixtrans-66.8-40.3177.8-67.30000111.4F40 V48 S74 A80 L81F40-C77 HydrophobicContact CD1-CB 3.67Å; F40-C77 HydrophobicContact CE1-CB 3.8Å; V48-C77 HydrophobicContact CG2-CB 4.14Å; S74-C77 WeakPolarHBondContact O-CB 3.28Å; S74-C77 PolarHBondContact O-N 3.1Å; S74-C77 PolarHBondContact OG-SG 2.88Å; C77-A80 PolarHBondContact O-N 2.87Å; C77-L81 WeakPolarHBondContact O-CB 3.31Å; C77-L81 PolarHBondContact O-N 2.91Å
78I91.1Very high83.5Confident5 Ų549.6 Ų49.63%0.02628%0.278CS..Hα-helixtrans-64.4-44.7175.4-63169.4000110.4P73 S74 R75 A80 L81 L82 M115 L120P73-I78 HydrophobicContact CB-CG1 4.29Å; P73-I78 HydrophobicContact CG-CD1 4.15Å; P73-I78 HydrophobicContact CG-CG1 4.1Å; S74-I78 PolarHBondContact O-N 3.26Å; S74-I78 VanDerWaalsContact O-N 3.11Å; R75-I78 PolarHBondContact O-N 2.95Å; I78-A80 VanDerWaalsContact C-N 3.34Å; I78-A80 PolarHBondContact O-N 3Å; I78-L81 WeakPolarHBondContact O-CB 3.39Å; I78-L81 PolarHBondContact O-N 3.18Å; I78-L82 HydrophobicContact CG2-CD1 4.25Å; I78-L82 HydrophobicContact CG2-CG 4.46Å; I78-L82 WeakPolarHBondContact O-CG 3.48Å; I78-L82 PolarHBondContact O-N 3.41Å; I78-M115 HydrophobicContact CB-CE 3.82Å; I78-M115 HydrophobicContact CB-SD 4.36Å; I78-M115 HydrophobicContact CD1-CB 3.63Å; I78-M115 HydrophobicContact CG2-CE 3.72Å; I78-M115 HydrophobicContact CG2-SD 3.75Å; I78-L120 HydrophobicContact CG2-CD1 3.77Å
79Q92.3Very high85.2Confident74 Ų7444.7 Ų44.735%0.34625%0.246SC..Hα-helixtrans-60-44.5175.9-72.1178-27.900112R75 L76 L81 L82 L83 M115R75-Q79 WeakPolarHBondContact O-CG 3.5Å; R75-Q79 PolarHBondContact O-N 3.42Å; L76-Q79 PolarHBondContact O-N 3.1Å; Q79-L81 VanDerWaalsContact C-N 3.33Å; Q79-L81 PolarHBondContact O-N 2.93Å; Q79-L82 PolarHBondContact O-N 3.11Å; Q79-L83 WeakPolarHBondContact O-CB 3.29Å; Q79-L83 VanDerWaalsContact O-CG 3.3Å; Q79-L83 WeakPolarHBondContact O-CG 3.3Å; Q79-L83 PolarHBondContact O-N 3.32Å; Q79-M115 HydrophobicContact CG-CE 3.55Å
80A92.1Very high86.4Confident18 Ų1845.4 Ų45.415%0.14925%0.245CC..Hα-helixtrans-62.5-40.3177.100000112.1P45 L76 C77 I78 L83 A84P45-A80 HydrophobicContact CB-CB 3.81Å; P45-A80 WeakPolarHBondContact O-CB 3.45Å; L76-A80 WeakPolarHBondContact O-CB 3.29Å; L76-A80 PolarHBondContact O-N 3.37Å; C77-A80 PolarHBondContact O-N 2.87Å; I78-A80 VanDerWaalsContact C-N 3.34Å; I78-A80 PolarHBondContact O-N 3Å; A80-L83 PolarHBondContact O-N 3.31Å; A80-A84 WeakPolarHBondContact O-CB 3.43Å; A80-A84 PolarHBondContact O-N 2.91Å
81L94.2Very high87Confident2 Ų243.3 Ų43.31%0.0124%0.236CC..Hα-helixtrans-59-51.4173.6176147.3000111.6F40 V48 V52 L60 V62 C77 I78 Q79 L83 A84 V85 L99F40-L81 HydrophobicContact CZ-CD1 3.87Å; V48-L81 HydrophobicContact CG1-CB 3.83Å; V52-L81 HydrophobicContact CG1-CG 4.27Å; V52-L81 HydrophobicContact CG2-CD1 4.06Å; V52-L81 HydrophobicContact CG2-CG 4.09Å; L60-L81 HydrophobicContact CD2-CD1 4.18Å; V62-L81 HydrophobicContact CB-CD1 4.33Å; V62-L81 HydrophobicContact CG1-CD1 4.15Å; V62-L81 HydrophobicContact CG2-CD1 3.48Å; V62-L81 VanDerWaalsContact CG2-CD1 3.48Å; C77-L81 WeakPolarHBondContact O-CB 3.31Å; C77-L81 PolarHBondContact O-N 2.91Å; I78-L81 WeakPolarHBondContact O-CB 3.39Å; I78-L81 PolarHBondContact O-N 3.18Å; Q79-L81 VanDerWaalsContact C-N 3.33Å; Q79-L81 PolarHBondContact O-N 2.93Å; L81-L83 VanDerWaalsContact C-N 3.34Å; L81-L83 PolarHBondContact O-N 3.23Å; L81-A84 WeakPolarHBondContact O-CB 3.35Å; L81-A84 PolarHBondContact O-N 3.34Å; L81-A84 VanDerWaalsContact O-N 3.17Å; L81-V85 WeakPolarHBondContact O-CG2 3.45Å; L81-V85 PolarHBondContact O-N 3.3Å; L81-L99 HydrophobicContact CD2-CD1 4.1Å; L81-L99 HydrophobicContact CD2-CD2 4.15Å
82L94.3Very high87.4Confident7 Ų748.5 Ų48.54%0.03725%0.254CS..Hα-helixtrans-63.2-41.5-178.3-63.9176.5000111.4I78 Q79 A84 V85 V86 L99 L120 A123 L124 M127I78-L82 HydrophobicContact CG2-CD1 4.25Å; I78-L82 HydrophobicContact CG2-CG 4.46Å; I78-L82 WeakPolarHBondContact O-CG 3.48Å; I78-L82 PolarHBondContact O-N 3.41Å; Q79-L82 PolarHBondContact O-N 3.11Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 2.98Å; L82-V85 PolarHBondContact O-N 2.94Å; L82-V86 PolarHBondContact O-N 2.98Å; L82-L99 HydrophobicContact CD2-CD2 4.27Å; L82-L120 HydrophobicContact CD1-CD1 4.42Å; L82-A123 HydrophobicContact CD1-CB 3.59Å; L82-L124 HydrophobicContact CD1-CD2 4.47Å; L82-L124 HydrophobicContact CD2-CD2 3.66Å; L82-M127 HydrophobicContact CB-CG 4.36Å; L82-M127 HydrophobicContact CB-SD 3.88Å; L82-M127 HydrophobicContact CD2-CE 4.2Å; L82-M127 HydrophobicContact CD2-SD 3.61Å; L82-M127 HydrophobicContact CG-SD 4.31Å
83L93Very high87.5Confident78 Ų7854.2 Ų54.241%0.40827%0.268SS..Hα-helixtrans-64.1-39174.9-72.3170.6000112.3Q79 A80 L81 V86 R87Q79-L83 WeakPolarHBondContact O-CB 3.29Å; Q79-L83 VanDerWaalsContact O-CG 3.3Å; Q79-L83 WeakPolarHBondContact O-CG 3.3Å; Q79-L83 PolarHBondContact O-N 3.32Å; A80-L83 PolarHBondContact O-N 3.31Å; L81-L83 VanDerWaalsContact C-N 3.34Å; L81-L83 PolarHBondContact O-N 3.23Å; L83-V86 PolarHBondContact O-N 3.25Å; L83-R87 WeakPolarHBondContact O-CG 3.43Å; L83-R87 PolarHBondContact O-N 2.95Å
84A92Very high87.5Confident3 Ų355.4 Ų55.43%0.02528%0.276CS..Hα-helixtrans-66.9-35.9178.300000112.7G49 V52 Q53 A80 L81 L82 R87 G88G49-A84 WeakPolarHBondContact O-CB 3.42Å; V52-A84 HydrophobicContact CB-CB 3.89Å; V52-A84 HydrophobicContact CG1-CB 3.95Å; Q53-A84 HydrophobicContact CB-CB 4.29Å; A80-A84 WeakPolarHBondContact O-CB 3.43Å; A80-A84 PolarHBondContact O-N 2.91Å; L81-A84 WeakPolarHBondContact O-CB 3.35Å; L81-A84 PolarHBondContact O-N 3.34Å; L81-A84 VanDerWaalsContact O-N 3.17Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 2.98Å; A84-R87 PolarHBondContact O-N 3.03Å; A84-G88 PolarHBondContact O-N 3.48Å
85V93Very high87.5Confident4 Ų456.4 Ų56.42%0.02429%0.286CS..Hα-helixtrans-60.7-46.6173.2172.60000110.3V52 L81 L82 R87 G88 L89 L96 L99 M127 L258V52-V85 HydrophobicContact CG1-CG2 3.65Å; L81-V85 WeakPolarHBondContact O-CG2 3.45Å; L81-V85 PolarHBondContact O-N 3.3Å; L82-V85 PolarHBondContact O-N 2.94Å; V85-R87 VanDerWaalsContact C-N 3.33Å; V85-R87 PolarHBondContact O-N 3.33Å; V85-G88 PolarHBondContact O-N 3.23Å; V85-L89 WeakPolarHBondContact O-CG 3.23Å; V85-L89 PolarHBondContact O-N 3.34Å; V85-L96 HydrophobicContact CG1-CD2 4.41Å; V85-L96 HydrophobicContact CG2-CD2 3.99Å; V85-L99 HydrophobicContact CG2-CD2 4.03Å; V85-M127 HydrophobicContact CB-SD 4.35Å; V85-M127 HydrophobicContact CG1-SD 4.36Å; V85-L258 HydrophobicContact CG1-CD2 4.26Å
86V91.6Very high87.7Confident30 Ų3052 Ų5218%0.18227%0.27CS..Hα-helixtrans-61.8-40.7177.3179.60000111.7L82 L83 L89 M127 A131 L258L82-V86 PolarHBondContact O-N 2.98Å; L83-V86 PolarHBondContact O-N 3.25Å; V86-L89 WeakPolarHBondContact O-CB 3.28Å; V86-M127 HydrophobicContact CG2-CB 4.35Å; V86-M127 HydrophobicContact CG2-CG 3.28Å; V86-M127 HydrophobicContact CG2-SD 4.4Å; V86-A131 HydrophobicContact CG1-CB 4.35Å; V86-A131 HydrophobicContact CG2-CB 4.44Å; V86-L258 HydrophobicContact CG2-CD1 4.2Å
87R88Confident87.8Confident156 Ų15651.6 Ų51.659%0.58927%0.265SS*.Hα-helixtrans-67.6-38.8175.9-70.9176.2-179174.41.6112.2Q53 L83 A84 V85 L89 A90Q53-R87 HydrophobicContact CG-CB 4.42Å; L83-R87 WeakPolarHBondContact O-CG 3.43Å; L83-R87 PolarHBondContact O-N 2.95Å; A84-R87 PolarHBondContact O-N 3.03Å; V85-R87 VanDerWaalsContact C-N 3.33Å; V85-R87 PolarHBondContact O-N 3.33Å; R87-L89 PolarHBondContact O-N 3.48Å; R87-A90 PolarHBondContact O-N 2.99Å
88G86.1Confident88Confident4 Ų452.6 Ų52.64%0.04127%0.271CS..Hα-helixtrans-64.6-22.7179.300000113.5A84 V85 A90 D91A84-G88 PolarHBondContact O-N 3.48Å; V85-G88 PolarHBondContact O-N 3.23Å; G88-A90 PolarHBondContact O-N 3.26Å; G88-D91 PolarHBondContact O-N 3.21Å
89L85.4Confident88.1Confident44 Ų4452.4 Ų52.423%0.2327%0.27CS..THydrogen-bonded Turntrans-59.4-27.4173.7-65.1174.2000113.6V85 V86 R87 A131 L231 V232 P257 L258V85-L89 WeakPolarHBondContact O-CG 3.23Å; V85-L89 PolarHBondContact O-N 3.34Å; V86-L89 WeakPolarHBondContact O-CB 3.28Å; R87-L89 PolarHBondContact O-N 3.48Å; L89-A131 HydrophobicContact CD1-CB 3.76Å; L89-L231 HydrophobicContact CD2-CB 4.04Å; L89-L231 HydrophobicContact CD2-CD1 4.25Å; L89-V232 HydrophobicContact CD2-CG2 3.65Å; L89-P257 HydrophobicContact CD1-CB 4.18Å; L89-P257 HydrophobicContact CD1-CG 3.95Å; L89-P257 HydrophobicContact CD2-CB 4.47Å; L89-L258 HydrophobicContact CD1-CD1 4.28Å; L89-L258 HydrophobicContact CD1-CD2 3.93Å; L89-L258 HydrophobicContact CD1-CG 3.88Å; L89-L258 HydrophobicContact CD2-CD2 3.85Å; L89-L258 HydrophobicContact CG-CD2 4.32Å
90A79.6Confident88.1Confident88 Ų8849 Ų4973%0.72725%0.254SS*.THydrogen-bonded Turntrans-92.7-7.6176.800000112.9R87 G88R87-A90 PolarHBondContact O-N 2.99Å; G88-A90 PolarHBondContact O-N 3.26Å
91D78.6Confident88Confident40 Ų4048.2 Ų48.221%0.21425%0.247CC..  trans-98.2117.1-176.2-164.6-21.4000110.3G88 R93 S94G88-D91 PolarHBondContact O-N 3.21Å; D91-R93 PolarHBondContact O-N 3.05Å; D91-R93 WeakPolarHBondContact OD1-CB 3.4Å; D91-R93 WeakPolarHBondContact OD1-CG 3.46Å; D91-R93 PolarHBondContact OD1-N 3.19Å; D91-S94 PolarHBondContact O-N 3.24Å
92Q72.8Confident87.7Confident198 Ų19848.8 Ų48.893%0.92525%0.252SS*.THydrogen-bonded Turntrans-63.9-12.4178.7-68.2-179.7-1800113.5
93R75.2Confident87Confident159 Ų15950.1 Ų50.160%0.627%0.267SS*.THydrogen-bonded Turntrans-86.7-15.4-179.9-59.9178.5-177.5-167.8-0.5113.4D91 A95D91-R93 PolarHBondContact O-N 3.05Å; D91-R93 WeakPolarHBondContact OD1-CB 3.4Å; D91-R93 WeakPolarHBondContact OD1-CG 3.46Å; D91-R93 PolarHBondContact OD1-N 3.19Å; R93-A95 PolarHBondContact O-N 3.03Å
94S82.8Confident86.2Confident30 Ų3046.8 Ų46.821%0.2125%0.25CC..  trans-76.6122.1175.6-174.50000109.4D91 L96D91-S94 PolarHBondContact O-N 3.24Å; S94-L96 PolarHBondContact OG-N 3.29Å
95A87.6Confident85.2Confident40 Ų4048.9 Ų48.933%0.33126%0.259SS..  trans-94.1-0173.300000112.4W55 P56 E57 R58 R93 Q97W55-A95 PolarHBondContact O-N 3.32Å; P56-A95 WeakPolarHBondContact O-CB 3.41Å; E57-A95 CarbonylContact O-C 3.46Å; R58-A95 WeakPolarHBondContact CA-O 3.14Å; R93-A95 PolarHBondContact O-N 3.03Å; A95-Q97 PolarHBondContact O-N 2.93Å
96L92.3Very high83.4Confident10 Ų1051.4 Ų51.45%0.05229%0.286CS..  trans-63.2127-171.6-174.467000111.2E57 L60 V85 S94 V98 V232E57-L96 WeakPolarHBondContact O-CA 3.07Å; E57-L96 PolarHBondContact O-N 3.13Å; L60-L96 HydrophobicContact CB-CD1 3.54Å; V85-L96 HydrophobicContact CG1-CD2 4.41Å; V85-L96 HydrophobicContact CG2-CD2 3.99Å; S94-L96 PolarHBondContact OG-N 3.29Å; L96-V98 WeakPolarHBondContact CD1-O 3.39Å; L96-V232 HydrophobicContact CD2-CG1 4.42Å; L96-V232 HydrophobicContact CG-CG1 4.31Å; L96-V232 WeakPolarHBondContact O-CG2 3.5Å
97Q92.3Very high81.2Confident94 Ų9456.3 Ų56.344%0.43931%0.311SS..  trans-123.3-26.7176-67.8177.9-8.300112R58 A95 V232 Q233R58-Q97 PolarHBondContact O-N 3.2Å; A95-Q97 PolarHBondContact O-N 2.93Å; Q97-V232 CarbonylContact O-C 3.58Å; Q97-V232 VanDerWaalsContact O-CA 3.32Å; Q97-V232 WeakPolarHBondContact O-CA 3.4Å; Q97-Q233 PolarHBondContact O-N 2.77Å
98V92.9Very high79Confident21 Ų2158.3 Ų58.313%0.12733%0.327CS..EExtended strand (participates in β ladder)trans-131.5118.6179.7-177.70000110.1R58 T59 L60 L96 Q233R58-V98 PolarHBondContact O-N 3.16Å; T59-V98 CarbonylContact C-O 3.56Å; T59-V98 VanDerWaalsContact CA-O 3.31Å; T59-V98 WeakPolarHBondContact CA-O 3.49Å; T59-V98 HydrophobicContact CG2-CB 4.15Å; T59-V98 HydrophobicContact CG2-CG1 4.27Å; L60-V98 PolarHBondContact N-O 3.28Å; L96-V98 WeakPolarHBondContact CD1-O 3.39Å; V98-Q233 CarbonylContact C-O 3.57Å; V98-Q233 WeakPolarHBondContact CA-O 3.14Å
99L93.9Very high76.8Confident0 Ų061.5 Ų61.50%036%0.359CS..EExtended strand (participates in β ladder)trans-102.7115.9168.6176.766.8000108.9L60 L81 L82 V85 V101 V232 Q233 V234 R235L60-L99 HydrophobicContact CB-CD1 4.2Å; L60-L99 HydrophobicContact CD2-CD1 3.92Å; L60-L99 HydrophobicContact CG-CD1 4Å; L81-L99 HydrophobicContact CD2-CD1 4.1Å; L81-L99 HydrophobicContact CD2-CD2 4.15Å; L82-L99 HydrophobicContact CD2-CD2 4.27Å; V85-L99 HydrophobicContact CG2-CD2 4.03Å; L99-V101 HydrophobicContact CD1-CG1 4.1Å; L99-V101 HydrophobicContact CD2-CG1 4.25Å; L99-V101 HydrophobicContact CG-CG1 3.97Å; L99-V232 HydrophobicContact CB-CG1 4.36Å; L99-Q233 PolarHBondContact N-O 2.99Å; L99-V234 HydrophobicContact CB-CG2 4.39Å; L99-V234 HydrophobicContact CD2-CG1 4.14Å; L99-V234 HydrophobicContact CD2-CG2 4.4Å; L99-V234 CarbonylContact O-C 3.49Å; L99-V234 WeakPolarHBondContact O-CA 3.31Å; L99-R235 PolarHBondContact O-N 3.2Å
100D92Very high74.7Confident3 Ų362 Ų622%0.01638%0.376CS..EExtended strand (participates in β ladder)trans-108.2105.6178.1-166.5-7.7000110L60 R61 V62 C102 R263L60-D100 PolarHBondContact O-N 3.21Å; R61-D100 WeakPolarHBondContact CA-O 3.49Å; R61-D100 HydrophobicContact CB-CB 4.16Å; R61-D100 HydrophobicContact CG-CB 4.2Å; R61-D100 IonicContact CZ-OD2 3.23Å; R61-D100 IonicContact NE-OD2 3.7Å; R61-D100 PolarHBondContact NE-OD2 3.31Å; R61-D100 IonicContact NH2-OD2 3.04Å; R61-D100 PolarHBondContact NH2-OD2 3.41Å; V62-D100 PolarHBondContact N-O 3.31Å; D100-C102 WeakPolarHBondContact OD1-CB 3.37Å; D100-C102 PolarHBondContact OD1-N 3.39Å; D100-R263 IonicContact OD1-NH1 2.71Å; D100-R263 PolarHBondContact OD1-NH1 3.23Å; D100-R263 IonicContact OD2-CZ 2.98Å; D100-R263 IonicContact OD2-NH1 2.6Å; D100-R263 PolarHBondContact OD2-NH1 3.15Å; D100-R263 IonicContact OD2-NH2 3.43Å
101V90.6Very high72.8Confident1 Ų167.4 Ų67.41%0.00639%0.388CS..  trans-111.412.2178.9-69.30000112.3L99 L104 L124 V234 R235 A236L99-V101 HydrophobicContact CD1-CG1 4.1Å; L99-V101 HydrophobicContact CD2-CG1 4.25Å; L99-V101 HydrophobicContact CG-CG1 3.97Å; V101-L104 HydrophobicContact CB-CD1 3.74Å; V101-L104 HydrophobicContact CB-CG 4.44Å; V101-L104 HydrophobicContact CG1-CD1 3.85Å; V101-L104 WeakPolarHBondContact O-CB 3.44Å; V101-L104 PolarHBondContact O-N 3.48Å; V101-L124 HydrophobicContact CG2-CD1 4.29Å; V101-L124 HydrophobicContact CG2-CD2 4.15Å; V101-V234 HydrophobicContact CG2-CG1 4.5Å; V101-R235 WeakPolarHBondContact CG2-O 3.37Å; V101-R235 PolarHBondContact N-O 2.91Å; V101-A236 HydrophobicContact CG2-CB 3.6Å
102C87.2Confident71.7Confident15 Ų1568.5 Ų68.510%0.10141%0.409CS..THydrogen-bonded Turntrans-61.2141.4174.3-69.50000111.6G63 G64 D100 L104 A236 D237G63-C102 CarbonylContact C-O 3.47Å; G63-C102 WeakPolarHBondContact CA-O 3.46Å; G64-C102 PolarHBondContact N-O 3.05Å; D100-C102 WeakPolarHBondContact OD1-CB 3.37Å; D100-C102 PolarHBondContact OD1-N 3.39Å; C102-L104 VanDerWaalsContact C-N 3.26Å; C102-L104 PolarHBondContact O-N 2.96Å; C102-A236 VanDerWaalsContact SG-C 3.53Å; C102-A236 VanDerWaalsContact SG-CA 3.6Å; C102-D237 WeakPolarHBondContact CA-OD2 3.21Å; C102-D237 PolarHBondContact SG-OD1 3.41Å
103G79.6Confident71.1Confident35 Ų3563.9 Ų63.936%0.36139%0.391SS..THydrogen-bonded Turntrans71.814.3-177.200000114.4Q105 D237G103-Q105 VanDerWaalsContact C-N 3.3Å; G103-D237 PolarHBondContact N-OD2 2.92Å
104L77.4Confident70.9Confident8 Ų858.8 Ų58.84%0.04238%0.378CS..  trans-76.8-20.2168.3-84.2-176.1000113.4V62 P73 V101 C102 G106 L120V62-L104 HydrophobicContact CB-CD1 4.32Å; V62-L104 HydrophobicContact CG1-CD1 4.1Å; V62-L104 HydrophobicContact CG1-CD2 4.18Å; V62-L104 WeakPolarHBondContact O-CD2 3.34Å; P73-L104 HydrophobicContact CG-CD2 3.86Å; V101-L104 HydrophobicContact CB-CD1 3.74Å; V101-L104 HydrophobicContact CB-CG 4.44Å; V101-L104 HydrophobicContact CG1-CD1 3.85Å; V101-L104 WeakPolarHBondContact O-CB 3.44Å; V101-L104 PolarHBondContact O-N 3.48Å; C102-L104 VanDerWaalsContact C-N 3.26Å; C102-L104 PolarHBondContact O-N 2.96Å; L104-G106 PolarHBondContact O-N 3.25Å; L104-L120 HydrophobicContact CB-CD2 3.96Å
105Q70Confident70.7Confident46 Ų4657.6 Ų57.622%0.21537%0.369CS..  trans-82.3103.8179.6-50-177.613.400106.9G103 G117 L120 D237G103-Q105 VanDerWaalsContact C-N 3.3Å; Q105-G117 VanDerWaalsContact OE1-CA 3.31Å; Q105-L120 HydrophobicContact CG-CD2 3.85Å; Q105-D237 PolarHBondContact NE2-O 2.86Å
106G55.5Low70.3Confident57 Ų5757.3 Ų57.359%0.58837%0.37SS*.  trans-80.3148.7167.400000109.9L104L104-G106 PolarHBondContact O-N 3.25Å
107D45.1Very low69.7Low133 Ų13357.5 Ų57.571%0.71138%0.375SS*.  trans-63.2151.3162.2-98.6-25000109.6G109 R266D107-G109 PolarHBondContact O-N 3.49Å; D107-R266 IonicContact OD1-NH1 2.88Å
108E42.1Very low69.3Low199 Ų19958.3 Ų58.393%0.9337%0.373SS*.THydrogen-bonded Turntrans-66.223-160.8-61.2-155.6147.900116.9
109G40.4Very low69.1Low70 Ų7058.4 Ų58.472%0.72238%0.375SS*.THydrogen-bonded Turntrans-109.2-0.6-174.300000117.2D107D107-G109 PolarHBondContact O-N 3.49Å
110G40.9Very low68.9Low56 Ų5658.5 Ų58.558%0.57738%0.376SS*.SBendtrans-85.5136.4-174.200000115G112G110-G112 PolarHBondContact O-N 2.88Å; G110-G112 VanDerWaalsContact O-N 3.09Å
111M39.7Very low68.8Low201 Ų20158.4 Ų58.499%0.9938%0.375SS*.SBendtrans-62.2106.1171.6-165.375.5174.300111.2
112G54.8Low68.9Low62 Ų6259.7 Ų59.764%0.63938%0.383SS*.SBendtrans158.5-173.417700000114.4G110 P114G110-G112 PolarHBondContact O-N 2.88Å; G110-G112 VanDerWaalsContact O-N 3.09Å; G112-P114 WeakPolarHBondContact O-CD 3.4Å
113D61.4Low69.2Low102 Ų10260 Ų6055%0.54539%0.386SS..  trans-110.262.4165.9179.434000110.8R75R75-D113 PolarHBondContact N-O 3.44Å; R75-D113 VanDerWaalsContact N-O 3.15Å
114P71.4Confident69.9Low51 Ų5158.3 Ų58.333%0.33137%0.369SS..BIsolated β-bridgetrans-68145.2173.730.1-33.7000110.2A72 G112 G116A72-P114 HydrophobicContact CB-CB 3.79Å; G112-P114 WeakPolarHBondContact O-CD 3.4Å; P114-G116 PolarHBondContact O-N 3.49Å; P114-G116 VanDerWaalsContact O-N 3.12Å
115M76.9Confident70.6Confident6 Ų658 Ų583%0.0337%0.368CS..  trans-69.6112.4173.2-172.4179.2-71.200109.7R75 I78 Q79 L120 A123R75-M115 HydrophobicContact CB-CB 4.44Å; R75-M115 HydrophobicContact CB-CE 4.49Å; R75-M115 HydrophobicContact CG-CB 4.36Å; R75-M115 HydrophobicContact CG-CE 3.69Å; R75-M115 HydrophobicContact CG-CG 4.42Å; R75-M115 WeakPolarHBondContact O-CE 3.39Å; I78-M115 HydrophobicContact CB-CE 3.82Å; I78-M115 HydrophobicContact CB-SD 4.36Å; I78-M115 HydrophobicContact CD1-CB 3.63Å; I78-M115 HydrophobicContact CG2-CE 3.72Å; I78-M115 HydrophobicContact CG2-SD 3.75Å; Q79-M115 HydrophobicContact CG-CE 3.55Å; M115-L120 HydrophobicContact CG-CB 4.1Å; M115-L120 WeakPolarHBondContact SD-CA 3.46Å; M115-L120 HydrophobicContact SD-CB 3.82Å; M115-L120 HydrophobicContact SD-CD1 3.86Å; M115-L120 HydrophobicContact SD-CG 4.47Å; M115-A123 HydrophobicContact SD-CB 4.33Å
116G79.6Confident71.7Confident34 Ų3458.5 Ų58.535%0.35137%0.374SS..  trans-56.9152.7175.300000112.8P114 W118 S119 L120P114-G116 PolarHBondContact O-N 3.49Å; P114-G116 VanDerWaalsContact O-N 3.12Å; G116-W118 VanDerWaalsContact C-N 3.27Å; G116-W118 PolarHBondContact O-N 3.04Å; G116-S119 WeakPolarHBondContact O-CB 3.31Å; G116-S119 PolarHBondContact O-N 3.35Å; G116-L120 PolarHBondContact O-N 3.31Å
117G80.8Confident73.6Confident14 Ų1456 Ų5614%0.14435%0.347CS..Hα-helixtrans-56.3-37-172.700000114.6Q105 T121Q105-G117 VanDerWaalsContact OE1-CA 3.31Å; G117-T121 WeakPolarHBondContact O-CB 3.42Å; G117-T121 PolarHBondContact O-N 3.47Å; G117-T121 PolarHBondContact O-OG1 3.04Å
118W82.9Confident75.9Confident110 Ų11049.8 Ų49.842%0.41731%0.314SS..Hα-helixtrans-62.3-48.8171.8171.277.7000112.8G116 L120 T121 V122 F239G116-W118 VanDerWaalsContact C-N 3.27Å; G116-W118 PolarHBondContact O-N 3.04Å; W118-L120 VanDerWaalsContact C-N 3.3Å; W118-L120 PolarHBondContact O-N 3.47Å; W118-T121 PolarHBondContact O-N 3.25Å; W118-V122 HydrophobicContact CZ2-CG2 4.22Å; W118-V122 WeakPolarHBondContact O-CG2 3.48Å; W118-V122 PolarHBondContact O-N 2.96Å; W118-F239 HydrophobicContact CB-CD1 3.61Å; W118-F239 HydrophobicContact CB-CE1 3.83Å; W118-F239 HydrophobicContact CG-CD1 4.4Å
119S87.8Confident78.2Confident24 Ų2443.4 Ų43.417%0.16829%0.285CS..Hα-helixtrans-62.2-40.4-179.5-710000111.2G116 V122 A123G116-S119 WeakPolarHBondContact O-CB 3.31Å; G116-S119 PolarHBondContact O-N 3.35Å; S119-V122 PolarHBondContact O-N 2.83Å; S119-A123 WeakPolarHBondContact O-CB 3.26Å; S119-A123 PolarHBondContact O-N 3.02Å
120L89.8Confident80.6Confident1 Ų144.2 Ų44.21%0.00527%0.271CS..Hα-helixtrans-63.1-45.3175.5-179.258.8000111.5I78 L82 L104 Q105 M115 G116 W118 V122 A123 L124I78-L120 HydrophobicContact CG2-CD1 3.77Å; L82-L120 HydrophobicContact CD1-CD1 4.42Å; L104-L120 HydrophobicContact CB-CD2 3.96Å; Q105-L120 HydrophobicContact CG-CD2 3.85Å; M115-L120 HydrophobicContact CG-CB 4.1Å; M115-L120 WeakPolarHBondContact SD-CA 3.46Å; M115-L120 HydrophobicContact SD-CB 3.82Å; M115-L120 HydrophobicContact SD-CD1 3.86Å; M115-L120 HydrophobicContact SD-CG 4.47Å; G116-L120 PolarHBondContact O-N 3.31Å; W118-L120 VanDerWaalsContact C-N 3.3Å; W118-L120 PolarHBondContact O-N 3.47Å; L120-V122 VanDerWaalsContact C-N 3.34Å; L120-V122 PolarHBondContact O-N 2.93Å; L120-A123 PolarHBondContact O-N 3.26Å; L120-L124 HydrophobicContact CD1-CD1 4.19Å; L120-L124 HydrophobicContact CD1-CG 4.18Å; L120-L124 HydrophobicContact CG-CD1 3.93Å; L120-L124 HydrophobicContact CG-CG 4.4Å; L120-L124 WeakPolarHBondContact O-CB 3.46Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.29Å; L120-L124 PolarHBondContact O-N 3.14Å
121T91.7Very high82.9Confident2 Ų241.7 Ų41.71%0.01224%0.244CC..Hα-helixtrans-58.6-45.9177.5-60.40000111.7G117 W118 A123 L124 C125 I238 F239 V248G117-T121 WeakPolarHBondContact O-CB 3.42Å; G117-T121 PolarHBondContact O-N 3.47Å; G117-T121 PolarHBondContact O-OG1 3.04Å; W118-T121 PolarHBondContact O-N 3.25Å; T121-A123 PolarHBondContact O-N 2.94Å; T121-L124 PolarHBondContact O-N 3.35Å; T121-C125 PolarHBondContact O-N 2.89Å; T121-C125 PolarHBondContact O-SG 2.98Å; T121-I238 HydrophobicContact CG2-CG2 3.76Å; T121-F239 WeakPolarHBondContact CG2-O 3.39Å; T121-F239 PolarHBondContact OG1-N 3.45Å; T121-F239 PolarHBondContact OG1-O 3.43Å; T121-V248 HydrophobicContact CG2-CG2 3.56Å
122V91.8Very high85.3Confident28 Ų2834.2 Ų34.217%0.1721%0.206CC..Hα-helixtrans-64.6-40.8177.71750000111.4W118 S119 L120 C125 T126W118-V122 HydrophobicContact CZ2-CG2 4.22Å; W118-V122 WeakPolarHBondContact O-CG2 3.48Å; W118-V122 PolarHBondContact O-N 2.96Å; S119-V122 PolarHBondContact O-N 2.83Å; L120-V122 VanDerWaalsContact C-N 3.34Å; L120-V122 PolarHBondContact O-N 2.93Å; V122-C125 PolarHBondContact O-N 3.47Å; V122-T126 WeakPolarHBondContact O-CB 3.42Å; V122-T126 PolarHBondContact O-N 3.28Å; V122-T126 PolarHBondContact O-OG1 3.04Å
123A93Very high86.8Confident20 Ų2033.3 Ų33.317%0.16519%0.193CC..Hα-helixtrans-64.2-41.4177.300000112L82 M115 S119 L120 T121 T126 M127L82-A123 HydrophobicContact CD1-CB 3.59Å; M115-A123 HydrophobicContact SD-CB 4.33Å; S119-A123 WeakPolarHBondContact O-CB 3.26Å; S119-A123 PolarHBondContact O-N 3.02Å; L120-A123 PolarHBondContact O-N 3.26Å; T121-A123 PolarHBondContact O-N 2.94Å; A123-T126 PolarHBondContact O-N 3.47Å; A123-M127 WeakPolarHBondContact O-CB 3.37Å; A123-M127 PolarHBondContact O-N 2.8Å
124L93.9Very high87.9Confident1 Ų129.9 Ų29.91%0.00518%0.182CC..Hα-helixtrans-63-45.7174.6-71.8166.9000111.9L82 V101 L120 T121 T126 M127 V128 V234 A236 L260L82-L124 HydrophobicContact CD1-CD2 4.47Å; L82-L124 HydrophobicContact CD2-CD2 3.66Å; V101-L124 HydrophobicContact CG2-CD1 4.29Å; V101-L124 HydrophobicContact CG2-CD2 4.15Å; L120-L124 HydrophobicContact CD1-CD1 4.19Å; L120-L124 HydrophobicContact CD1-CG 4.18Å; L120-L124 HydrophobicContact CG-CD1 3.93Å; L120-L124 HydrophobicContact CG-CG 4.4Å; L120-L124 WeakPolarHBondContact O-CB 3.46Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.29Å; L120-L124 PolarHBondContact O-N 3.14Å; T121-L124 PolarHBondContact O-N 3.35Å; L124-T126 VanDerWaalsContact C-N 3.31Å; L124-T126 PolarHBondContact O-N 2.92Å; L124-M127 HydrophobicContact CD2-CE 3.98Å; L124-M127 WeakPolarHBondContact O-CB 3.44Å; L124-M127 PolarHBondContact O-N 3.48Å; L124-V128 WeakPolarHBondContact O-CG2 3.44Å; L124-V128 PolarHBondContact O-N 3.14Å; L124-V128 VanDerWaalsContact O-N 3.08Å; L124-V234 HydrophobicContact CD2-CG1 3.81Å; L124-A236 HydrophobicContact CD1-CB 3.46Å; L124-A236 VanDerWaalsContact CD1-CB 3.46Å; L124-L260 HydrophobicContact CB-CD1 4.48Å
125C93.8Very high88.4Confident1 Ų128.1 Ų28.11%0.00717%0.172CC..Hα-helixtrans-60-44.2175.5-64.30000111.3T121 V122 M127 V128 I129 R247 A251T121-C125 PolarHBondContact O-N 2.89Å; T121-C125 PolarHBondContact O-SG 2.98Å; V122-C125 PolarHBondContact O-N 3.47Å; C125-M127 VanDerWaalsContact C-N 3.31Å; C125-M127 PolarHBondContact O-N 3.37Å; C125-V128 PolarHBondContact O-N 3.39Å; C125-I129 WeakPolarHBondContact O-CG1 3.35Å; C125-I129 PolarHBondContact O-N 3.46Å; C125-I129 VanDerWaalsContact O-N 3.12Å; C125-R247 HydrophobicContact CB-CB 4.38Å; C125-A251 HydrophobicContact CB-CB 3.76Å
126T93.3Very high88.6Confident56 Ų5630.2 Ų30.234%0.34418%0.181SC..Hα-helixtrans-61.2-41.7177.2-55.60000111.5V122 A123 L124 I129 Q130V122-T126 WeakPolarHBondContact O-CB 3.42Å; V122-T126 PolarHBondContact O-N 3.28Å; V122-T126 PolarHBondContact O-OG1 3.04Å; A123-T126 PolarHBondContact O-N 3.47Å; L124-T126 VanDerWaalsContact C-N 3.31Å; L124-T126 PolarHBondContact O-N 2.92Å; T126-I129 PolarHBondContact O-N 3.47Å; T126-Q130 HydrophobicContact CG2-CG 4.23Å; T126-Q130 WeakPolarHBondContact O-CB 3.48Å; T126-Q130 VanDerWaalsContact O-CG 3.23Å; T126-Q130 WeakPolarHBondContact O-CG 3.17Å; T126-Q130 PolarHBondContact O-N 3.36Å
127M94.1Very high88.7Confident4 Ų437 Ų372%0.0220%0.196CC..Hα-helixtrans-59.4-47.4177.4-174.2-16959.300111.8L82 V85 V86 A123 L124 C125 Q130 A131 V234 L258L82-M127 HydrophobicContact CB-CG 4.36Å; L82-M127 HydrophobicContact CB-SD 3.88Å; L82-M127 HydrophobicContact CD2-CE 4.2Å; L82-M127 HydrophobicContact CD2-SD 3.61Å; L82-M127 HydrophobicContact CG-SD 4.31Å; V85-M127 HydrophobicContact CB-SD 4.35Å; V85-M127 HydrophobicContact CG1-SD 4.36Å; V86-M127 HydrophobicContact CG2-CB 4.35Å; V86-M127 HydrophobicContact CG2-CG 3.28Å; V86-M127 HydrophobicContact CG2-SD 4.4Å; A123-M127 WeakPolarHBondContact O-CB 3.37Å; A123-M127 PolarHBondContact O-N 2.8Å; L124-M127 HydrophobicContact CD2-CE 3.98Å; L124-M127 WeakPolarHBondContact O-CB 3.44Å; L124-M127 PolarHBondContact O-N 3.48Å; C125-M127 VanDerWaalsContact C-N 3.31Å; C125-M127 PolarHBondContact O-N 3.37Å; M127-Q130 PolarHBondContact O-N 2.97Å; M127-A131 WeakPolarHBondContact O-CB 3.38Å; M127-A131 PolarHBondContact O-N 3.15Å; M127-V234 HydrophobicContact CE-CB 4.38Å; M127-V234 HydrophobicContact CE-CG1 4.02Å; M127-V234 HydrophobicContact CE-CG2 3.7Å; M127-L258 HydrophobicContact CE-CD1 4.01Å; M127-L258 HydrophobicContact CG-CD1 3.86Å; M127-L258 HydrophobicContact SD-CD1 4.16Å
128V93.1Very high88.4Confident3 Ų340.4 Ų40.42%0.01821%0.214CC..Hα-helixtrans-61-46.9178.3173.40000111L124 C125 Q130 A131 K132 T254 L258 L260L124-V128 WeakPolarHBondContact O-CG2 3.44Å; L124-V128 PolarHBondContact O-N 3.14Å; L124-V128 VanDerWaalsContact O-N 3.08Å; C125-V128 PolarHBondContact O-N 3.39Å; V128-Q130 PolarHBondContact O-N 2.9Å; V128-A131 PolarHBondContact O-N 3.42Å; V128-K132 PolarHBondContact O-N 3.41Å; V128-T254 HydrophobicContact CG1-CG2 4.13Å; V128-L258 HydrophobicContact CG2-CB 4.36Å; V128-L260 HydrophobicContact CG2-CB 4.29Å
129I91Very high87.9Confident65 Ų6539.6 Ų39.633%0.33322%0.215SC..Hα-helixtrans-64.7-42.2179.7-64.7166.7000111C125 T126 A131 K132 A133 L250C125-I129 WeakPolarHBondContact O-CG1 3.35Å; C125-I129 PolarHBondContact O-N 3.46Å; C125-I129 VanDerWaalsContact O-N 3.12Å; T126-I129 PolarHBondContact O-N 3.47Å; I129-A131 VanDerWaalsContact C-N 3.34Å; I129-A131 PolarHBondContact O-N 3.17Å; I129-K132 PolarHBondContact O-N 3.09Å; I129-A133 WeakPolarHBondContact O-CB 3.5Å; I129-A133 PolarHBondContact O-N 3.36Å; I129-L250 HydrophobicContact CD1-CD2 3.9Å; I129-L250 HydrophobicContact CD1-CG 4.43Å
130Q91.1Very high87.3Confident88 Ų8847.5 Ų47.541%0.41124%0.241SC..Hα-helixtrans-63.4-39.2176.3-76.7179.2-0.900112.1T126 M127 V128 A133 G134T126-Q130 HydrophobicContact CG2-CG 4.23Å; T126-Q130 WeakPolarHBondContact O-CB 3.48Å; T126-Q130 VanDerWaalsContact O-CG 3.23Å; T126-Q130 WeakPolarHBondContact O-CG 3.17Å; T126-Q130 PolarHBondContact O-N 3.36Å; M127-Q130 PolarHBondContact O-N 2.97Å; V128-Q130 PolarHBondContact O-N 2.9Å; Q130-A133 PolarHBondContact O-N 3.49Å; Q130-G134 PolarHBondContact O-N 3.36Å
131A89.5Confident86.5Confident3 Ų354.1 Ų54.13%0.02527%0.27CS..Hα-helixtrans-65.5-43.8177.100000112.1V86 L89 M127 V128 I129 A133 G134 A135 P257 L258V86-A131 HydrophobicContact CG1-CB 4.35Å; V86-A131 HydrophobicContact CG2-CB 4.44Å; L89-A131 HydrophobicContact CD1-CB 3.76Å; M127-A131 WeakPolarHBondContact O-CB 3.38Å; M127-A131 PolarHBondContact O-N 3.15Å; V128-A131 PolarHBondContact O-N 3.42Å; I129-A131 VanDerWaalsContact C-N 3.34Å; I129-A131 PolarHBondContact O-N 3.17Å; A131-A133 PolarHBondContact O-N 2.99Å; A131-G134 PolarHBondContact O-N 3.4Å; A131-A135 WeakPolarHBondContact O-CB 3.38Å; A131-A135 PolarHBondContact O-N 3.2Å; A131-P257 HydrophobicContact CB-CG 4.12Å; A131-L258 HydrophobicContact CB-CB 4.32Å; A131-L258 HydrophobicContact CB-CD1 3.42Å; A131-L258 VanDerWaalsContact CB-CD1 3.42Å; A131-L258 HydrophobicContact CB-CG 3.62Å
132K88.9Confident85.5Confident43 Ų4357.3 Ų57.319%0.18728%0.284CS..Hα-helixtrans-58.4-48.4172.2174.4171.6176.4179.50111V128 I129 G134 A135 H136 E223 T254 S255V128-K132 PolarHBondContact O-N 3.41Å; I129-K132 PolarHBondContact O-N 3.09Å; K132-G134 VanDerWaalsContact C-N 3.32Å; K132-G134 PolarHBondContact O-N 3.02Å; K132-A135 PolarHBondContact O-N 2.98Å; K132-H136 WeakPolarHBondContact CE-NE2 3.23Å; K132-H136 PolarHBondContact O-CD2 2.83Å; K132-H136 VanDerWaalsContact O-CD2 3.31Å; K132-H136 PolarHBondContact O-N 3.34Å; K132-E223 IonicContact NZ-OE2 3.85Å; K132-E223 PolarHBondContact NZ-OE2 3.15Å; K132-T254 HydrophobicContact CB-CG2 4Å; K132-T254 HydrophobicContact CD-CG2 3.47Å; K132-T254 VanDerWaalsContact CD-CG2 3.47Å; K132-T254 HydrophobicContact CG-CG2 4.29Å; K132-S255 WeakPolarHBondContact CD-O 3.47Å
133A87.2Confident84.6Confident43 Ų4357.1 Ų57.136%0.35529%0.289SS..Hα-helixtrans-62.1-38.7179.300000112.6I129 Q130 A131 R137I129-A133 WeakPolarHBondContact O-CB 3.5Å; I129-A133 PolarHBondContact O-N 3.36Å; Q130-A133 PolarHBondContact O-N 3.49Å; A131-A133 PolarHBondContact O-N 2.99Å; A133-R137 VanDerWaalsContact O-CG 3.29Å; A133-R137 WeakPolarHBondContact O-CG 3.32Å; A133-R137 PolarHBondContact O-N 3.11Å
134G84.1Confident83.5Confident31 Ų3160.4 Ų60.432%0.3230%0.303SS..Hα-helixtrans-63-45.9174.200000112.5Q130 A131 K132 R137 T138Q130-G134 PolarHBondContact O-N 3.36Å; A131-G134 PolarHBondContact O-N 3.4Å; K132-G134 VanDerWaalsContact C-N 3.32Å; K132-G134 PolarHBondContact O-N 3.02Å; G134-R137 WeakPolarHBondContact O-CB 3.33Å; G134-R137 PolarHBondContact O-N 2.97Å; G134-T138 PolarHBondContact O-N 3.39Å; G134-T138 PolarHBondContact O-OG1 3.39Å
135A82.7Confident82.4Confident14 Ų1467.5 Ų67.512%0.11633%0.33CS..Hα-helixtrans-66-39.3179.600000112.8A131 K132 R137 T138 Q139 W228 P257A131-A135 WeakPolarHBondContact O-CB 3.38Å; A131-A135 PolarHBondContact O-N 3.2Å; K132-A135 PolarHBondContact O-N 2.98Å; A135-R137 VanDerWaalsContact C-N 3.31Å; A135-R137 PolarHBondContact O-N 3.47Å; A135-T138 WeakPolarHBondContact CA-OG1 3.35Å; A135-T138 PolarHBondContact O-N 2.85Å; A135-T138 PolarHBondContact O-OG1 3.2Å; A135-Q139 PolarHBondContact O-N 2.99Å; A135-W228 HydrophobicContact CB-CE3 4.5Å; A135-W228 HydrophobicContact CB-CH2 3.57Å; A135-W228 HydrophobicContact CB-CZ2 4.49Å; A135-W228 HydrophobicContact CB-CZ3 3.57Å; A135-P257 HydrophobicContact CB-CG 4.07Å
136H81.6Confident81.3Confident49 Ų4972.9 Ų72.923%0.22736%0.355CS..Hα-helixtrans-63.9-36.5172.5-82.1-67000112.6K132 R140 W228K132-H136 WeakPolarHBondContact CE-NE2 3.23Å; K132-H136 PolarHBondContact O-CD2 2.83Å; K132-H136 VanDerWaalsContact O-CD2 3.31Å; K132-H136 PolarHBondContact O-N 3.34Å; H136-R140 WeakPolarHBondContact O-CB 3.3Å; H136-R140 WeakPolarHBondContact O-CG 3.44Å; H136-R140 PolarHBondContact O-N 3.31Å; H136-W228 AromaticContact CE1-CZ2 3.66Å; H136-W228 AromaticContact ND1-CZ2 3.91Å; H136-W228 AromaticContact NE2-CZ2 3.79Å
137R80Confident80.4Confident178 Ų17879.1 Ų79.167%0.67237%0.372SS*.Hα-helixtrans-67.1-38.6176.7-72.9171.3-177.1-174.81.7111.8A133 G134 A135 K141A133-R137 VanDerWaalsContact O-CG 3.29Å; A133-R137 WeakPolarHBondContact O-CG 3.32Å; A133-R137 PolarHBondContact O-N 3.11Å; G134-R137 WeakPolarHBondContact O-CB 3.33Å; G134-R137 PolarHBondContact O-N 2.97Å; A135-R137 VanDerWaalsContact C-N 3.31Å; A135-R137 PolarHBondContact O-N 3.47Å; R137-K141 VanDerWaalsContact O-CG 3.31Å; R137-K141 WeakPolarHBondContact O-CG 3.46Å; R137-K141 PolarHBondContact O-N 3.38Å; R137-K141 VanDerWaalsContact O-N 3.14Å
138T75.6Confident79.6Confident84 Ų8486.4 Ų86.452%0.51540%0.404SS..Hα-helixtrans-68.9-43.7176.552.20000111.3G134 A135 R140 K141 E142G134-T138 PolarHBondContact O-N 3.39Å; G134-T138 PolarHBondContact O-OG1 3.39Å; A135-T138 WeakPolarHBondContact CA-OG1 3.35Å; A135-T138 PolarHBondContact O-N 2.85Å; A135-T138 PolarHBondContact O-OG1 3.2Å; T138-R140 PolarHBondContact O-N 3.25Å; T138-K141 PolarHBondContact O-N 3.05Å; T138-E142 PolarHBondContact O-N 3.19Å
139Q72.9Confident78.6Confident93 Ų9393.7 Ų93.744%0.43543%0.431SS..Hα-helixtrans-59.8-44.9174.8-77.7-175.4-8.800112.8A135 K141 E142 G143 W228A135-Q139 PolarHBondContact O-N 2.99Å; Q139-K141 VanDerWaalsContact C-N 3.35Å; Q139-K141 PolarHBondContact O-N 2.98Å; Q139-E142 PolarHBondContact O-N 2.88Å; Q139-G143 PolarHBondContact O-N 3.15Å; Q139-W228 HydrophobicContact CG-CH2 4.2Å
140R74.4Confident77.5Confident190 Ų19097.4 Ų97.472%0.71745%0.445SS*.Hα-helixtrans-60.3-44176.2-75.4179.4-176.7-177.32.6111.9H136 T138 E142 G143 D144H136-R140 WeakPolarHBondContact O-CB 3.3Å; H136-R140 WeakPolarHBondContact O-CG 3.44Å; H136-R140 PolarHBondContact O-N 3.31Å; T138-R140 PolarHBondContact O-N 3.25Å; R140-E142 VanDerWaalsContact C-N 3.33Å; R140-E142 PolarHBondContact O-N 3.1Å; R140-G143 PolarHBondContact O-N 3.33Å; R140-D144 PolarHBondContact O-N 3.42Å
141K73.4Confident76.3Confident140 Ų14095.1 Ų95.161%0.60944%0.439SS*.Hα-helixtrans-63.1-38.7176.8-75.7177.9-179.8-176.40112.3R137 T138 Q139 R145R137-K141 VanDerWaalsContact O-CG 3.31Å; R137-K141 WeakPolarHBondContact O-CG 3.46Å; R137-K141 PolarHBondContact O-N 3.38Å; R137-K141 VanDerWaalsContact O-N 3.14Å; T138-K141 PolarHBondContact O-N 3.05Å; Q139-K141 VanDerWaalsContact C-N 3.35Å; Q139-K141 PolarHBondContact O-N 2.98Å; K141-R145 VanDerWaalsContact O-CG 3.29Å; K141-R145 WeakPolarHBondContact O-CG 3.48Å; K141-R145 PolarHBondContact O-N 2.98Å
142E71.1Confident75.4Confident69 Ų6997.3 Ų97.332%0.32246%0.457SS..Hα-helixtrans-70.8-43.7177.8-163.658.8-153.800111.3T138 Q139 R140 D144 R145 E146T138-E142 PolarHBondContact O-N 3.19Å; Q139-E142 PolarHBondContact O-N 2.88Å; R140-E142 VanDerWaalsContact C-N 3.33Å; R140-E142 PolarHBondContact O-N 3.1Å; E142-D144 VanDerWaalsContact C-N 3.29Å; E142-D144 PolarHBondContact O-N 3.01Å; E142-R145 CarbonylContact O-C 3.6Å; E142-R145 WeakPolarHBondContact O-CA 3.29Å; E142-R145 WeakPolarHBondContact O-CB 3.33Å; E142-R145 PolarHBondContact O-N 3.46Å; E142-R145 WeakPolarHBondContact OE2-CD 3.49Å; E142-R145 IonicContact OE2-NH1 3.44Å; E142-R145 PolarHBondContact OE2-NH1 3.29Å; E142-E146 PolarHBondContact O-N 3.2Å
143G71.3Confident74.8Confident25 Ų2599.6 Ų99.626%0.25847%0.471SS..Hα-helixtrans-58.4-38.917300000112.9Q139 R140 E146 R147Q139-G143 PolarHBondContact O-N 3.15Å; R140-G143 PolarHBondContact O-N 3.33Å; G143-E146 PolarHBondContact O-N 2.94Å; G143-R147 WeakPolarHBondContact O-CB 3.47Å; G143-R147 VanDerWaalsContact O-CG 3.26Å; G143-R147 WeakPolarHBondContact O-CG 3.45Å; G143-R147 PolarHBondContact O-N 3.18Å
144D69.9Low73.9Confident88 Ų88102.7 Ų102.747%0.47148%0.478SS..Hα-helixtrans-66.9-37.2173.5-77-18.4000112.5R140 E142 K148R140-D144 PolarHBondContact O-N 3.42Å; E142-D144 VanDerWaalsContact C-N 3.29Å; E142-D144 PolarHBondContact O-N 3.01Å; D144-K148 WeakPolarHBondContact O-CB 3.19Å; D144-K148 VanDerWaalsContact O-CG 3.28Å; D144-K148 WeakPolarHBondContact O-CG 3.48Å; D144-K148 PolarHBondContact O-N 3.43Å
145R71.6Confident73.4Confident150 Ų150108.7 Ų108.757%0.56649%0.491SS*.Hα-helixtrans-66.9-42.4174.7-76.4169.9172.7179.4-3111.5K141 E142 K148 R149K141-R145 VanDerWaalsContact O-CG 3.29Å; K141-R145 WeakPolarHBondContact O-CG 3.48Å; K141-R145 PolarHBondContact O-N 2.98Å; E142-R145 CarbonylContact O-C 3.6Å; E142-R145 WeakPolarHBondContact O-CA 3.29Å; E142-R145 WeakPolarHBondContact O-CB 3.33Å; E142-R145 PolarHBondContact O-N 3.46Å; E142-R145 WeakPolarHBondContact OE2-CD 3.49Å; E142-R145 IonicContact OE2-NH1 3.44Å; E142-R145 PolarHBondContact OE2-NH1 3.29Å; R145-K148 PolarHBondContact O-N 2.9Å; R145-R149 WeakPolarHBondContact O-CG 3.26Å; R145-R149 PolarHBondContact O-N 2.91Å
146E70.1Confident72.8Confident114 Ų114112.4 Ų112.453%0.53351%0.505SS..Hα-helixtrans-64.1-44.8175.9-73.9-175.8162.200111.7E142 G143 K148 R149 F150E142-E146 PolarHBondContact O-N 3.2Å; G143-E146 PolarHBondContact O-N 2.94Å; E146-K148 VanDerWaalsContact C-N 3.28Å; E146-K148 PolarHBondContact O-N 2.98Å; E146-R149 CarbonylContact O-C 3.59Å; E146-R149 WeakPolarHBondContact O-CB 3.47Å; E146-R149 PolarHBondContact O-N 2.89Å; E146-R149 VanDerWaalsContact O-N 3.1Å; E146-F150 WeakPolarHBondContact O-CB 3.1Å; E146-F150 PolarHBondContact O-N 2.81Å
147R74.9Confident72.3Confident188 Ų188117.8 Ų117.871%0.70952%0.524SS*.Hα-helixtrans-57.5-41.7173.1-74.2173.8-174.9-157.81111.8G143 F150 S151G143-R147 WeakPolarHBondContact O-CB 3.47Å; G143-R147 VanDerWaalsContact O-CG 3.26Å; G143-R147 WeakPolarHBondContact O-CG 3.45Å; G143-R147 PolarHBondContact O-N 3.18Å; R147-F150 PolarHBondContact O-N 2.9Å; R147-S151 VanDerWaalsContact O-CB 3.29Å; R147-S151 WeakPolarHBondContact O-CB 3.4Å; R147-S151 PolarHBondContact O-N 2.95Å
148K76.4Confident72Confident156 Ų156112.6 Ų112.668%0.67851%0.51SS*.Hα-helixtrans-65.3-40.2174.7-74.6175-176.4-178.50112.3D144 R145 E146 A152D144-K148 WeakPolarHBondContact O-CB 3.19Å; D144-K148 VanDerWaalsContact O-CG 3.28Å; D144-K148 WeakPolarHBondContact O-CG 3.48Å; D144-K148 PolarHBondContact O-N 3.43Å; R145-K148 PolarHBondContact O-N 2.9Å; E146-K148 VanDerWaalsContact C-N 3.28Å; E146-K148 PolarHBondContact O-N 2.98Å; K148-A152 VanDerWaalsContact O-CB 3.3Å; K148-A152 WeakPolarHBondContact O-CB 3.5Å; K148-A152 PolarHBondContact O-N 3.16Å
149R73.8Confident71.7Confident156 Ų156113.4 Ų113.459%0.58951%0.51SS*.Hα-helixtrans-64.1-44.8174.6-74.7176.21791671.9111.6R145 E146 A152 L153R145-R149 WeakPolarHBondContact O-CG 3.26Å; R145-R149 PolarHBondContact O-N 2.91Å; E146-R149 CarbonylContact O-C 3.59Å; E146-R149 WeakPolarHBondContact O-CB 3.47Å; E146-R149 PolarHBondContact O-N 2.89Å; E146-R149 VanDerWaalsContact O-N 3.1Å; R149-A152 PolarHBondContact O-N 2.83Å; R149-L153 WeakPolarHBondContact O-CG 3.22Å; R149-L153 PolarHBondContact O-N 2.92Å
150F66.3Low71.5Confident143 Ų143115.2 Ų115.263%0.62752%0.517SS*.Hα-helixtrans-64.6-45.5178.9-157-87.2000111.2E146 R147 A152 L153 E154E146-F150 WeakPolarHBondContact O-CB 3.1Å; E146-F150 PolarHBondContact O-N 2.81Å; R147-F150 PolarHBondContact O-N 2.9Å; F150-A152 VanDerWaalsContact C-N 3.32Å; F150-A152 PolarHBondContact O-N 3.32Å; F150-L153 PolarHBondContact O-N 3.02Å; F150-E154 WeakPolarHBondContact O-CB 3.42Å; F150-E154 PolarHBondContact O-N 3.12Å
151S67Low71.3Confident40 Ų40113.9 Ų113.928%0.2851%0.511SS..Hα-helixtrans-62.8-36.1174.1-179.90000112.6R147 R155R147-S151 VanDerWaalsContact O-CB 3.29Å; R147-S151 WeakPolarHBondContact O-CB 3.4Å; R147-S151 PolarHBondContact O-N 2.95Å; S151-R155 VanDerWaalsContact O-CG 3.31Å; S151-R155 WeakPolarHBondContact O-CG 3.44Å; S151-R155 PolarHBondContact O-N 2.8Å; S151-R155 VanDerWaalsContact OG-CZ 3.32Å; S151-R155 PolarHBondContact OG-NH1 3.08Å; S151-R155 PolarHBondContact OG-NH2 3.34Å
152A70.8Confident70.6Confident49 Ų49112.2 Ų112.241%0.40551%0.506SS..Hα-helixtrans-67-42.9174.500000112.1K148 R149 F150 E154 R155 E156K148-A152 VanDerWaalsContact O-CB 3.3Å; K148-A152 WeakPolarHBondContact O-CB 3.5Å; K148-A152 PolarHBondContact O-N 3.16Å; R149-A152 PolarHBondContact O-N 2.83Å; F150-A152 VanDerWaalsContact C-N 3.32Å; F150-A152 PolarHBondContact O-N 3.32Å; A152-E154 VanDerWaalsContact C-N 3.34Å; A152-R155 PolarHBondContact O-N 2.98Å; A152-E156 PolarHBondContact O-N 2.91Å
153L74.8Confident70.2Confident92 Ų92118 Ų11848%0.48253%0.525SS..Hα-helixtrans-65.2-37.1175.7-73.1168000112.1R149 F150 E156 R157R149-L153 WeakPolarHBondContact O-CG 3.22Å; R149-L153 PolarHBondContact O-N 2.92Å; F150-L153 PolarHBondContact O-N 3.02Å; L153-E156 PolarHBondContact O-N 3.24Å; L153-R157 WeakPolarHBondContact O-CG 3.35Å; L153-R157 PolarHBondContact O-N 3.23Å
154E69.1Low69.6Low107 Ų107119 Ų11950%0.554%0.535SS..Hα-helixtrans-66.4-46.4175.5-166.9167.6-152.100111.2F150 A152 E156 R157 D158F150-E154 WeakPolarHBondContact O-CB 3.42Å; F150-E154 PolarHBondContact O-N 3.12Å; A152-E154 VanDerWaalsContact C-N 3.34Å; E154-E156 VanDerWaalsContact C-N 3.27Å; E154-E156 PolarHBondContact O-N 2.92Å; E154-R157 WeakPolarHBondContact O-CB 3.31Å; E154-R157 PolarHBondContact O-N 3.43Å; E154-R157 VanDerWaalsContact O-N 3.1Å; E154-D158 PolarHBondContact O-N 3.41Å
155R73.3Confident69Low158 Ų158121.3 Ų121.360%0.59654%0.543SS*.Hα-helixtrans-57.6-39.2171.7-72.8-178.6-168.2116.13.1112.4S151 A152 D158 L159S151-R155 VanDerWaalsContact O-CG 3.31Å; S151-R155 WeakPolarHBondContact O-CG 3.44Å; S151-R155 PolarHBondContact O-N 2.8Å; S151-R155 VanDerWaalsContact OG-CZ 3.32Å; S151-R155 PolarHBondContact OG-NH1 3.08Å; S151-R155 PolarHBondContact OG-NH2 3.34Å; A152-R155 PolarHBondContact O-N 2.98Å; R155-D158 PolarHBondContact O-N 2.87Å; R155-L159 WeakPolarHBondContact O-CB 3.35Å; R155-L159 WeakPolarHBondContact O-CD1 3.32Å; R155-L159 VanDerWaalsContact O-CG 3.25Å; R155-L159 WeakPolarHBondContact O-CG 3.34Å; R155-L159 PolarHBondContact O-N 3.2Å
156E71.6Confident68.2Low91 Ų91123 Ų12343%0.42555%0.55SS..Hα-helixtrans-66.8-38.3177-162.1-167.2148.100112.1A152 L153 E154 K160A152-E156 PolarHBondContact O-N 2.91Å; L153-E156 PolarHBondContact O-N 3.24Å; E154-E156 VanDerWaalsContact C-N 3.27Å; E154-E156 PolarHBondContact O-N 2.92Å; E156-K160 WeakPolarHBondContact O-CG 3.29Å; E156-K160 PolarHBondContact O-N 3.38Å; E156-K160 VanDerWaalsContact OE1-CE 3.26Å; E156-K160 WeakPolarHBondContact OE1-CE 3.38Å; E156-K160 IonicContact OE1-NZ 2.7Å; E156-K160 PolarHBondContact OE1-NZ 2.97Å
157R70.7Confident67.2Low163 Ų163123.4 Ų123.462%0.61555%0.553SS**Hα-helixtrans-66.3-41.5174-73-178.3-162-162.75.4111.9L153 E154 K160 R161L153-R157 WeakPolarHBondContact O-CG 3.35Å; L153-R157 PolarHBondContact O-N 3.23Å; E154-R157 WeakPolarHBondContact O-CB 3.31Å; E154-R157 PolarHBondContact O-N 3.43Å; E154-R157 VanDerWaalsContact O-N 3.1Å; R157-K160 PolarHBondContact O-N 2.93Å; R157-R161 WeakPolarHBondContact O-CG 3.27Å; R157-R161 PolarHBondContact O-N 3.44Å
158D72.9Confident66.1Low69 Ų69116.1 Ų116.137%0.36954%0.536SS..Hα-helixtrans-66.9-40.3178.4-69.9-22.4000111.4E154 R155 K160 R161 E162E154-D158 PolarHBondContact O-N 3.41Å; R155-D158 PolarHBondContact O-N 2.87Å; D158-K160 VanDerWaalsContact C-N 3.33Å; D158-K160 PolarHBondContact O-N 3.31Å; D158-R161 WeakPolarHBondContact O-CB 3.15Å; D158-R161 PolarHBondContact O-N 2.98Å; D158-R161 IonicContact OD1-NH1 3.81Å; D158-R161 PolarHBondContact OD1-NH1 3.21Å; D158-E162 PolarHBondContact O-N 3.37Å
159L69Low64.8Low101 Ų101115.3 Ų115.353%0.52954%0.537SS..Hα-helixtrans-62.2-37.7171.6-73.9166.5000112.8R155 R163R155-L159 WeakPolarHBondContact O-CB 3.35Å; R155-L159 WeakPolarHBondContact O-CD1 3.32Å; R155-L159 VanDerWaalsContact O-CG 3.25Å; R155-L159 WeakPolarHBondContact O-CG 3.34Å; R155-L159 PolarHBondContact O-N 3.2Å; L159-R163 WeakPolarHBondContact O-CB 3.46Å; L159-R163 WeakPolarHBondContact O-CG 3.42Å; L159-R163 PolarHBondContact O-N 3.5Å
160K70.1Confident63.4Low131 Ų131115.7 Ų115.757%0.5754%0.542SS*.Hα-helixtrans-66.8-38.3173.9-76.4174.7-174.41680111.8E156 R157 D158 R163 G164E156-K160 WeakPolarHBondContact O-CG 3.29Å; E156-K160 PolarHBondContact O-N 3.38Å; E156-K160 VanDerWaalsContact OE1-CE 3.26Å; E156-K160 WeakPolarHBondContact OE1-CE 3.38Å; E156-K160 IonicContact OE1-NZ 2.7Å; E156-K160 PolarHBondContact OE1-NZ 2.97Å; R157-K160 PolarHBondContact O-N 2.93Å; D158-K160 VanDerWaalsContact C-N 3.33Å; D158-K160 PolarHBondContact O-N 3.31Å; K160-R163 PolarHBondContact O-N 3.4Å; K160-G164 PolarHBondContact O-N 2.74Å
161R68.6Low62.3Low161 Ų161116.8 Ų116.861%0.60855%0.549SS*.Hα-helixtrans-64.6-45.4174.3-73.8170.5174167.9-6.1111.9R157 D158 R163 G164 Q165R157-R161 WeakPolarHBondContact O-CG 3.27Å; R157-R161 PolarHBondContact O-N 3.44Å; D158-R161 WeakPolarHBondContact O-CB 3.15Å; D158-R161 PolarHBondContact O-N 2.98Å; D158-R161 IonicContact OD1-NH1 3.81Å; D158-R161 PolarHBondContact OD1-NH1 3.21Å; R161-R163 PolarHBondContact O-N 3.34Å; R161-G164 PolarHBondContact O-N 2.92Å; R161-Q165 WeakPolarHBondContact O-CG 3.38Å; R161-Q165 PolarHBondContact O-N 2.87Å
162E60.1Low61.4Low106 Ų106122.1 Ų122.150%0.49557%0.574SS.*Hα-helixtrans-63.7-39.8176.2-75.3-170.716700112.4D158 Q165 R166D158-E162 PolarHBondContact O-N 3.37Å; E162-Q165 PolarHBondContact O-N 3.39Å; E162-R166 WeakPolarHBondContact O-CG 3.4Å; E162-R166 PolarHBondContact O-N 2.88Å
163R61.9Low60.2Low190 Ų190128 Ų12872%0.71759%0.591SS**Hα-helixtrans-64.9-40.3174.1-76.9-179.6179.5-171.40.4112.2L159 K160 R161 R166 M167L159-R163 WeakPolarHBondContact O-CB 3.46Å; L159-R163 WeakPolarHBondContact O-CG 3.42Å; L159-R163 PolarHBondContact O-N 3.5Å; K160-R163 PolarHBondContact O-N 3.4Å; R161-R163 PolarHBondContact O-N 3.34Å; R163-R166 PolarHBondContact O-N 3.49Å; R163-M167 WeakPolarHBondContact O-CG 3.35Å; R163-M167 PolarHBondContact O-N 3.4Å
164G59.4Low58.7Low46 Ų46131.7 Ų131.747%0.47461%0.611SS.*Hα-helixtrans-62.4-42174.100000112.8K160 R161 M167 G168K160-G164 PolarHBondContact O-N 2.74Å; R161-G164 PolarHBondContact O-N 2.92Å; G164-M167 PolarHBondContact O-N 3.43Å; G164-G168 PolarHBondContact O-N 3Å
165Q57.2Low57.3Low136 Ų136129.9 Ų129.964%0.63662%0.621SS**Hα-helixtrans-66.6-38.5175.5-72.8174.82.500112.6R161 E162 G168 M169R161-Q165 WeakPolarHBondContact O-CG 3.38Å; R161-Q165 PolarHBondContact O-N 2.87Å; E162-Q165 PolarHBondContact O-N 3.39Å; Q165-G168 PolarHBondContact O-N 3.12Å; Q165-M169 PolarHBondContact O-N 3.41Å
166R53.6Low55.4Low187 Ų187132 Ų13271%0.70664%0.638SS**Hα-helixtrans-67.6-34.2174.5-75.9-177.4-176.4-171.23.4113E162 R163 K170E162-R166 WeakPolarHBondContact O-CG 3.4Å; E162-R166 PolarHBondContact O-N 2.88Å; R163-R166 PolarHBondContact O-N 3.49Å; R166-K170 WeakPolarHBondContact O-CB 3.39Å; R166-K170 PolarHBondContact O-N 3.05Å
167M50.7Low53.7Low121 Ų121133.8 Ų133.860%0.59666%0.655SS**Hα-helixtrans-69.5-42.1173.6-71.2-69.8-72.300111.2R163 G164 M169 K170 E171R163-M167 WeakPolarHBondContact O-CG 3.35Å; R163-M167 PolarHBondContact O-N 3.4Å; G164-M167 PolarHBondContact O-N 3.43Å; M167-M169 PolarHBondContact O-N 3.48Å; M167-K170 PolarHBondContact O-N 3.27Å; M167-K170 VanDerWaalsContact O-N 3.1Å; M167-E171 PolarHBondContact O-N 3.49Å
168G50.9Low51.9Low35 Ų35131.6 Ų131.636%0.36166%0.663SS.*Hα-helixtrans-64.4-33.3174.300000114.2G164 Q165 K170G164-G168 PolarHBondContact O-N 3Å; Q165-G168 PolarHBondContact O-N 3.12Å; G168-K170 VanDerWaalsContact C-N 3.33Å
169M49.3Very low49.9Very low140 Ų140140 Ų14069%0.6969%0.69SS**Hα-helixtrans-75.9-18.5172.5-81.3-18076.100113.9Q165 M167Q165-M169 PolarHBondContact O-N 3.41Å; M167-M169 PolarHBondContact O-N 3.48Å
170K44.9Very low48.1Very low164 Ų164142.3 Ų142.371%0.71370%0.698SS**Hα-helixtrans-85.6-25.9178.3-141.5178.8-176.7-171.60112.2R166 M167 G168 L172R166-K170 WeakPolarHBondContact O-CB 3.39Å; R166-K170 PolarHBondContact O-N 3.05Å; M167-K170 PolarHBondContact O-N 3.27Å; M167-K170 VanDerWaalsContact O-N 3.1Å; G168-K170 VanDerWaalsContact C-N 3.33Å; K170-L172 VanDerWaalsContact C-N 3.29Å
171E43.5Very low46.5Very low165 Ų165144.2 Ų144.277%0.77171%0.706SS**THydrogen-bonded Turntrans-77.9-9.4173.5-72.1-179.2168.600113.7M167M167-E171 PolarHBondContact O-N 3.49Å
172L47.8Very low44.6Very low152 Ų152142.8 Ų142.880%0.79672%0.715SS**THydrogen-bonded Turntrans-102.27.9177.5-78.8158.6000113.9K170K170-L172 VanDerWaalsContact C-N 3.29Å
173K45.4Very low43.7Very low174 Ų174149.7 Ų149.776%0.75774%0.737SS**  trans-129.256-179.5-83.4-170.4172.5-175.40112.1
174D42.1Very low42.2Very low168 Ų168145.5 Ų145.590%0.89874%0.737SS**  trans-135.386.8156.7-91.3-28.9000107.5
175G39.5Very low41.2Very low70 Ų70153.1 Ų153.172%0.72276%0.76SS**  trans171.498.4-177.300000112.4
176E35Very low40.2Very low203 Ų203151.6 Ų151.695%0.94976%0.764SS**  trans86.5131.7154.4-67.5-175.3144.600122
177T35.5Very low39.8Very low127 Ų127148.4 Ų148.478%0.77977%0.768SS**  trans-79.6158.3-174.48.60000115.5
178C33.2Very low39.6Very low118 Ų118147.3 Ų147.380%0.79777%0.768SS**  trans86.5128.3142.4-75.90000122.3
179R30.9Very low39.5Very low246 Ų246148.6 Ų148.693%0.92877%0.771SS**  trans106.3143.2143.9-84.3-178.3170.7168.1-2120.8
180E31.4Very low39.3Very low149 Ų149147.8 Ų147.870%0.69677%0.77SS**  trans-61.1156.8-165.9-90.3-179.6107.600117.8
181K36.5Very low39.4Very low171 Ų171146.2 Ų146.274%0.74377%0.765SS**  trans54.5125.5151.3-70.6169.3179136.70115.3
182T28.1Very low39.7Very low130 Ų130145.1 Ų145.180%0.79876%0.76SS**  -174.5153.876.4-48.20000107.8S184T182-S184 PolarHBondContact O-N 3.31Å
183R40.9Very low39.8Very low252 Ų252142.6 Ų142.695%0.95175%0.747SS**  trans-51.1125166.5-96177.1169171.3-4.6110.5
184S30.1Very low40.1Very low102 Ų102139.5 Ų139.571%0.71374%0.737SS**  trans-145.2112156.2590000108.4T182T182-S184 PolarHBondContact O-N 3.31Å
185E39.3Very low40.7Very low206 Ų206138 Ų13896%0.96372%0.722SS**  trans-67126.6157.5-73.9176.5156.900107.6
186S35.7Very low41.3Very low103 Ų103136.2 Ų136.272%0.7271%0.705SS**  trans-130.1150.1164.658.90000108.6
187P45.2Very low42.1Very low121 Ų121130.3 Ų130.379%0.78668%0.682SS**PPolyproline II helixtrans-83.4148.7-144.532.2-33.7000112S189P187-S189 PolarHBondContact O-N 3.49Å; P187-S189 VanDerWaalsContact O-N 3.11Å
188V46.5Very low42.9Very low97 Ų97133.5 Ų133.559%0.58868%0.68SS**PPolyproline II helixtrans-54.3117.7162.4177.60000107.2D190 L193V188-D190 PolarHBondContact O-N 3.49Å; V188-L193 HydrophobicContact CG1-CD1 4.18Å
189S48.9Very low44Very low63 Ų63137 Ų13744%0.44168%0.677SS.*PPolyproline II helixtrans-54129.2179.5168.80000110.4P187 E191 E192P187-S189 PolarHBondContact O-N 3.49Å; P187-S189 VanDerWaalsContact O-N 3.11Å; S189-E191 PolarHBondContact O-N 3.04Å; S189-E191 PolarHBondContact OG-N 3.07Å; S189-E192 PolarHBondContact O-N 3.41Å
190D45.2Very low45.1Very low122 Ų122134.1 Ų134.165%0.65267%0.666SS**Hα-helixtrans-52.9-22.7177-74.5-37.4000112.5V188 E192 L193 I194V188-D190 PolarHBondContact O-N 3.49Å; D190-E192 PolarHBondContact O-N 3.47Å; D190-L193 PolarHBondContact O-N 2.87Å; D190-I194 HydrophobicContact CB-CD1 4.44Å; D190-I194 WeakPolarHBondContact O-CB 3.4Å; D190-I194 VanDerWaalsContact O-CD1 3.26Å; D190-I194 WeakPolarHBondContact O-CD1 3.4Å; D190-I194 WeakPolarHBondContact O-CG1 3.44Å; D190-I194 PolarHBondContact O-N 3.46Å
191E46.1Very low46.2Very low131 Ų131133.3 Ų133.361%0.61266%0.664SS**Hα-helixtrans-67.5-31.5176.1-68.7-163.7154.900114.3S189 K195S189-E191 PolarHBondContact O-N 3.04Å; S189-E191 PolarHBondContact OG-N 3.07Å; E191-K195 WeakPolarHBondContact O-CB 3.4Å; E191-K195 WeakPolarHBondContact O-CG 3.49Å; E191-K195 PolarHBondContact O-N 2.99Å
192E50.7Low47Very low143 Ų143130.3 Ų130.367%0.66865%0.652SS**Hα-helixtrans-77.4-35.6177.7-74.5-168.6149.900111.7S189 D190 G196S189-E192 PolarHBondContact O-N 3.41Å; D190-E192 PolarHBondContact O-N 3.47Å; E192-G196 PolarHBondContact O-N 2.99Å
193L48.9Very low48Very low99 Ų99130.3 Ų130.352%0.51865%0.645SS.*Hα-helixtrans-65.2-43.4171-88.9146.3000111.1V188 D190 G196 V197V188-L193 HydrophobicContact CG1-CD1 4.18Å; D190-L193 PolarHBondContact O-N 2.87Å; L193-G196 PolarHBondContact O-N 3.22Å; L193-V197 WeakPolarHBondContact O-CB 3.2Å; L193-V197 VanDerWaalsContact O-CG2 3.22Å; L193-V197 WeakPolarHBondContact O-CG2 3.46Å; L193-V197 PolarHBondContact O-N 3.15Å
194I52.8Low48.3Very low109 Ų109124.9 Ų124.956%0.55963%0.63SS**Hα-helixtrans-67.2-40.2177.9-65.3161.6000111.3D190 V197 R198D190-I194 HydrophobicContact CB-CD1 4.44Å; D190-I194 WeakPolarHBondContact O-CB 3.4Å; D190-I194 VanDerWaalsContact O-CD1 3.26Å; D190-I194 WeakPolarHBondContact O-CD1 3.4Å; D190-I194 WeakPolarHBondContact O-CG1 3.44Å; D190-I194 PolarHBondContact O-N 3.46Å; I194-V197 PolarHBondContact O-N 2.85Å; I194-R198 WeakPolarHBondContact O-CB 3.41Å; I194-R198 PolarHBondContact O-N 2.9Å
195K53.8Low49.2Very low135 Ų135128 Ų12859%0.58763%0.626SS**Hα-helixtrans-66.6-36.7173.4-84.1173.1178.4161.70112.5E191 R199E191-K195 WeakPolarHBondContact O-CB 3.4Å; E191-K195 WeakPolarHBondContact O-CG 3.49Å; E191-K195 PolarHBondContact O-N 2.99Å; K195-R199 WeakPolarHBondContact O-CB 3.37Å; K195-R199 WeakPolarHBondContact O-CG 3.32Å; K195-R199 PolarHBondContact O-N 3.33Å; K195-R199 VanDerWaalsContact O-N 3.1Å
196G52.5Low49.5Very low34 Ų34124.2 Ų124.235%0.35161%0.608SS.*Hα-helixtrans-65.5-40174.700000112.8E192 L193 R200E192-G196 PolarHBondContact O-N 2.99Å; L193-G196 PolarHBondContact O-N 3.22Å; G196-R200 WeakPolarHBondContact O-CB 3.34Å; G196-R200 PolarHBondContact O-N 3.21Å; G196-R200 VanDerWaalsContact O-N 3.15Å
197V51.5Low50Low79 Ų79129.2 Ų129.248%0.47961%0.611SS.*Hα-helixtrans-72.7-39.7177.4173.50000111.5L193 I194 R200 M201L193-V197 WeakPolarHBondContact O-CB 3.2Å; L193-V197 VanDerWaalsContact O-CG2 3.22Å; L193-V197 WeakPolarHBondContact O-CG2 3.46Å; L193-V197 PolarHBondContact O-N 3.15Å; I194-V197 PolarHBondContact O-N 2.85Å; V197-R200 PolarHBondContact O-N 3.44Å; V197-M201 PolarHBondContact O-N 2.83Å
198R53.3Low49.6Very low194 Ų194125.4 Ų125.473%0.73259%0.594SS**Hα-helixtrans-62.9-42.7175.3-127.8175.9-175.5178.81.1112.3I194 R200 M201 E202I194-R198 WeakPolarHBondContact O-CB 3.41Å; I194-R198 PolarHBondContact O-N 2.9Å; R198-R200 VanDerWaalsContact C-N 3.32Å; R198-R200 PolarHBondContact O-N 3.33Å; R198-M201 PolarHBondContact O-N 3.31Å; R198-E202 WeakPolarHBondContact O-CB 3.27Å; R198-E202 PolarHBondContact O-N 2.91Å
199R55.6Low49.2Very low192 Ų192126.2 Ų126.273%0.72560%0.599SS**Hα-helixtrans-64.3-34.2174-78.9178.3173.7167.4-1.8112.6K195 M203K195-R199 WeakPolarHBondContact O-CB 3.37Å; K195-R199 WeakPolarHBondContact O-CG 3.32Å; K195-R199 PolarHBondContact O-N 3.33Å; K195-R199 VanDerWaalsContact O-N 3.1Å; R199-M203 WeakPolarHBondContact O-CB 3.44Å; R199-M203 WeakPolarHBondContact O-CG 2.95Å; R199-M203 PolarHBondContact O-N 3.04Å
200R53.4Low48.9Very low185 Ų185129.1 Ų129.170%0.69861%0.614SS**Hα-helixtrans-72.7-42.6177.2-132.1-178.2-78.3-161.8-2112G196 V197 R198 E202 M203 E204G196-R200 WeakPolarHBondContact O-CB 3.34Å; G196-R200 PolarHBondContact O-N 3.21Å; G196-R200 VanDerWaalsContact O-N 3.15Å; V197-R200 PolarHBondContact O-N 3.44Å; R198-R200 VanDerWaalsContact C-N 3.32Å; R198-R200 PolarHBondContact O-N 3.33Å; R200-E202 VanDerWaalsContact C-N 3.34Å; R200-E202 PolarHBondContact O-N 2.66Å; R200-M203 PolarHBondContact O-N 2.93Å; R200-E204 PolarHBondContact O-N 2.77Å
201M54.3Low48.8Very low132 Ų132128.7 Ų128.765%0.6562%0.616SS**Hα-helixtrans-65.1-33.8173.8-83.3-167.1179.100113V197 R198 E204 R205V197-M201 PolarHBondContact O-N 2.83Å; R198-M201 PolarHBondContact O-N 3.31Å; M201-E204 PolarHBondContact O-N 3.41Å; M201-R205 VanDerWaalsContact O-CB 3.32Å; M201-R205 WeakPolarHBondContact O-CB 3.37Å; M201-R205 PolarHBondContact O-N 2.78Å
202E53.8Low48.2Very low107 Ų107129.2 Ų129.250%0.563%0.628SS.*Hα-helixtrans-74.2-34.3178.6-162.2157.2-153.800112.3R198 R200 R205 Q206R198-E202 WeakPolarHBondContact O-CB 3.27Å; R198-E202 PolarHBondContact O-N 2.91Å; R200-E202 VanDerWaalsContact C-N 3.34Å; R200-E202 PolarHBondContact O-N 2.66Å; E202-R205 PolarHBondContact O-N 3.13Å; E202-Q206 WeakPolarHBondContact O-CG 3.33Å; E202-Q206 PolarHBondContact O-N 3.03Å
203M49.8Very low47.1Very low131 Ų131126.3 Ų126.365%0.64564%0.636SS**Hα-helixtrans-68.7-37.4170.8-72.8-88.5-79.900112.4R199 R200 R207R199-M203 WeakPolarHBondContact O-CB 3.44Å; R199-M203 WeakPolarHBondContact O-CG 2.95Å; R199-M203 PolarHBondContact O-N 3.04Å; R200-M203 PolarHBondContact O-N 2.93Å; M203-R207 PolarHBondContact O-N 3Å; M203-R207 VanDerWaalsContact O-N 3.07Å
204E47.7Very low46.2Very low138 Ų138127.8 Ų127.865%0.64566%0.655SS**Hα-helixtrans-72.9-33.8173.4-83.7-177.9158.700112.8R200 M201 R207 G208R200-E204 PolarHBondContact O-N 2.77Å; M201-E204 PolarHBondContact O-N 3.41Å; E204-R207 PolarHBondContact O-N 3.38Å; E204-G208 PolarHBondContact O-N 3.43Å
205R47.8Very low45.1Very low166 Ų166134.4 Ų134.463%0.62667%0.673SS**Hα-helixtrans-66.5-37.2172.7-162.5-176.877.788.1-1.3111.8M201 E202 V209M201-R205 VanDerWaalsContact O-CB 3.32Å; M201-R205 WeakPolarHBondContact O-CB 3.37Å; M201-R205 PolarHBondContact O-N 2.78Å; E202-R205 PolarHBondContact O-N 3.13Å; R205-V209 WeakPolarHBondContact O-CG2 3.39Å; R205-V209 PolarHBondContact O-N 3.27Å
206Q47.1Very low44.3Very low127 Ų127132 Ų13259%0.59369%0.686SS**Hα-helixtrans-71.7-28.6173.8-74.4-179.31.700113E202E202-Q206 WeakPolarHBondContact O-CG 3.33Å; E202-Q206 PolarHBondContact O-N 3.03Å
207R45.2Very low43Very low208 Ų208133.5 Ų133.579%0.78570%0.702SS**Hα-helixtrans-78-34.6170.4-90.9-178.7165.6-168.9-4.1113.5M203 E204 V209 V210M203-R207 PolarHBondContact O-N 3Å; M203-R207 VanDerWaalsContact O-N 3.07Å; E204-R207 PolarHBondContact O-N 3.38Å; R207-V209 VanDerWaalsContact C-N 3.35Å; R207-V209 PolarHBondContact O-N 2.71Å; R207-V210 PolarHBondContact O-N 3.24Å
208G36Very low41.9Very low41 Ų41139.3 Ų139.342%0.42372%0.72SS.*Hα-helixtrans-73-21.4-178.100000114.6E204 V210 V211E204-G208 PolarHBondContact O-N 3.43Å; G208-V210 PolarHBondContact O-N 3.32Å; G208-V211 PolarHBondContact O-N 3.49Å
209V39.3Very low40.6Very low115 Ų115138 Ų13870%0.69773%0.727SS**THydrogen-bonded Turntrans-73.9-8.9173.2174.70000112.2R205 R207R205-V209 WeakPolarHBondContact O-CG2 3.39Å; R205-V209 PolarHBondContact O-N 3.27Å; R207-V209 VanDerWaalsContact C-N 3.35Å; R207-V209 PolarHBondContact O-N 2.71Å
210V42.5Very low39.2Very low123 Ų123136.4 Ų136.475%0.74573%0.728SS**THydrogen-bonded Turntrans-96.9-6.8178.5-179.40000113.1R207 G208R207-V210 PolarHBondContact O-N 3.24Å; G208-V210 PolarHBondContact O-N 3.32Å
211V42.4Very low38Very low114 Ų114133.7 Ų133.769%0.69173%0.732SS**SBendtrans-138.372.1-176.9-169.60000111.4G208G208-V211 PolarHBondContact O-N 3.49Å
212T33Very low36.9Very low142 Ų142136 Ų13687%0.87174%0.741SS**SBendtrans-164.599.7144.731.50000109.5
213G29.1Very low36.1Very low81 Ų81136.9 Ų136.984%0.83575%0.745SS**  trans169.543.6177.700000112.8
214S30.3Very low35.4Very low130 Ų130140.2 Ų140.291%0.90976%0.756SS**  trans-95.1104.1171.9-159.80000109
215R29Very low35.1Very low249 Ų249141.3 Ų141.394%0.9476%0.761SS**  trans-142.3108152.1-158.8171.2160.7-172.7-7.5108.1
216G37.2Very low35.2Very low83 Ų83135.3 Ų135.386%0.85675%0.747SS**  trans-11.7117.9-176.600000118.9
217G25Very low35.6Very low67 Ų67137.6 Ų137.669%0.69176%0.763SS**  trans-162.5127.3160.800000108.5L219G217-L219 PolarHBondContact O-N 3.42Å; G217-L219 VanDerWaalsContact O-N 3.16Å
218K27.4Very low36.6Very low200 Ų200129.6 Ų129.687%0.8773%0.733SS**  trans-49.4118.8174.6-83.2170.2169.41760109.4E220K218-E220 PolarHBondContact O-N 3.3Å
219L26.5Very low38.5Very low167 Ų167135.3 Ų135.387%0.87475%0.749SS**  trans-72.585.1165.3-96.2139.1000108G217 T221G217-L219 PolarHBondContact O-N 3.42Å; G217-L219 VanDerWaalsContact O-N 3.16Å; L219-T221 PolarHBondContact O-N 2.88Å
220E27.5Very low40.5Very low159 Ų159132.9 Ų132.974%0.74373%0.734SS**  trans-57.2118.3150.2-69.7-178.5171.300106.4K218 E222K218-E220 PolarHBondContact O-N 3.3Å; E220-E222 VanDerWaalsContact C-N 3.29Å; E220-E222 PolarHBondContact O-N 2.88Å
221T28.1Very low42.6Very low127 Ų127131 Ų13178%0.77972%0.719SS**  trans-71.594.7174-450000105.6L219 E223L219-T221 PolarHBondContact O-N 2.88Å; T221-E223 PolarHBondContact O-N 3.28Å
222E31.3Very low44.8Very low180 Ų180125.8 Ų125.884%0.84169%0.688SS**  trans-61.292.8164.9-72.7-176.2160.100107.1E220 K224E220-E222 VanDerWaalsContact C-N 3.29Å; E220-E222 PolarHBondContact O-N 2.88Å; E222-K224 VanDerWaalsContact C-N 3.29Å; E222-K224 PolarHBondContact O-N 2.78Å
223E35.4Very low47.7Very low127 Ų127121.7 Ų121.759%0.59366%0.659SS**  trans-55.7100.4159.5-70.3-169.3162.900105.3K132 T221 E225K132-E223 IonicContact NZ-OE2 3.85Å; K132-E223 PolarHBondContact NZ-OE2 3.15Å; T221-E223 PolarHBondContact O-N 3.28Å; E223-E225 PolarHBondContact O-N 2.72Å
224K36.3Very low50.8Low200 Ų200117.8 Ų117.887%0.8762%0.619SS**  trans-47.4110.3161.3-83.9-176.1172.3-177.90106E222 A226E222-K224 VanDerWaalsContact C-N 3.29Å; E222-K224 PolarHBondContact O-N 2.78Å; K224-A226 VanDerWaalsContact C-N 3.32Å; K224-A226 PolarHBondContact O-N 3.46Å
225E40.9Very low53.7Low162 Ų162115 Ų11576%0.75759%0.589SS**  trans-54.8101.6175.7-81-172.8138.700107E223 D227E223-E225 PolarHBondContact O-N 2.72Å; E225-D227 PolarHBondContact O-N 2.99Å
226A50.2Low56.7Low40 Ų40103.2 Ų103.233%0.33154%0.544SS..  trans-61.3124.9167.600000105.8K224 W228K224-A226 VanDerWaalsContact C-N 3.32Å; K224-A226 PolarHBondContact O-N 3.46Å; A226-W228 VanDerWaalsContact C-N 3.29Å; A226-W228 PolarHBondContact O-N 3.4Å
227D55.6Low59.3Low174 Ų174100.2 Ų100.293%0.9351%0.509SS*.  trans-65.794.9174.9-16112.6000107.3E225E225-D227 PolarHBondContact O-N 2.99Å
228W65.1Low62.5Low40 Ų4097.1 Ų97.115%0.15248%0.476CS..  trans-82.3121.4-177.1-72.2102.3000109.1A135 H136 Q139 A226 V230A135-W228 HydrophobicContact CB-CE3 4.5Å; A135-W228 HydrophobicContact CB-CH2 3.57Å; A135-W228 HydrophobicContact CB-CZ2 4.49Å; A135-W228 HydrophobicContact CB-CZ3 3.57Å; H136-W228 AromaticContact CE1-CZ2 3.66Å; H136-W228 AromaticContact ND1-CZ2 3.91Å; H136-W228 AromaticContact NE2-CZ2 3.79Å; Q139-W228 HydrophobicContact CG-CH2 4.2Å; A226-W228 VanDerWaalsContact C-N 3.29Å; A226-W228 PolarHBondContact O-N 3.4Å; W228-V230 PolarHBondContact O-N 3.01Å
229E77.4Confident65.5Low161 Ų16188.5 Ų88.575%0.75244%0.439SS*.  trans-68.3121.2166-166.4176.8-174.400109.1L231E229-L231 PolarHBondContact O-N 3.25Å
230V81.1Confident68.6Low64 Ų6480.6 Ų80.639%0.38840%0.397SS..  trans-73.4112.4179.5178.20000108.6W228 K259W228-V230 PolarHBondContact O-N 3.01Å; V230-K259 HydrophobicContact CB-CB 4.47Å; V230-K259 HydrophobicContact CG1-CB 3.54Å; V230-K259 HydrophobicContact CG2-CB 4.02Å; V230-K259 HydrophobicContact CG2-CD 4.02Å
231L85.4Confident71.6Confident83 Ų8374.5 Ų74.544%0.43537%0.37SS..  trans-82.5-40.8180-61.2178.4000111.9L89 E229 P257L89-L231 HydrophobicContact CD2-CB 4.04Å; L89-L231 HydrophobicContact CD2-CD1 4.25Å; E229-L231 PolarHBondContact O-N 3.25Å; L231-P257 HydrophobicContact CB-CB 4.35Å; L231-P257 HydrophobicContact CD1-CB 3.88Å; L231-P257 HydrophobicContact CG-CB 4.12Å; L231-P257 PolarHBondContact N-O 3.27Å
232V90Very high74.3Confident6 Ų671.6 Ų71.64%0.03636%0.358CS..EExtended strand (participates in β ladder)trans-134.1128.6-180-171.80000111.4L89 L96 Q97 L99 V234 P257 L258 K259L89-V232 HydrophobicContact CD2-CG2 3.65Å; L96-V232 HydrophobicContact CD2-CG1 4.42Å; L96-V232 HydrophobicContact CG-CG1 4.31Å; L96-V232 WeakPolarHBondContact O-CG2 3.5Å; Q97-V232 CarbonylContact O-C 3.58Å; Q97-V232 VanDerWaalsContact O-CA 3.32Å; Q97-V232 WeakPolarHBondContact O-CA 3.4Å; L99-V232 HydrophobicContact CB-CG1 4.36Å; V232-V234 HydrophobicContact CG1-CG2 4.47Å; V232-P257 PolarHBondContact N-O 3.33Å; V232-L258 HydrophobicContact CB-CD2 3.54Å; V232-L258 HydrophobicContact CG1-CD2 4.3Å; V232-L258 HydrophobicContact CG2-CD2 4.08Å; V232-L258 WeakPolarHBondContact O-CA 3.32Å; V232-K259 PolarHBondContact O-N 3.35Å
233Q92.7Very high76.9Confident55 Ų5572.8 Ų72.826%0.25736%0.355SS..EExtended strand (participates in β ladder)trans-94.4120.6173.4-174.6173.1-28.600109.5Q97 V98 L99 Q261Q97-Q233 PolarHBondContact O-N 2.77Å; V98-Q233 CarbonylContact C-O 3.57Å; V98-Q233 WeakPolarHBondContact CA-O 3.14Å; L99-Q233 PolarHBondContact N-O 2.99Å; Q233-Q261 VanDerWaalsContact CD-CD 3.47Å; Q233-Q261 VanDerWaalsContact CG-CD 3.47Å; Q233-Q261 HydrophobicContact CG-CG 4.07Å
234V93.3Very high79.4Confident0 Ų066.8 Ų66.80%033%0.328CS..EExtended strand (participates in β ladder)trans-104.8110-177.3-177.90000108.6L99 V101 L124 M127 V232 K259 L260 Q261L99-V234 HydrophobicContact CB-CG2 4.39Å; L99-V234 HydrophobicContact CD2-CG1 4.14Å; L99-V234 HydrophobicContact CD2-CG2 4.4Å; L99-V234 CarbonylContact O-C 3.49Å; L99-V234 WeakPolarHBondContact O-CA 3.31Å; V101-V234 HydrophobicContact CG2-CG1 4.5Å; L124-V234 HydrophobicContact CD2-CG1 3.81Å; M127-V234 HydrophobicContact CE-CB 4.38Å; M127-V234 HydrophobicContact CE-CG1 4.02Å; M127-V234 HydrophobicContact CE-CG2 3.7Å; V232-V234 HydrophobicContact CG1-CG2 4.47Å; V234-K259 PolarHBondContact N-O 2.84Å; V234-L260 HydrophobicContact CB-CD1 4.14Å; V234-L260 HydrophobicContact CG1-CD1 3.92Å; V234-L260 CarbonylContact O-C 3.6Å; V234-Q261 PolarHBondContact O-N 2.76Å
235R92.7Very high82Confident72 Ų7259.2 Ų59.227%0.27229%0.293SS..EExtended strand (participates in β ladder)trans-93.5122.3175.7-63.9179.6178.8167.90.6109.1L99 V101 Q261L99-R235 PolarHBondContact O-N 3.2Å; V101-R235 WeakPolarHBondContact CG2-O 3.37Å; V101-R235 PolarHBondContact N-O 2.91Å; R235-Q261 WeakPolarHBondContact CA-O 3.39Å; R235-Q261 HydrophobicContact CG-CB 4.48Å
236A91.8Very high84.3Confident0 Ų056.1 Ų56.10%028%0.279CS..EExtended strand (participates in β ladder)trans-145.4157.9-17800000111.5V101 C102 L124 L260 Q261 C262 R263V101-A236 HydrophobicContact CG2-CB 3.6Å; C102-A236 VanDerWaalsContact SG-C 3.53Å; C102-A236 VanDerWaalsContact SG-CA 3.6Å; L124-A236 HydrophobicContact CD1-CB 3.46Å; L124-A236 VanDerWaalsContact CD1-CB 3.46Å; A236-L260 HydrophobicContact CB-CD1 4.25Å; A236-Q261 PolarHBondContact N-O 2.98Å; A236-C262 WeakPolarHBondContact O-CA 3.44Å; A236-R263 PolarHBondContact O-N 3.34Å
237D91.5Very high86.3Confident21 Ų2160.2 Ų60.211%0.11229%0.286CS..EExtended strand (participates in β ladder)trans-84.8133.8161.4-50.3-35.8000107C102 G103 Q105 Y264C102-D237 WeakPolarHBondContact CA-OD2 3.21Å; C102-D237 PolarHBondContact SG-OD1 3.41Å; G103-D237 PolarHBondContact N-OD2 2.92Å; Q105-D237 PolarHBondContact NE2-O 2.86Å; D237-Y264 CarbonylContact C-O 3.18Å; D237-Y264 VanDerWaalsContact CA-O 3.3Å; D237-Y264 WeakPolarHBondContact CA-O 3.48Å; D237-Y264 PolarHBondContact OD1-N 3.45Å
238I91.8Very high88.1Confident2 Ų251.9 Ų51.91%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-113127.1-173.6-60-174.7000108.5T121 V240 V248 L252 L260 C262 Y264 L265 R266T121-I238 HydrophobicContact CG2-CG2 3.76Å; I238-V240 HydrophobicContact CG2-CG2 3.64Å; I238-V248 HydrophobicContact CG2-CG1 3.84Å; I238-V248 HydrophobicContact CG2-CG2 4.36Å; I238-L252 HydrophobicContact CD1-CD2 4.15Å; I238-L260 HydrophobicContact CD1-CD2 3.7Å; I238-L260 HydrophobicContact CD1-CG 4.08Å; I238-C262 HydrophobicContact CD1-CB 3.61Å; I238-C262 HydrophobicContact CG1-CB 4.02Å; I238-Y264 PolarHBondContact N-O 2.92Å; I238-L265 HydrophobicContact CB-CD1 4.08Å; I238-L265 HydrophobicContact CG2-CD1 4.1Å; I238-R266 PolarHBondContact O-N 2.77Å
239F91.5Very high89.4Confident19 Ų1954.7 Ų54.78%0.08325%0.252CS..EExtended strand (participates in β ladder)trans-111.1115.4176.1-179-91.2000110.6W118 T121 N241 R266 E268W118-F239 HydrophobicContact CB-CD1 3.61Å; W118-F239 HydrophobicContact CB-CE1 3.83Å; W118-F239 HydrophobicContact CG-CD1 4.4Å; T121-F239 WeakPolarHBondContact CG2-O 3.39Å; T121-F239 PolarHBondContact OG1-N 3.45Å; T121-F239 PolarHBondContact OG1-O 3.43Å; F239-N241 HydrophobicContact CE1-CB 4.45Å; F239-R266 CarbonylContact C-O 3.57Å; F239-R266 WeakPolarHBondContact CA-O 3.4Å; F239-R266 HydrophobicContact CD2-CB 3.82Å; F239-R266 HydrophobicContact CD2-CG 3.55Å; F239-R266 HydrophobicContact CE2-CB 4.48Å; F239-R266 HydrophobicContact CE2-CG 3.72Å; F239-E268 HydrophobicContact CE2-CG 3.61Å; F239-E268 WeakPolarHBondContact CE2-OE1 3.48Å; F239-E268 HydrophobicContact CZ-CB 4.34Å; F239-E268 HydrophobicContact CZ-CG 3.67Å; F239-E268 VanDerWaalsContact CZ-OE2 3.22Å; F239-E268 WeakPolarHBondContact CZ-OE2 3.38Å
240V91Very high90.1Very high0 Ų051.5 Ų51.50%024%0.24CC..EExtended strand (participates in β ladder)trans-117.2128.3-174.5-157.70000110.4I238 S244 W245 V248 L265 R266 V267 E268 I270 L278I238-V240 HydrophobicContact CG2-CG2 3.64Å; V240-S244 WeakPolarHBondContact CA-OG 3.46Å; V240-W245 HydrophobicContact CG1-CB 4.35Å; V240-W245 HydrophobicContact CG1-CE3 4.37Å; V240-V248 HydrophobicContact CG1-CB 4.3Å; V240-V248 HydrophobicContact CG1-CG2 4.21Å; V240-V248 HydrophobicContact CG2-CB 4.38Å; V240-V248 HydrophobicContact CG2-CG1 3.96Å; V240-V248 HydrophobicContact CG2-CG2 4.18Å; V240-L265 HydrophobicContact CG2-CD1 3.83Å; V240-R266 PolarHBondContact N-O 3.31Å; V240-V267 CarbonylContact O-C 3.46Å; V240-V267 WeakPolarHBondContact O-CA 3.49Å; V240-E268 PolarHBondContact O-N 3.16Å; V240-I270 HydrophobicContact CB-CD1 3.78Å; V240-I270 HydrophobicContact CG1-CD1 3.42Å; V240-I270 VanDerWaalsContact CG1-CD1 3.42Å; V240-L278 HydrophobicContact CB-CD1 4.4Å; V240-L278 HydrophobicContact CG1-CD1 4.23Å; V240-L278 HydrophobicContact CG2-CD1 4.1Å
241N89.6Confident90.6Very high32 Ų3248.6 Ų48.617%0.17122%0.222CC..EExtended strand (participates in β ladder)trans-125.5177.3168.36519.6000110.6F239 R243 S244 W245 E268F239-N241 HydrophobicContact CE1-CB 4.45Å; N241-R243 PolarHBondContact O-N 3.36Å; N241-R243 PolarHBondContact OD1-N 2.7Å; N241-R243 VanDerWaalsContact OD1-N 3.09Å; N241-S244 PolarHBondContact N-OG 2.72Å; N241-S244 PolarHBondContact O-N 3.1Å; N241-S244 VanDerWaalsContact O-N 3.1Å; N241-S244 PolarHBondContact O-OG 2.93Å; N241-S244 PolarHBondContact OD1-N 2.96Å; N241-S244 PolarHBondContact OD1-OG 3.46Å; N241-W245 PolarHBondContact O-N 2.78Å; N241-E268 WeakPolarHBondContact CA-O 3.19Å
242A85.4Confident90.9Very high65 Ų6545.9 Ų45.954%0.53721%0.208SC..THydrogen-bonded Turntrans-52.6-29.2179.500000113.9
243R86.9Confident90.9Very high206 Ų20648.6 Ų48.678%0.77723%0.227SC*.THydrogen-bonded Turntrans-87.4-29.7-179.6-61.9-177.3-179.2179.91.5114N241 R247N241-R243 PolarHBondContact O-N 3.36Å; N241-R243 PolarHBondContact OD1-N 2.7Å; N241-R243 VanDerWaalsContact OD1-N 3.09Å; R243-R247 PolarHBondContact O-NH1 2.85Å
244S88.1Confident90.6Very high1 Ų147 Ų471%0.00722%0.221CC..THydrogen-bonded Turntrans-93.6-18.9-179.664.40000113.2V240 N241 E246 R247 V248V240-S244 WeakPolarHBondContact CA-OG 3.46Å; N241-S244 PolarHBondContact N-OG 2.72Å; N241-S244 PolarHBondContact O-N 3.1Å; N241-S244 VanDerWaalsContact O-N 3.1Å; N241-S244 PolarHBondContact O-OG 2.93Å; N241-S244 PolarHBondContact OD1-N 2.96Å; N241-S244 PolarHBondContact OD1-OG 3.46Å; S244-E246 PolarHBondContact O-N 3.38Å; S244-R247 WeakPolarHBondContact O-CB 3.49Å; S244-R247 PolarHBondContact O-N 2.75Å; S244-V248 WeakPolarHBondContact O-CG2 3.29Å; S244-V248 PolarHBondContact O-N 3.25Å
245W89.9Confident90.3Very high40 Ų4048.9 Ų48.915%0.15223%0.234CC..Hα-helixtrans-33.6-62.1177164.4-104.5000114V240 N241 R247 V248 R249 I270 S274 T277 L278V240-W245 HydrophobicContact CG1-CB 4.35Å; V240-W245 HydrophobicContact CG1-CE3 4.37Å; N241-W245 PolarHBondContact O-N 2.78Å; W245-R247 VanDerWaalsContact C-N 3.3Å; W245-R247 PolarHBondContact O-N 2.86Å; W245-V248 PolarHBondContact O-N 2.91Å; W245-R249 HydrophobicContact CZ2-CB 4.3Å; W245-R249 HydrophobicContact CZ2-CG 4.38Å; W245-R249 WeakPolarHBondContact O-CB 3.43Å; W245-R249 PolarHBondContact O-N 3.26Å; W245-I270 HydrophobicContact CE3-CD1 4.14Å; W245-I270 HydrophobicContact CE3-CG2 4.4Å; W245-S274 WeakPolarHBondContact CH2-O 3.38Å; W245-S274 VanDerWaalsContact CZ3-C 3.49Å; W245-S274 WeakPolarHBondContact CZ3-O 3.44Å; W245-T277 HydrophobicContact CH2-CG2 4.05Å; W245-T277 HydrophobicContact CZ2-CG2 4.28Å; W245-L278 HydrophobicContact CE3-CD1 3.82Å; W245-L278 HydrophobicContact CE3-CG 4.1Å; W245-L278 HydrophobicContact CH2-CD1 4.39Å; W245-L278 HydrophobicContact CH2-CD2 4.41Å; W245-L278 HydrophobicContact CH2-CG 3.86Å; W245-L278 HydrophobicContact CZ3-CB 4.45Å; W245-L278 HydrophobicContact CZ3-CD1 3.35Å; W245-L278 HydrophobicContact CZ3-CD2 3.95Å; W245-L278 HydrophobicContact CZ3-CG 3.27Å
246E90.1Very high90Very high98 Ų9845.8 Ų45.846%0.45823%0.225SC..Hα-helixtrans-67-33.9-171.7-168.761-16200112S244 R249 L250S244-E246 PolarHBondContact O-N 3.38Å; E246-R249 VanDerWaalsContact CD-NH1 3.25Å; E246-R249 IonicContact OE1-CZ 3.38Å; E246-R249 IonicContact OE1-NH1 2.65Å; E246-R249 PolarHBondContact OE1-NH1 3.01Å; E246-R249 IonicContact OE2-CZ 2.94Å; E246-R249 IonicContact OE2-NH1 3.97Å; E246-R249 PolarHBondContact OE2-NH1 3.21Å; E246-L250 VanDerWaalsContact O-CB 3.28Å; E246-L250 WeakPolarHBondContact O-CB 3.47Å; E246-L250 PolarHBondContact O-N 2.99Å
247R91.7Very high89.8Confident125 Ų12546.1 Ų46.147%0.47223%0.227SC..Hα-helixtrans-68.4-41.3176.4-63.8-175.6-177.587.9-1.5111.4C125 R243 S244 W245 A251C125-R247 HydrophobicContact CB-CB 4.38Å; R243-R247 PolarHBondContact O-NH1 2.85Å; S244-R247 WeakPolarHBondContact O-CB 3.49Å; S244-R247 PolarHBondContact O-N 2.75Å; W245-R247 VanDerWaalsContact C-N 3.3Å; W245-R247 PolarHBondContact O-N 2.86Å; R247-A251 VanDerWaalsContact O-CB 3.3Å; R247-A251 WeakPolarHBondContact O-CB 3.34Å; R247-A251 PolarHBondContact O-N 3.12Å
248V92.6Very high89.8Confident0 Ų045.2 Ų45.20%022%0.222CC..Hα-helixtrans-68.1-47.9179175.70000110.3T121 I238 V240 S244 W245 L250 A251 L252 L278T121-V248 HydrophobicContact CG2-CG2 3.56Å; I238-V248 HydrophobicContact CG2-CG1 3.84Å; I238-V248 HydrophobicContact CG2-CG2 4.36Å; V240-V248 HydrophobicContact CG1-CB 4.3Å; V240-V248 HydrophobicContact CG1-CG2 4.21Å; V240-V248 HydrophobicContact CG2-CB 4.38Å; V240-V248 HydrophobicContact CG2-CG1 3.96Å; V240-V248 HydrophobicContact CG2-CG2 4.18Å; S244-V248 WeakPolarHBondContact O-CG2 3.29Å; S244-V248 PolarHBondContact O-N 3.25Å; W245-V248 PolarHBondContact O-N 2.91Å; V248-L250 VanDerWaalsContact C-N 3.34Å; V248-L250 PolarHBondContact O-N 3.25Å; V248-A251 PolarHBondContact O-N 2.96Å; V248-L252 HydrophobicContact CG1-CD1 3.81Å; V248-L252 HydrophobicContact CG1-CG 4.27Å; V248-L252 WeakPolarHBondContact O-CB 3.3Å; V248-L252 WeakPolarHBondContact O-CG 3.34Å; V248-L252 PolarHBondContact O-N 3.06Å; V248-L278 HydrophobicContact CG1-CD2 3.86Å
249R92.9Very high89.8Confident99 Ų9950 Ų5037%0.37424%0.243SC..Hα-helixtrans-53.8-51.5174.3176.6-175.9147.5-143.5-3110.8W245 E246 A251 L252 S253 L281W245-R249 HydrophobicContact CZ2-CB 4.3Å; W245-R249 HydrophobicContact CZ2-CG 4.38Å; W245-R249 WeakPolarHBondContact O-CB 3.43Å; W245-R249 PolarHBondContact O-N 3.26Å; E246-R249 VanDerWaalsContact CD-NH1 3.25Å; E246-R249 IonicContact OE1-CZ 3.38Å; E246-R249 IonicContact OE1-NH1 2.65Å; E246-R249 PolarHBondContact OE1-NH1 3.01Å; E246-R249 IonicContact OE2-CZ 2.94Å; E246-R249 IonicContact OE2-NH1 3.97Å; E246-R249 PolarHBondContact OE2-NH1 3.21Å; R249-A251 PolarHBondContact O-N 2.6Å; R249-L252 PolarHBondContact O-N 2.8Å; R249-S253 WeakPolarHBondContact O-CB 3.47Å; R249-S253 PolarHBondContact O-N 3.18Å; R249-S253 PolarHBondContact O-OG 2.94Å; R249-S253 VanDerWaalsContact O-OG 3.07Å; R249-L281 HydrophobicContact CG-CD1 4.07Å
250L91.8Very high89.8Confident94 Ų9449.6 Ų49.649%0.49224%0.242SC..Hα-helixtrans-59.4-46.2178.5-177.264.8000111.7I129 E246 V248 L252 S253 T254I129-L250 HydrophobicContact CD1-CD2 3.9Å; I129-L250 HydrophobicContact CD1-CG 4.43Å; E246-L250 VanDerWaalsContact O-CB 3.28Å; E246-L250 WeakPolarHBondContact O-CB 3.47Å; E246-L250 PolarHBondContact O-N 2.99Å; V248-L250 VanDerWaalsContact C-N 3.34Å; V248-L250 PolarHBondContact O-N 3.25Å; L250-L252 PolarHBondContact O-N 2.99Å; L250-S253 PolarHBondContact O-N 3.27Å; L250-T254 WeakPolarHBondContact O-CB 3.36Å; L250-T254 PolarHBondContact O-N 3.33Å; L250-T254 PolarHBondContact O-OG1 3.35Å
251A92Very high89.8Confident2 Ų251.1 Ų51.12%0.01725%0.248CC..Hα-helixtrans-65.3-38.3-178.800000113C125 R247 V248 R249 T254C125-A251 HydrophobicContact CB-CB 3.76Å; R247-A251 VanDerWaalsContact O-CB 3.3Å; R247-A251 WeakPolarHBondContact O-CB 3.34Å; R247-A251 PolarHBondContact O-N 3.12Å; V248-A251 PolarHBondContact O-N 2.96Å; R249-A251 PolarHBondContact O-N 2.6Å; A251-T254 PolarHBondContact O-N 3.48Å
252L91.1Very high89.9Confident27 Ų2749.6 Ų49.614%0.14124%0.24CC..Hα-helixtrans-70.9-35.8176.6-70.5174.1000112.4I238 V248 R249 L250 T254 L260 L278 L281 L282I238-L252 HydrophobicContact CD1-CD2 4.15Å; V248-L252 HydrophobicContact CG1-CD1 3.81Å; V248-L252 HydrophobicContact CG1-CG 4.27Å; V248-L252 WeakPolarHBondContact O-CB 3.3Å; V248-L252 WeakPolarHBondContact O-CG 3.34Å; V248-L252 PolarHBondContact O-N 3.06Å; R249-L252 PolarHBondContact O-N 2.8Å; L250-L252 PolarHBondContact O-N 2.99Å; L252-T254 VanDerWaalsContact C-N 3.29Å; L252-L260 HydrophobicContact CD2-CB 4.29Å; L252-L260 HydrophobicContact CD2-CD2 4.02Å; L252-L260 HydrophobicContact CD2-CG 4.27Å; L252-L278 HydrophobicContact CD1-CD2 3.74Å; L252-L281 HydrophobicContact CB-CB 4.23Å; L252-L281 HydrophobicContact CB-CD1 4.35Å; L252-L282 HydrophobicContact CD1-CD2 4Å; L252-L282 HydrophobicContact CD2-CD2 3.94Å
253S89.6Confident90.1Very high62 Ų6249.1 Ų49.143%0.43423%0.225SC..Hα-helixtrans-78.4-11.3174.7-56.50000113.5R249 L250 S255 L281R249-S253 WeakPolarHBondContact O-CB 3.47Å; R249-S253 PolarHBondContact O-N 3.18Å; R249-S253 PolarHBondContact O-OG 2.94Å; R249-S253 VanDerWaalsContact O-OG 3.07Å; L250-S253 PolarHBondContact O-N 3.27Å; S253-S255 PolarHBondContact O-N 2.77Å; S253-L281 WeakPolarHBondContact OG-CD1 3.39Å; S253-L281 WeakPolarHBondContact OG-CD2 3.48Å
254T87.9Confident90.4Very high21 Ų2143.2 Ų43.213%0.12920%0.203CC..  trans-76.6119.1-176.6-68.40000110.8V128 K132 L250 A251 L252V128-T254 HydrophobicContact CG1-CG2 4.13Å; K132-T254 HydrophobicContact CB-CG2 4Å; K132-T254 HydrophobicContact CD-CG2 3.47Å; K132-T254 VanDerWaalsContact CD-CG2 3.47Å; K132-T254 HydrophobicContact CG-CG2 4.29Å; L250-T254 WeakPolarHBondContact O-CB 3.36Å; L250-T254 PolarHBondContact O-N 3.33Å; L250-T254 PolarHBondContact O-OG1 3.35Å; A251-T254 PolarHBondContact O-N 3.48Å; L252-T254 VanDerWaalsContact C-N 3.29Å
255S85.6Confident90.6Very high40 Ų4043.3 Ų43.328%0.2820%0.203SC..  trans-79.9138.9164.755.20000110.9K132 S253K132-S255 WeakPolarHBondContact CD-O 3.47Å; S253-S255 PolarHBondContact O-N 2.77Å
256G86.9Confident90.7Very high7 Ų744.4 Ų44.47%0.07221%0.207CC..SBendtrans172.2-176.1-177.700000113.6L258G256-L258 PolarHBondContact O-N 3.01Å
257P88.3Confident90.8Very high7 Ų739.7 Ų39.75%0.04519%0.186CC..SBendtrans-67.3-17.9-178.529.3-37.5000113.2L89 A131 A135 L231 V232L89-P257 HydrophobicContact CD1-CB 4.18Å; L89-P257 HydrophobicContact CD1-CG 3.95Å; L89-P257 HydrophobicContact CD2-CB 4.47Å; A131-P257 HydrophobicContact CB-CG 4.12Å; A135-P257 HydrophobicContact CB-CG 4.07Å; L231-P257 HydrophobicContact CB-CB 4.35Å; L231-P257 HydrophobicContact CD1-CB 3.88Å; L231-P257 HydrophobicContact CG-CB 4.12Å; L231-P257 PolarHBondContact N-O 3.27Å; V232-P257 PolarHBondContact N-O 3.33Å
258L91.5Very high90.7Very high2 Ų235.2 Ų35.21%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-110.4128.2173-61.5-175.1000109.7V85 V86 L89 M127 V128 A131 V232 G256V85-L258 HydrophobicContact CG1-CD2 4.26Å; V86-L258 HydrophobicContact CG2-CD1 4.2Å; L89-L258 HydrophobicContact CD1-CD1 4.28Å; L89-L258 HydrophobicContact CD1-CD2 3.93Å; L89-L258 HydrophobicContact CD1-CG 3.88Å; L89-L258 HydrophobicContact CD2-CD2 3.85Å; L89-L258 HydrophobicContact CG-CD2 4.32Å; M127-L258 HydrophobicContact CE-CD1 4.01Å; M127-L258 HydrophobicContact CG-CD1 3.86Å; M127-L258 HydrophobicContact SD-CD1 4.16Å; V128-L258 HydrophobicContact CG2-CB 4.36Å; A131-L258 HydrophobicContact CB-CB 4.32Å; A131-L258 HydrophobicContact CB-CD1 3.42Å; A131-L258 VanDerWaalsContact CB-CD1 3.42Å; A131-L258 HydrophobicContact CB-CG 3.62Å; V232-L258 HydrophobicContact CB-CD2 3.54Å; V232-L258 HydrophobicContact CG1-CD2 4.3Å; V232-L258 HydrophobicContact CG2-CD2 4.08Å; V232-L258 WeakPolarHBondContact O-CA 3.32Å; G256-L258 PolarHBondContact O-N 3.01Å
259K90.9Very high90.4Very high104 Ų10441.5 Ų41.545%0.45220%0.199SC..EExtended strand (participates in β ladder)trans-116.2119.3172.8-171.6165.3-175.51680110.6V230 V232 V234V230-K259 HydrophobicContact CB-CB 4.47Å; V230-K259 HydrophobicContact CG1-CB 3.54Å; V230-K259 HydrophobicContact CG2-CB 4.02Å; V230-K259 HydrophobicContact CG2-CD 4.02Å; V232-K259 PolarHBondContact O-N 3.35Å; V234-K259 PolarHBondContact N-O 2.84Å
260L92Very high90.2Very high10 Ų1037.2 Ų37.25%0.05218%0.184CC..EExtended strand (participates in β ladder)trans-79.4136176.5-170.165.3000110.4L124 V128 V234 A236 I238 L252L124-L260 HydrophobicContact CB-CD1 4.48Å; V128-L260 HydrophobicContact CG2-CB 4.29Å; V234-L260 HydrophobicContact CB-CD1 4.14Å; V234-L260 HydrophobicContact CG1-CD1 3.92Å; V234-L260 CarbonylContact O-C 3.6Å; A236-L260 HydrophobicContact CB-CD1 4.25Å; I238-L260 HydrophobicContact CD1-CD2 3.7Å; I238-L260 HydrophobicContact CD1-CG 4.08Å; L252-L260 HydrophobicContact CD2-CB 4.29Å; L252-L260 HydrophobicContact CD2-CD2 4.02Å; L252-L260 HydrophobicContact CD2-CG 4.27Å
261Q91.2Very high90.1Very high31 Ų3135.7 Ų35.715%0.14518%0.181CC..EExtended strand (participates in β ladder)trans-130.4124.9174.9-67.3-169.7-7.900110.1Q233 V234 R235 A236Q233-Q261 VanDerWaalsContact CD-CD 3.47Å; Q233-Q261 VanDerWaalsContact CG-CD 3.47Å; Q233-Q261 HydrophobicContact CG-CG 4.07Å; V234-Q261 PolarHBondContact O-N 2.76Å; R235-Q261 WeakPolarHBondContact CA-O 3.39Å; R235-Q261 HydrophobicContact CG-CB 4.48Å; A236-Q261 PolarHBondContact N-O 2.98Å
262C91.8Very high89.9Confident0 Ų036.4 Ų36.40%019%0.185CC..EExtended strand (participates in β ladder)trans-87.4126.7178.8-167.90000110.1A236 I238 Y264 L282 S286A236-C262 WeakPolarHBondContact O-CA 3.44Å; I238-C262 HydrophobicContact CD1-CB 3.61Å; I238-C262 HydrophobicContact CG1-CB 4.02Å; C262-Y264 VanDerWaalsContact SG-C 3.52Å; C262-Y264 PolarHBondContact SG-O 2.64Å; C262-L282 HydrophobicContact CB-CD1 4.13Å; C262-L282 HydrophobicContact CB-CD2 3.46Å; C262-L282 VanDerWaalsContact CB-CD2 3.46Å; C262-L282 HydrophobicContact CB-CG 4.45Å; C262-S286 CarbonylContact O-C 3.59Å; C262-S286 WeakPolarHBondContact O-CB 3.41Å; C262-S286 PolarHBondContact O-OG 3.12Å
263R90.4Very high89.9Confident55 Ų5538.6 Ų38.621%0.20820%0.201CC..EExtended strand (participates in β ladder)trans-94.8-48.7167.3-77.3-164.5175.8147.9-10.1112.7D100 A236 S286 L288 G289D100-R263 IonicContact OD1-NH1 2.71Å; D100-R263 PolarHBondContact OD1-NH1 3.23Å; D100-R263 IonicContact OD2-CZ 2.98Å; D100-R263 IonicContact OD2-NH1 2.6Å; D100-R263 PolarHBondContact OD2-NH1 3.15Å; D100-R263 IonicContact OD2-NH2 3.43Å; A236-R263 PolarHBondContact O-N 3.34Å; R263-S286 WeakPolarHBondContact CA-O 3.45Å; R263-L288 PolarHBondContact O-N 3.44Å; R263-G289 PolarHBondContact O-N 3Å
264Y91.4Very high89.9Confident83 Ų8336.9 Ų36.933%0.32519%0.189SC..EExtended strand (participates in β ladder)trans-119.9126.7173.4-72.5-87.6000110.1D237 I238 C262 L288 G289D237-Y264 CarbonylContact C-O 3.18Å; D237-Y264 VanDerWaalsContact CA-O 3.3Å; D237-Y264 WeakPolarHBondContact CA-O 3.48Å; D237-Y264 PolarHBondContact OD1-N 3.45Å; I238-Y264 PolarHBondContact N-O 2.92Å; C262-Y264 VanDerWaalsContact SG-C 3.52Å; C262-Y264 PolarHBondContact SG-O 2.64Å; Y264-L288 HydrophobicContact CE1-CB 4.29Å; Y264-L288 HydrophobicContact CE2-CB 4.1Å; Y264-L288 HydrophobicContact CE2-CD1 4.23Å; Y264-G289 WeakPolarHBondContact CA-O 3.35Å
265L92.8Very high90.1Very high3 Ų335.9 Ų35.92%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-107.3111.4178.6-177.766.5000109.4I238 V240 V267 L279 L282 L287 G289 I290 D291I238-L265 HydrophobicContact CB-CD1 4.08Å; I238-L265 HydrophobicContact CG2-CD1 4.1Å; V240-L265 HydrophobicContact CG2-CD1 3.83Å; L265-V267 HydrophobicContact CD1-CG2 4.2Å; L265-V267 HydrophobicContact CD2-CG2 3.97Å; L265-V267 HydrophobicContact CG-CG2 3.73Å; L265-L279 HydrophobicContact CD2-CD2 4.32Å; L265-L282 HydrophobicContact CD2-CD1 4.18Å; L265-L287 HydrophobicContact CB-CD1 3.8Å; L265-G289 PolarHBondContact N-O 2.72Å; L265-I290 HydrophobicContact CD2-CD1 4.44Å; L265-I290 CarbonylContact O-C 3.5Å; L265-I290 WeakPolarHBondContact O-CA 3.37Å; L265-D291 PolarHBondContact O-N 3.29Å
266R92.3Very high90.4Very high62 Ų6237.8 Ų37.823%0.23418%0.184CC..EExtended strand (participates in β ladder)trans-101.7129.2168.6-179.1168.7162.2-167.1-9.7109.7D107 I238 F239 V240 E268 D291 R293D107-R266 IonicContact OD1-NH1 2.88Å; I238-R266 PolarHBondContact O-N 2.77Å; F239-R266 CarbonylContact C-O 3.57Å; F239-R266 WeakPolarHBondContact CA-O 3.4Å; F239-R266 HydrophobicContact CD2-CB 3.82Å; F239-R266 HydrophobicContact CD2-CG 3.55Å; F239-R266 HydrophobicContact CE2-CB 4.48Å; F239-R266 HydrophobicContact CE2-CG 3.72Å; V240-R266 PolarHBondContact N-O 3.31Å; R266-E268 HydrophobicContact CG-CG 4.5Å; R266-E268 IonicContact CZ-OE1 3.75Å; R266-E268 IonicContact NE-OE1 3.17Å; R266-E268 PolarHBondContact NE-OE1 2.87Å; R266-E268 IonicContact NH2-OE1 3.28Å; R266-E268 PolarHBondContact NH2-OE1 3.13Å; R266-D291 CarbonylContact C-O 3.6Å; R266-D291 VanDerWaalsContact CA-O 3.25Å; R266-D291 WeakPolarHBondContact CA-O 3.48Å; R266-D291 HydrophobicContact CB-CB 4.11Å; R266-D291 HydrophobicContact CG-CB 4.14Å; R266-R293 VanDerWaalsContact NH2-NH1 3.16Å
267V91.9Very high90.7Very high0 Ų040.1 Ų40.10%020%0.197CC..EExtended strand (participates in β ladder)trans-127.2129.1-175.3-176.90000109.4V240 L265 I270 I275 D291 R293V240-V267 CarbonylContact O-C 3.46Å; V240-V267 WeakPolarHBondContact O-CA 3.49Å; L265-V267 HydrophobicContact CD1-CG2 4.2Å; L265-V267 HydrophobicContact CD2-CG2 3.97Å; L265-V267 HydrophobicContact CG-CG2 3.73Å; V267-I270 HydrophobicContact CG1-CB 3.35Å; V267-I270 HydrophobicContact CG1-CD1 3.61Å; V267-I270 HydrophobicContact CG1-CG1 3.41Å; V267-I270 VanDerWaalsContact CG1-CG1 3.41Å; V267-I270 HydrophobicContact CG1-CG2 4.11Å; V267-I275 HydrophobicContact CG1-CD1 4.29Å; V267-I275 HydrophobicContact CG1-CG1 4.02Å; V267-D291 PolarHBondContact N-O 2.87Å; V267-R293 PolarHBondContact O-N 2.9Å
268E90.3Very high90.9Very high30 Ų3039.8 Ų39.814%0.1420%0.195CC..EExtended strand (participates in β ladder)trans-128.4131.5179.8-56.1-161.4164.300112.1F239 V240 N241 R266 I270 R293F239-E268 HydrophobicContact CE2-CG 3.61Å; F239-E268 WeakPolarHBondContact CE2-OE1 3.48Å; F239-E268 HydrophobicContact CZ-CB 4.34Å; F239-E268 HydrophobicContact CZ-CG 3.67Å; F239-E268 VanDerWaalsContact CZ-OE2 3.22Å; F239-E268 WeakPolarHBondContact CZ-OE2 3.38Å; V240-E268 PolarHBondContact O-N 3.16Å; N241-E268 WeakPolarHBondContact CA-O 3.19Å; R266-E268 HydrophobicContact CG-CG 4.5Å; R266-E268 IonicContact CZ-OE1 3.75Å; R266-E268 IonicContact NE-OE1 3.17Å; R266-E268 PolarHBondContact NE-OE1 2.87Å; R266-E268 IonicContact NH2-OE1 3.28Å; R266-E268 PolarHBondContact NH2-OE1 3.13Å; E268-I270 VanDerWaalsContact O-CG1 3.26Å; E268-I270 WeakPolarHBondContact O-CG1 3.5Å; E268-I270 PolarHBondContact O-N 3.28Å; E268-R293 WeakPolarHBondContact CA-O 3.38Å; E268-R293 HydrophobicContact CG-CB 4.12Å; E268-R293 HydrophobicContact CG-CG 4.5Å
269E86.7Confident90.9Very high132 Ų13239.9 Ų39.962%0.61720%0.195SC*.SBendtrans56.934.1176.3-54.8178.2176.800113.4R293E269-R293 PolarHBondContact N-O 2.62Å
270I88.2Confident91Very high10 Ų1040 Ų405%0.05120%0.201CC..  trans-110.1143.1179.9-55.5-155.6000110.9V240 W245 V267 E268 I275 S295V240-I270 HydrophobicContact CB-CD1 3.78Å; V240-I270 HydrophobicContact CG1-CD1 3.42Å; V240-I270 VanDerWaalsContact CG1-CD1 3.42Å; W245-I270 HydrophobicContact CE3-CD1 4.14Å; W245-I270 HydrophobicContact CE3-CG2 4.4Å; V267-I270 HydrophobicContact CG1-CB 3.35Å; V267-I270 HydrophobicContact CG1-CD1 3.61Å; V267-I270 HydrophobicContact CG1-CG1 3.41Å; V267-I270 VanDerWaalsContact CG1-CG1 3.41Å; V267-I270 HydrophobicContact CG1-CG2 4.11Å; E268-I270 VanDerWaalsContact O-CG1 3.26Å; E268-I270 WeakPolarHBondContact O-CG1 3.5Å; E268-I270 PolarHBondContact O-N 3.28Å; I270-I275 HydrophobicContact CB-CG1 4.37Å; I270-I275 HydrophobicContact CG2-CG1 3.99Å; I270-S295 PolarHBondContact N-OG 3.01Å; I270-S295 WeakPolarHBondContact O-CB 3.46Å; I270-S295 PolarHBondContact O-OG 3.37Å
271S89.2Confident90.9Very high61 Ų6142.3 Ų42.343%0.42721%0.213SC..  trans-74.9154.3176.765.20000113.3P273 S274 I275S271-P273 VanDerWaalsContact C-CD 3.49Å; S271-S274 WeakPolarHBondContact O-CB 3.2Å; S271-S274 PolarHBondContact O-N 2.69Å; S271-S274 VanDerWaalsContact O-N 3.08Å; S271-S274 PolarHBondContact OG-OG 3.26Å; S271-I275 PolarHBondContact O-N 3.04Å
272V88.8Confident90.9Very high17 Ų1741.5 Ų41.510%0.10321%0.209CC..Hα-helixtrans-53.2-45.2179.3-167.80000113.8S274 I275 R276 L297 L305V272-S274 VanDerWaalsContact C-N 3.25Å; V272-S274 PolarHBondContact O-N 2.9Å; V272-I275 PolarHBondContact O-N 3.42Å; V272-R276 PolarHBondContact O-N 3.06Å; V272-L297 HydrophobicContact CB-CD1 4.47Å; V272-L297 HydrophobicContact CG1-CD1 4.22Å; V272-L297 HydrophobicContact CG2-CD1 3.6Å; V272-L305 HydrophobicContact CG1-CD1 4.26Å; V272-L305 HydrophobicContact CG1-CD2 3.89Å; V272-L305 HydrophobicContact CG1-CG 3.85Å
273P90.4Very high90.6Very high74 Ų7443.5 Ų43.548%0.48122%0.222SC..Hα-helixtrans-63.2-32.9178.9-22.534.9000113.2S271 T277S271-P273 VanDerWaalsContact C-CD 3.49Å; P273-T277 WeakPolarHBondContact O-CB 3.37Å; P273-T277 PolarHBondContact O-N 3.46Å; P273-T277 PolarHBondContact O-OG1 2.98Å
274S90.4Very high90.3Very high26 Ų2649.4 Ų49.418%0.18225%0.245CC..Hα-helixtrans-71.8-44.7177.2-54.30000110.1W245 S271 V272 R276 T277 L278W245-S274 WeakPolarHBondContact CH2-O 3.38Å; W245-S274 VanDerWaalsContact CZ3-C 3.49Å; W245-S274 WeakPolarHBondContact CZ3-O 3.44Å; S271-S274 WeakPolarHBondContact O-CB 3.2Å; S271-S274 PolarHBondContact O-N 2.69Å; S271-S274 VanDerWaalsContact O-N 3.08Å; S271-S274 PolarHBondContact OG-OG 3.26Å; V272-S274 VanDerWaalsContact C-N 3.25Å; V272-S274 PolarHBondContact O-N 2.9Å; S274-R276 VanDerWaalsContact C-N 3.34Å; S274-R276 PolarHBondContact O-N 3.29Å; S274-T277 WeakPolarHBondContact O-CB 3.47Å; S274-T277 PolarHBondContact O-N 3.5Å; S274-T277 VanDerWaalsContact O-N 3.08Å; S274-L278 PolarHBondContact O-N 2.97Å
275I91.6Very high90Very high0 Ų053.2 Ų53.20%026%0.263CS..Hα-helixtrans-57-48.5173.4-63.6168.8000110.5V267 I270 S271 V272 T277 L278 L279 I290 V292 L305V267-I275 HydrophobicContact CG1-CD1 4.29Å; V267-I275 HydrophobicContact CG1-CG1 4.02Å; I270-I275 HydrophobicContact CB-CG1 4.37Å; I270-I275 HydrophobicContact CG2-CG1 3.99Å; S271-I275 PolarHBondContact O-N 3.04Å; V272-I275 PolarHBondContact O-N 3.42Å; I275-T277 VanDerWaalsContact C-N 3.28Å; I275-T277 PolarHBondContact O-N 2.85Å; I275-L278 PolarHBondContact O-N 2.94Å; I275-L278 VanDerWaalsContact O-N 3.12Å; I275-L279 HydrophobicContact CG2-CD1 4.07Å; I275-L279 HydrophobicContact CG2-CG 4.31Å; I275-L279 WeakPolarHBondContact O-CG 3.31Å; I275-L279 PolarHBondContact O-N 3.32Å; I275-I290 HydrophobicContact CG2-CD1 4.49Å; I275-V292 HydrophobicContact CD1-CG1 4.02Å; I275-L305 HydrophobicContact CB-CD1 4.33Å; I275-L305 HydrophobicContact CB-CD2 4.31Å; I275-L305 HydrophobicContact CD1-CD1 4.33Å; I275-L305 HydrophobicContact CG2-CD1 3.8Å; I275-L305 HydrophobicContact CG2-CD2 3.97Å
276R92.4Very high89.6Confident80 Ų8053.6 Ų53.630%0.30227%0.266SS..Hα-helixtrans-52-47.7173.6161.7-176.2-73.7161.7-11.6111.9V272 S274 L278 L279 N280 E304 L305 L308V272-R276 PolarHBondContact O-N 3.06Å; S274-R276 VanDerWaalsContact C-N 3.34Å; S274-R276 PolarHBondContact O-N 3.29Å; R276-L278 VanDerWaalsContact C-N 3.31Å; R276-L278 PolarHBondContact O-N 3.1Å; R276-L279 PolarHBondContact O-N 2.93Å; R276-N280 VanDerWaalsContact O-CG 3.3Å; R276-N280 PolarHBondContact O-N 2.72Å; R276-N280 PolarHBondContact O-ND2 2.74Å; R276-E304 IonicContact CZ-OE1 2.77Å; R276-E304 IonicContact NH1-OE1 3.03Å; R276-E304 PolarHBondContact NH1-OE1 2.91Å; R276-E304 IonicContact NH2-OE1 3.05Å; R276-E304 PolarHBondContact NH2-OE1 3.19Å; R276-L305 HydrophobicContact CB-CD2 4.33Å; R276-L308 HydrophobicContact CB-CD1 3.84Å; R276-L308 HydrophobicContact CG-CD1 3.74Å
277T92.6Very high89.6Confident56 Ų5650.6 Ų50.634%0.34426%0.255SS..Hα-helixtrans-62.8-39.1-178.5-610000111.1W245 P273 S274 I275 L281W245-T277 HydrophobicContact CH2-CG2 4.05Å; W245-T277 HydrophobicContact CZ2-CG2 4.28Å; P273-T277 WeakPolarHBondContact O-CB 3.37Å; P273-T277 PolarHBondContact O-N 3.46Å; P273-T277 PolarHBondContact O-OG1 2.98Å; S274-T277 WeakPolarHBondContact O-CB 3.47Å; S274-T277 PolarHBondContact O-N 3.5Å; S274-T277 VanDerWaalsContact O-N 3.08Å; I275-T277 VanDerWaalsContact C-N 3.28Å; I275-T277 PolarHBondContact O-N 2.85Å; T277-L281 WeakPolarHBondContact O-CG 3.14Å; T277-L281 PolarHBondContact O-N 2.99Å
278L92.1Very high89.6Confident0 Ų052.3 Ų52.30%026%0.264CS..Hα-helixtrans-64.7-47.9173.1-75166.1000112.2V240 W245 V248 L252 S274 I275 R276 N280 L281 L282V240-L278 HydrophobicContact CB-CD1 4.4Å; V240-L278 HydrophobicContact CG1-CD1 4.23Å; V240-L278 HydrophobicContact CG2-CD1 4.1Å; W245-L278 HydrophobicContact CE3-CD1 3.82Å; W245-L278 HydrophobicContact CE3-CG 4.1Å; W245-L278 HydrophobicContact CH2-CD1 4.39Å; W245-L278 HydrophobicContact CH2-CD2 4.41Å; W245-L278 HydrophobicContact CH2-CG 3.86Å; W245-L278 HydrophobicContact CZ3-CB 4.45Å; W245-L278 HydrophobicContact CZ3-CD1 3.35Å; W245-L278 HydrophobicContact CZ3-CD2 3.95Å; W245-L278 HydrophobicContact CZ3-CG 3.27Å; V248-L278 HydrophobicContact CG1-CD2 3.86Å; L252-L278 HydrophobicContact CD1-CD2 3.74Å; S274-L278 PolarHBondContact O-N 2.97Å; I275-L278 PolarHBondContact O-N 2.94Å; I275-L278 VanDerWaalsContact O-N 3.12Å; R276-L278 VanDerWaalsContact C-N 3.31Å; R276-L278 PolarHBondContact O-N 3.1Å; L278-N280 PolarHBondContact O-N 2.93Å; L278-L281 WeakPolarHBondContact O-CB 3.43Å; L278-L281 PolarHBondContact O-N 3.05Å; L278-L282 WeakPolarHBondContact O-CG 3.36Å; L278-L282 PolarHBondContact O-N 3Å
279L91.9Very high89.7Confident4 Ų451 Ų512%0.02126%0.257CS..Hα-helixtrans-57.2-40179.6-67.9177.2000111.3L265 I275 R276 L281 L282 L287 I290 L305 L308 L309 F312L265-L279 HydrophobicContact CD2-CD2 4.32Å; I275-L279 HydrophobicContact CG2-CD1 4.07Å; I275-L279 HydrophobicContact CG2-CG 4.31Å; I275-L279 WeakPolarHBondContact O-CG 3.31Å; I275-L279 PolarHBondContact O-N 3.32Å; R276-L279 PolarHBondContact O-N 2.93Å; L279-L281 VanDerWaalsContact C-N 3.27Å; L279-L281 PolarHBondContact O-N 2.86Å; L279-L282 PolarHBondContact O-N 3.16Å; L279-L287 HydrophobicContact CD2-CD2 3.96Å; L279-I290 HydrophobicContact CD2-CD1 4.21Å; L279-L305 HydrophobicContact CD1-CD2 4.3Å; L279-L308 HydrophobicContact CD1-CB 4.1Å; L279-L308 HydrophobicContact CD1-CD1 4.47Å; L279-L309 HydrophobicContact CD1-CD2 3.89Å; L279-L309 HydrophobicContact CD1-CG 4.42Å; L279-L309 HydrophobicContact CD2-CD2 4.09Å; L279-F312 HydrophobicContact CB-CE2 4.39Å; L279-F312 HydrophobicContact CB-CZ 4.47Å; L279-F312 HydrophobicContact CD2-CE2 4.1Å; L279-F312 HydrophobicContact CD2-CZ 4.31Å
280N92.1Very high90Very high107 Ų10744.8 Ų44.857%0.57223%0.229SC*.Hα-helixtrans-66.7-24.7176.7-71.8-20.2000114R276 L278R276-N280 VanDerWaalsContact O-CG 3.3Å; R276-N280 PolarHBondContact O-N 2.72Å; R276-N280 PolarHBondContact O-ND2 2.74Å; L278-N280 PolarHBondContact O-N 2.93Å
281L90.8Very high90.2Very high58 Ų5844.5 Ų44.530%0.30423%0.227SC..Hα-helixtrans-83.8-16.7176.6-67.9172.4000112.8R249 L252 S253 T277 L278 L279R249-L281 HydrophobicContact CG-CD1 4.07Å; L252-L281 HydrophobicContact CB-CB 4.23Å; L252-L281 HydrophobicContact CB-CD1 4.35Å; S253-L281 WeakPolarHBondContact OG-CD1 3.39Å; S253-L281 WeakPolarHBondContact OG-CD2 3.48Å; T277-L281 WeakPolarHBondContact O-CG 3.14Å; T277-L281 PolarHBondContact O-N 2.99Å; L278-L281 WeakPolarHBondContact O-CB 3.43Å; L278-L281 PolarHBondContact O-N 3.05Å; L279-L281 VanDerWaalsContact C-N 3.27Å; L279-L281 PolarHBondContact O-N 2.86Å
282L90.1Very high90.3Very high13 Ų1341.7 Ų41.77%0.06821%0.208CC..SBendtrans-84.8140.5-175.1-69.4176.7000112.4L252 C262 L265 L278 L279 R284 L287 F312L252-L282 HydrophobicContact CD1-CD2 4Å; L252-L282 HydrophobicContact CD2-CD2 3.94Å; C262-L282 HydrophobicContact CB-CD1 4.13Å; C262-L282 HydrophobicContact CB-CD2 3.46Å; C262-L282 VanDerWaalsContact CB-CD2 3.46Å; C262-L282 HydrophobicContact CB-CG 4.45Å; L265-L282 HydrophobicContact CD2-CD1 4.18Å; L278-L282 WeakPolarHBondContact O-CG 3.36Å; L278-L282 PolarHBondContact O-N 3Å; L279-L282 PolarHBondContact O-N 3.16Å; L282-R284 PolarHBondContact O-N 3.32Å; L282-L287 HydrophobicContact CD1-CD1 4.24Å; L282-F312 HydrophobicContact CB-CE1 4.11Å; L282-F312 HydrophobicContact CB-CZ 4.27Å
283P86.3Confident90.3Very high43 Ų4342.8 Ų42.828%0.27921%0.21SC..  trans-63.1134.9171.1-18.628.7000112K285 S286P283-K285 VanDerWaalsContact C-N 3.26Å; P283-K285 PolarHBondContact O-N 3.45Å; P283-K285 VanDerWaalsContact O-N 3.13Å; P283-S286 WeakPolarHBondContact CD-OG 3.49Å; P283-S286 PolarHBondContact O-N 2.84Å; P283-S286 PolarHBondContact O-OG 3.27Å
284R84.8Confident90Very high178 Ų17845 Ų4567%0.67221%0.209SC*.THydrogen-bonded Turntrans-55.7-33.5-176.5-62-174.5-174.2178.50.8114.8L282 F312 P313L282-R284 PolarHBondContact O-N 3.32Å; R284-F312 VanDerWaalsContact O-CD1 3.29Å; R284-F312 WeakPolarHBondContact O-CD1 3.44Å; R284-P313 WeakPolarHBondContact O-CD 3.2Å
285K83.9Confident89.5Confident163 Ų16344 Ų4471%0.70920%0.202SC*.THydrogen-bonded Turntrans-94.911.1-179.1-59.6-171.1177.3-171.70114.3P283P283-K285 VanDerWaalsContact C-N 3.26Å; P283-K285 PolarHBondContact O-N 3.45Å; P283-K285 VanDerWaalsContact O-N 3.13Å
286S84.4Confident88.8Confident11 Ų1148.9 Ų48.98%0.07724%0.236CC..THydrogen-bonded Turntrans-99.7-34.7-175.762.40000113.4C262 R263 P283C262-S286 CarbonylContact O-C 3.59Å; C262-S286 WeakPolarHBondContact O-CB 3.41Å; C262-S286 PolarHBondContact O-OG 3.12Å; R263-S286 WeakPolarHBondContact CA-O 3.45Å; P283-S286 WeakPolarHBondContact CD-OG 3.49Å; P283-S286 PolarHBondContact O-N 2.84Å; P283-S286 PolarHBondContact O-OG 3.27Å
287L91.7Very high88.2Confident0 Ų045.4 Ų45.40%022%0.224CC..  trans-85.8120.6-171.4-167.970.7000111.4L265 L279 L282 G289 F312 L315L265-L287 HydrophobicContact CB-CD1 3.8Å; L279-L287 HydrophobicContact CD2-CD2 3.96Å; L282-L287 HydrophobicContact CD1-CD1 4.24Å; L287-G289 WeakPolarHBondContact CD1-O 3.41Å; L287-F312 HydrophobicContact CB-CD1 3.6Å; L287-F312 HydrophobicContact CB-CE1 3.96Å; L287-F312 HydrophobicContact CB-CG 4.18Å; L287-F312 HydrophobicContact CD2-CD1 4.18Å; L287-F312 HydrophobicContact CD2-CD2 4.25Å; L287-F312 HydrophobicContact CD2-CE1 4.23Å; L287-F312 HydrophobicContact CD2-CE2 4.3Å; L287-F312 HydrophobicContact CD2-CG 4.19Å; L287-F312 HydrophobicContact CD2-CZ 4.29Å; L287-L315 HydrophobicContact CD2-CD1 4.12Å; L287-L315 HydrophobicContact CG-CD1 4.13Å
288L92Very high87.5Confident36 Ų3643.9 Ų43.919%0.18822%0.219CC..  trans-101.6-30.8176.1-60.6179.8000112R263 Y264 E314 L315 N316 S317R263-L288 PolarHBondContact O-N 3.44Å; Y264-L288 HydrophobicContact CE1-CB 4.29Å; Y264-L288 HydrophobicContact CE2-CB 4.1Å; Y264-L288 HydrophobicContact CE2-CD1 4.23Å; L288-E314 HydrophobicContact CD2-CB 3.68Å; L288-E314 WeakPolarHBondContact CD2-O 3.44Å; L288-L315 CarbonylContact O-C 3.59Å; L288-L315 WeakPolarHBondContact O-CA 3.29Å; L288-N316 PolarHBondContact O-N 3.16Å; L288-N316 PolarHBondContact O-OD1 3.12Å; L288-S317 PolarHBondContact O-N 3.16Å
289G92.9Very high86.9Confident1 Ų144.5 Ų44.51%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-154.1152.7178.100000114.7R263 Y264 L265 L287 S317R263-G289 PolarHBondContact O-N 3Å; Y264-G289 WeakPolarHBondContact CA-O 3.35Å; L265-G289 PolarHBondContact N-O 2.72Å; L287-G289 WeakPolarHBondContact CD1-O 3.41Å; G289-S317 CarbonylContact C-O 3.59Å; G289-S317 WeakPolarHBondContact CA-O 3.3Å
290I93.9Very high86.3Confident3 Ų347.6 Ų47.62%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-126.1137.2175.2-168.7174.1000110.2L265 I275 L279 V292 L309 S317 L318 R319L265-I290 HydrophobicContact CD2-CD1 4.44Å; L265-I290 CarbonylContact O-C 3.5Å; L265-I290 WeakPolarHBondContact O-CA 3.37Å; I275-I290 HydrophobicContact CG2-CD1 4.49Å; L279-I290 HydrophobicContact CD2-CD1 4.21Å; I290-V292 HydrophobicContact CD1-CG2 4.04Å; I290-V292 HydrophobicContact CG1-CG2 4.03Å; I290-L309 HydrophobicContact CD1-CD2 3.93Å; I290-L309 HydrophobicContact CG2-CD1 4.29Å; I290-L309 HydrophobicContact CG2-CD2 4.03Å; I290-S317 PolarHBondContact N-O 3.39Å; I290-L318 HydrophobicContact CG2-CD1 3.44Å; I290-L318 VanDerWaalsContact CG2-CD1 3.44Å; I290-R319 PolarHBondContact O-N 3.3Å
291D92.1Very high85.9Confident4 Ų442.8 Ų42.82%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-129108.8178.7-179-13.2000108.4L265 R266 V267 R293 R319 H321L265-D291 PolarHBondContact O-N 3.29Å; R266-D291 CarbonylContact C-O 3.6Å; R266-D291 VanDerWaalsContact CA-O 3.25Å; R266-D291 WeakPolarHBondContact CA-O 3.48Å; R266-D291 HydrophobicContact CB-CB 4.11Å; R266-D291 HydrophobicContact CG-CB 4.14Å; V267-D291 PolarHBondContact N-O 2.87Å; D291-R293 WeakPolarHBondContact OD1-CG 3.33Å; D291-R293 IonicContact OD1-CZ 3.88Å; D291-R293 IonicContact OD1-NE 2.72Å; D291-R293 PolarHBondContact OD1-NE 2.65Å; D291-R293 IonicContact OD1-NH2 3.81Å; D291-R293 IonicContact OD2-CZ 2.74Å; D291-R293 IonicContact OD2-NE 3.47Å; D291-R293 PolarHBondContact OD2-NE 2.83Å; D291-R293 VanDerWaalsContact OD2-NE 3.15Å; D291-R293 IonicContact OD2-NH2 3.46Å; D291-R293 PolarHBondContact OD2-NH2 3.17Å; D291-R319 CarbonylContact C-O 3.59Å; D291-R319 WeakPolarHBondContact CA-O 3.46Å; D291-R319 HydrophobicContact CB-CB 4.15Å; D291-R319 IonicContact OD2-CZ 2.69Å; D291-R319 VanDerWaalsContact OD2-CZ 3.26Å; D291-R319 IonicContact OD2-NE 3.7Å; D291-R319 PolarHBondContact OD2-NE 3.32Å; D291-R319 VanDerWaalsContact OD2-NE 3.14Å; D291-R319 IonicContact OD2-NH2 3.5Å; D291-R319 PolarHBondContact OD2-NH2 3.3Å; D291-H321 IonicContact OD1-CD2 2.99Å; D291-H321 PolarHBondContact OD1-CD2 3.24Å
292V91.1Very high85.6Confident2 Ų240.7 Ų40.71%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-108121.6179.3-174.10000108.3I275 I290 R319 L320 H321 C323I275-V292 HydrophobicContact CD1-CG1 4.02Å; I290-V292 HydrophobicContact CD1-CG2 4.04Å; I290-V292 HydrophobicContact CG1-CG2 4.03Å; V292-R319 PolarHBondContact N-O 2.86Å; V292-L320 HydrophobicContact CB-CD2 3.96Å; V292-L320 HydrophobicContact CG2-CD2 4.15Å; V292-H321 PolarHBondContact O-N 2.8Å; V292-C323 PolarHBondContact O-SG 3.25Å; V292-C323 VanDerWaalsContact O-SG 3.32Å
293R88.9Confident85.4Confident40 Ų4040.8 Ų40.815%0.15122%0.217CC..EExtended strand (participates in β ladder)trans-124.5143.6-179.4-43.4-164.8177.6-175.3-2.2112.2R266 V267 E268 E269 D291 S295 H321R266-R293 VanDerWaalsContact NH2-NH1 3.16Å; V267-R293 PolarHBondContact O-N 2.9Å; E268-R293 WeakPolarHBondContact CA-O 3.38Å; E268-R293 HydrophobicContact CG-CB 4.12Å; E268-R293 HydrophobicContact CG-CG 4.5Å; E269-R293 PolarHBondContact N-O 2.62Å; D291-R293 WeakPolarHBondContact OD1-CG 3.33Å; D291-R293 IonicContact OD1-CZ 3.88Å; D291-R293 IonicContact OD1-NE 2.72Å; D291-R293 PolarHBondContact OD1-NE 2.65Å; D291-R293 IonicContact OD1-NH2 3.81Å; D291-R293 IonicContact OD2-CZ 2.74Å; D291-R293 IonicContact OD2-NE 3.47Å; D291-R293 PolarHBondContact OD2-NE 2.83Å; D291-R293 VanDerWaalsContact OD2-NE 3.15Å; D291-R293 IonicContact OD2-NH2 3.46Å; D291-R293 PolarHBondContact OD2-NH2 3.17Å; R293-S295 PolarHBondContact O-N 2.81Å; R293-H321 CarbonylContact C-O 3.51Å; R293-H321 VanDerWaalsContact CA-O 3.27Å; R293-H321 WeakPolarHBondContact CA-O 3.45Å; R293-H321 HydrophobicContact CB-CB 4.26Å; R293-H321 HydrophobicContact CG-CB 4Å
294Y82.9Confident85.4Confident120 Ų12042.5 Ų42.547%0.47122%0.221SC..SBendtrans54.423.9171.1-47.5-68.9000114.4H321 Y322Y294-H321 PolarHBondContact N-O 3.3Å; Y294-Y322 HydrophobicContact CD1-CD2 4.08Å; Y294-Y322 HydrophobicContact CD1-CG 4.08Å; Y294-Y322 AromaticContact CE1-CD2 3.47Å; Y294-Y322 HydrophobicContact CE1-CD2 3.47Å; Y294-Y322 VanDerWaalsContact CE1-CD2 3.47Å; Y294-Y322 HydrophobicContact CE1-CE2 4.11Å; Y294-Y322 AromaticContact CE1-CG 3.83Å; Y294-Y322 HydrophobicContact CE1-CG 3.83Å
295S80.9Confident85.6Confident4 Ų434.2 Ų34.23%0.02819%0.19CC..  trans-97.9135.8177.9-77.80000109.8I270 R293 L297 C323I270-S295 PolarHBondContact N-OG 3.01Å; I270-S295 WeakPolarHBondContact O-CB 3.46Å; I270-S295 PolarHBondContact O-OG 3.37Å; R293-S295 PolarHBondContact O-N 2.81Å; S295-L297 PolarHBondContact O-N 2.89Å; S295-C323 CarbonylContact O-C 3.47Å; S295-C323 WeakPolarHBondContact O-CA 3.32Å
296S76.9Confident86Confident103 Ų10326.5 Ų26.572%0.7216%0.156SC*.  trans-74.965.9171.462.50000110.8
297L79.4Confident86.3Confident8 Ų829.2 Ų29.24%0.04217%0.174CC..  trans-69.3-47.8-176.8-17560000110.3V272 S295 G301 L302 L305 L320 C323 L325V272-L297 HydrophobicContact CB-CD1 4.47Å; V272-L297 HydrophobicContact CG1-CD1 4.22Å; V272-L297 HydrophobicContact CG2-CD1 3.6Å; S295-L297 PolarHBondContact O-N 2.89Å; L297-G301 VanDerWaalsContact O-CA 3.28Å; L297-G301 WeakPolarHBondContact O-CA 3.34Å; L297-G301 PolarHBondContact O-N 3.07Å; L297-L302 HydrophobicContact CD2-CB 3.73Å; L297-L302 HydrophobicContact CD2-CD1 3.95Å; L297-L302 HydrophobicContact CD2-CG 4.37Å; L297-L302 HydrophobicContact CG-CB 4.06Å; L297-L305 HydrophobicContact CD1-CD1 3.57Å; L297-L305 HydrophobicContact CD1-CG 4.31Å; L297-L320 HydrophobicContact CD2-CD2 4.27Å; L297-C323 HydrophobicContact CB-CB 4.1Å; L297-C323 PolarHBondContact N-O 3.33Å; L297-L325 HydrophobicContact CB-CD2 4.37Å; L297-L325 HydrophobicContact CD2-CD2 4.38Å; L297-L325 HydrophobicContact CG-CD2 4.38Å
298G78.4Confident86.2Confident23 Ų2330.8 Ų30.824%0.23718%0.182CC..Hα-helixtrans60.6170-170.700000112.6A300 G301 L302 C323 L325G298-A300 VanDerWaalsContact C-N 3.32Å; G298-A300 PolarHBondContact O-N 3.49Å; G298-G301 PolarHBondContact O-N 3.44Å; G298-L302 PolarHBondContact O-N 3.21Å; G298-L302 VanDerWaalsContact O-N 3.16Å; G298-C323 PolarHBondContact N-O 2.74Å; G298-L325 WeakPolarHBondContact O-CD2 3.37Å
299V78.6Confident86.2Confident14 Ų1429.2 Ų29.29%0.08517%0.174CC..Hα-helixtrans-62.5-41.9-177.1-170.20000111L302 A303 D326 I327 V337 L341V299-L302 PolarHBondContact O-N 2.88Å; V299-A303 PolarHBondContact O-N 3.37Å; V299-D326 WeakPolarHBondContact CG2-O 3.38Å; V299-I327 HydrophobicContact CG1-CD1 4.23Å; V299-I327 HydrophobicContact CG1-CG1 4.2Å; V299-I327 HydrophobicContact CG2-CD1 4.37Å; V299-I327 HydrophobicContact CG2-CG1 3.6Å; V299-V337 HydrophobicContact CB-CG1 4.23Å; V299-V337 HydrophobicContact CG1-CB 4.33Å; V299-V337 HydrophobicContact CG1-CG1 3.54Å; V299-L341 HydrophobicContact CG1-CD1 3.3Å; V299-L341 HydrophobicContact CG1-CG 4.27Å
300A80.2Confident86.1Confident68 Ų6831.1 Ų31.156%0.56219%0.187SC*.Hα-helixtrans-65.9-41.2179.300000112.7G298 L302 A303 E304G298-A300 VanDerWaalsContact C-N 3.32Å; G298-A300 PolarHBondContact O-N 3.49Å; A300-L302 VanDerWaalsContact C-N 3.35Å; A300-A303 PolarHBondContact O-N 2.86Å; A300-E304 WeakPolarHBondContact O-CB 3.22Å; A300-E304 PolarHBondContact O-N 2.94Å
301G82.8Confident86Confident6 Ų633.9 Ų33.96%0.06220%0.204CC..Hα-helixtrans-66.9-36.6177.500000112.2L297 G298 E304 L305L297-G301 VanDerWaalsContact O-CA 3.28Å; L297-G301 WeakPolarHBondContact O-CA 3.34Å; L297-G301 PolarHBondContact O-N 3.07Å; G298-G301 PolarHBondContact O-N 3.44Å; G301-E304 WeakPolarHBondContact O-CB 3.45Å; G301-E304 PolarHBondContact O-N 3Å; G301-L305 WeakPolarHBondContact O-CG 3.46Å; G301-L305 PolarHBondContact O-N 3.5Å
302L86Confident86Confident14 Ų1434 Ų347%0.07320%0.204CC..Hα-helixtrans-65.7-45.2174-179.561.5000111.1L297 G298 V299 A300 E304 L305 L306 L320 L325 L341L297-L302 HydrophobicContact CD2-CB 3.73Å; L297-L302 HydrophobicContact CD2-CD1 3.95Å; L297-L302 HydrophobicContact CD2-CG 4.37Å; L297-L302 HydrophobicContact CG-CB 4.06Å; G298-L302 PolarHBondContact O-N 3.21Å; G298-L302 VanDerWaalsContact O-N 3.16Å; V299-L302 PolarHBondContact O-N 2.88Å; A300-L302 VanDerWaalsContact C-N 3.35Å; L302-E304 PolarHBondContact O-N 3.42Å; L302-L305 PolarHBondContact O-N 3.39Å; L302-L306 HydrophobicContact CD1-CD2 4.39Å; L302-L306 HydrophobicContact CD1-CG 4.2Å; L302-L306 HydrophobicContact CG-CD1 4.27Å; L302-L306 HydrophobicContact CG-CG 4.29Å; L302-L306 WeakPolarHBondContact O-CG 3.33Å; L302-L306 PolarHBondContact O-N 2.96Å; L302-L320 HydrophobicContact CD1-CD1 3.78Å; L302-L320 HydrophobicContact CD2-CD1 3.82Å; L302-L320 HydrophobicContact CG-CD1 4.47Å; L302-L325 HydrophobicContact CB-CD2 4.28Å; L302-L325 HydrophobicContact CD2-CD1 3.88Å; L302-L341 HydrophobicContact CB-CD2 3.88Å; L302-L341 HydrophobicContact CD2-CD2 3.74Å; L302-L341 HydrophobicContact CG-CD2 3.59Å
303A84.9Confident85.9Confident16 Ų1637.6 Ų37.613%0.13223%0.227CC..Hα-helixtrans-58.6-33.4175.800000112.1V299 A300 P307 V337 D340 L341V299-A303 PolarHBondContact O-N 3.37Å; A300-A303 PolarHBondContact O-N 2.86Å; A303-P307 WeakPolarHBondContact O-CD 3.42Å; A303-V337 HydrophobicContact CB-CG1 4.09Å; A303-D340 HydrophobicContact CB-CB 4.4Å; A303-L341 HydrophobicContact CB-CD2 3.85Å; A303-L341 HydrophobicContact CB-CG 4.09Å
304E86.6Confident86Confident79 Ų7940.2 Ų40.237%0.36924%0.242SC..Hα-helixtrans-73.5-30.9175.9-175.1176.4-156.200113.3R276 A300 G301 L302R276-E304 IonicContact CZ-OE1 2.77Å; R276-E304 IonicContact NH1-OE1 3.03Å; R276-E304 PolarHBondContact NH1-OE1 2.91Å; R276-E304 IonicContact NH2-OE1 3.05Å; R276-E304 PolarHBondContact NH2-OE1 3.19Å; A300-E304 WeakPolarHBondContact O-CB 3.22Å; A300-E304 PolarHBondContact O-N 2.94Å; G301-E304 WeakPolarHBondContact O-CB 3.45Å; G301-E304 PolarHBondContact O-N 3Å; L302-E304 PolarHBondContact O-N 3.42Å
305L90.1Very high86.5Confident4 Ų434.7 Ų34.72%0.02122%0.22CC..Hα-helixtrans-85-32.5179.5-69-177.2000113.6V272 I275 R276 L279 L297 G301 L302 L308 L309V272-L305 HydrophobicContact CG1-CD1 4.26Å; V272-L305 HydrophobicContact CG1-CD2 3.89Å; V272-L305 HydrophobicContact CG1-CG 3.85Å; I275-L305 HydrophobicContact CB-CD1 4.33Å; I275-L305 HydrophobicContact CB-CD2 4.31Å; I275-L305 HydrophobicContact CD1-CD1 4.33Å; I275-L305 HydrophobicContact CG2-CD1 3.8Å; I275-L305 HydrophobicContact CG2-CD2 3.97Å; R276-L305 HydrophobicContact CB-CD2 4.33Å; L279-L305 HydrophobicContact CD1-CD2 4.3Å; L297-L305 HydrophobicContact CD1-CD1 3.57Å; L297-L305 HydrophobicContact CD1-CG 4.31Å; G301-L305 WeakPolarHBondContact O-CG 3.46Å; G301-L305 PolarHBondContact O-N 3.5Å; L302-L305 PolarHBondContact O-N 3.39Å; L305-L308 HydrophobicContact CD2-CD1 4.22Å; L305-L308 WeakPolarHBondContact O-CA 3.34Å; L305-L308 WeakPolarHBondContact O-CB 3.49Å; L305-L308 PolarHBondContact O-N 2.9Å; L305-L309 PolarHBondContact O-N 3.1Å
306L91Very high87.1Confident0 Ų036.7 Ų36.70%023%0.231CC..Hα-helixtrans-55.4-42.9-176.5-75169.1000113.9L302 L308 L309 S310 L341 L345 L348L302-L306 HydrophobicContact CD1-CD2 4.39Å; L302-L306 HydrophobicContact CD1-CG 4.2Å; L302-L306 HydrophobicContact CG-CD1 4.27Å; L302-L306 HydrophobicContact CG-CG 4.29Å; L302-L306 WeakPolarHBondContact O-CG 3.33Å; L302-L306 PolarHBondContact O-N 2.96Å; L306-L308 PolarHBondContact O-N 2.97Å; L306-L309 HydrophobicContact CD2-CD1 4.49Å; L306-L309 PolarHBondContact O-N 3.09Å; L306-L309 VanDerWaalsContact O-N 3.14Å; L306-S310 PolarHBondContact O-N 2.91Å; L306-L341 HydrophobicContact CD1-CB 4.47Å; L306-L341 HydrophobicContact CD1-CD2 3.58Å; L306-L341 WeakPolarHBondContact CD1-O 3.42Å; L306-L345 HydrophobicContact CD1-CD2 4.46Å; L306-L345 HydrophobicContact CD1-CG 4.09Å; L306-L345 HydrophobicContact CD2-CD2 3.8Å; L306-L345 HydrophobicContact CD2-CG 4.26Å; L306-L348 HydrophobicContact CD2-CD1 4.02Å
307P90.3Very high87.9Confident69 Ų6931.9 Ų31.945%0.44820%0.197SC..Hα-helixtrans-63.2-25.3174.7-23.534.2000114A303 S310A303-P307 WeakPolarHBondContact O-CD 3.42Å; P307-S310 PolarHBondContact O-OG 3.32Å
308L90.9Very high88.6Confident33 Ų3331.6 Ų31.617%0.17320%0.195CC..Hα-helixtrans-77.9-40.8173.6-59.9173.1000110.3R276 L279 L305 L306 S310 T311 F312R276-L308 HydrophobicContact CB-CD1 3.84Å; R276-L308 HydrophobicContact CG-CD1 3.74Å; L279-L308 HydrophobicContact CD1-CB 4.1Å; L279-L308 HydrophobicContact CD1-CD1 4.47Å; L305-L308 HydrophobicContact CD2-CD1 4.22Å; L305-L308 WeakPolarHBondContact O-CA 3.34Å; L305-L308 WeakPolarHBondContact O-CB 3.49Å; L305-L308 PolarHBondContact O-N 2.9Å; L306-L308 PolarHBondContact O-N 2.97Å; L308-S310 VanDerWaalsContact C-N 3.29Å; L308-S310 PolarHBondContact O-N 3.19Å; L308-T311 WeakPolarHBondContact O-CB 3.28Å; L308-T311 PolarHBondContact O-N 3.02Å; L308-T311 VanDerWaalsContact O-N 3.13Å; L308-T311 PolarHBondContact O-OG1 2.97Å; L308-F312 WeakPolarHBondContact O-CD2 3.43Å; L308-F312 WeakPolarHBondContact O-CE2 3.49Å
309L91.7Very high89.2Confident3 Ų334 Ų342%0.01620%0.197CC..Hα-helixtrans-63.7-34.4177.2-67176.9000112.2L279 I290 L305 L306 T311 F312 L315 L318 L348L279-L309 HydrophobicContact CD1-CD2 3.89Å; L279-L309 HydrophobicContact CD1-CG 4.42Å; L279-L309 HydrophobicContact CD2-CD2 4.09Å; I290-L309 HydrophobicContact CD1-CD2 3.93Å; I290-L309 HydrophobicContact CG2-CD1 4.29Å; I290-L309 HydrophobicContact CG2-CD2 4.03Å; L305-L309 PolarHBondContact O-N 3.1Å; L306-L309 HydrophobicContact CD2-CD1 4.49Å; L306-L309 PolarHBondContact O-N 3.09Å; L306-L309 VanDerWaalsContact O-N 3.14Å; L309-T311 PolarHBondContact O-N 3.02Å; L309-T311 VanDerWaalsContact O-N 3.17Å; L309-F312 WeakPolarHBondContact O-CD2 3.4Å; L309-F312 PolarHBondContact O-N 2.82Å; L309-F312 VanDerWaalsContact O-N 3.1Å; L309-L315 HydrophobicContact CB-CD2 3.91Å; L309-L315 HydrophobicContact CD2-CD2 4.22Å; L309-L315 HydrophobicContact CG-CD2 4.49Å; L309-L318 HydrophobicContact CD1-CD1 4.18Å; L309-L348 HydrophobicContact CB-CD2 4.09Å
310S90.6Very high89.8Confident41 Ų4133.4 Ų33.429%0.28719%0.194SC..THydrogen-bonded Turntrans-67.1-13175.568.10000114.2L306 P307 L308 F312L306-S310 PolarHBondContact O-N 2.91Å; P307-S310 PolarHBondContact O-OG 3.32Å; L308-S310 VanDerWaalsContact C-N 3.29Å; L308-S310 PolarHBondContact O-N 3.19Å; S310-F312 PolarHBondContact O-N 3.28Å
311T91.4Very high90Very high60 Ų6031.3 Ų31.337%0.36817%0.172SC..THydrogen-bonded Turntrans-74.2-10173.173.20000113.4L308 L309 P313L308-T311 WeakPolarHBondContact O-CB 3.28Å; L308-T311 PolarHBondContact O-N 3.02Å; L308-T311 VanDerWaalsContact O-N 3.13Å; L308-T311 PolarHBondContact O-OG1 2.97Å; L309-T311 PolarHBondContact O-N 3.02Å; L309-T311 VanDerWaalsContact O-N 3.17Å; T311-P313 WeakPolarHBondContact O-CD 3.41Å
312F92.4Very high89.9Confident7 Ų735.9 Ų35.93%0.03119%0.188CC..  trans-102.1101.6178.4-59.5-87.2000109.9L279 L282 R284 L287 L308 L309 S310 E314 L315L279-F312 HydrophobicContact CB-CE2 4.39Å; L279-F312 HydrophobicContact CB-CZ 4.47Å; L279-F312 HydrophobicContact CD2-CE2 4.1Å; L279-F312 HydrophobicContact CD2-CZ 4.31Å; L282-F312 HydrophobicContact CB-CE1 4.11Å; L282-F312 HydrophobicContact CB-CZ 4.27Å; R284-F312 VanDerWaalsContact O-CD1 3.29Å; R284-F312 WeakPolarHBondContact O-CD1 3.44Å; L287-F312 HydrophobicContact CB-CD1 3.6Å; L287-F312 HydrophobicContact CB-CE1 3.96Å; L287-F312 HydrophobicContact CB-CG 4.18Å; L287-F312 HydrophobicContact CD2-CD1 4.18Å; L287-F312 HydrophobicContact CD2-CD2 4.25Å; L287-F312 HydrophobicContact CD2-CE1 4.23Å; L287-F312 HydrophobicContact CD2-CE2 4.3Å; L287-F312 HydrophobicContact CD2-CG 4.19Å; L287-F312 HydrophobicContact CD2-CZ 4.29Å; L308-F312 WeakPolarHBondContact O-CD2 3.43Å; L308-F312 WeakPolarHBondContact O-CE2 3.49Å; L309-F312 WeakPolarHBondContact O-CD2 3.4Å; L309-F312 PolarHBondContact O-N 2.82Å; L309-F312 VanDerWaalsContact O-N 3.1Å; S310-F312 PolarHBondContact O-N 3.28Å; F312-E314 VanDerWaalsContact C-N 3.29Å; F312-E314 PolarHBondContact O-N 2.96Å; F312-L315 HydrophobicContact CB-CB 4.09Å; F312-L315 WeakPolarHBondContact O-CB 3.14Å; F312-L315 PolarHBondContact O-N 2.92Å
313P89.1Confident89.5Confident77 Ų7735.2 Ų35.250%0.519%0.185SC..THydrogen-bonded Turntrans-71.3-22.3-173.328.5-35.9000113.8R284 T311 E350R284-P313 WeakPolarHBondContact O-CD 3.2Å; T311-P313 WeakPolarHBondContact O-CD 3.41Å; P313-E350 WeakPolarHBondContact O-CG 3.49Å
314E90.4Very high88.9Confident96 Ų9639 Ų3945%0.44920%0.203SC..THydrogen-bonded Turntrans-96.59.4-178.4-61.6179.2-160.300112.5L288 F312 N316L288-E314 HydrophobicContact CD2-CB 3.68Å; L288-E314 WeakPolarHBondContact CD2-O 3.44Å; F312-E314 VanDerWaalsContact C-N 3.29Å; F312-E314 PolarHBondContact O-N 2.96Å; E314-N316 PolarHBondContact O-N 3.49Å; E314-N316 VanDerWaalsContact O-N 3.12Å
315L93.6Very high88.1Confident3 Ų335.6 Ų35.62%0.01619%0.187CC..  trans-70.3107.8-179.4-171.777.9000110.3L287 L288 L309 F312 L348 E350L287-L315 HydrophobicContact CD2-CD1 4.12Å; L287-L315 HydrophobicContact CG-CD1 4.13Å; L288-L315 CarbonylContact O-C 3.59Å; L288-L315 WeakPolarHBondContact O-CA 3.29Å; L309-L315 HydrophobicContact CB-CD2 3.91Å; L309-L315 HydrophobicContact CD2-CD2 4.22Å; L309-L315 HydrophobicContact CG-CD2 4.49Å; F312-L315 HydrophobicContact CB-CB 4.09Å; F312-L315 WeakPolarHBondContact O-CB 3.14Å; F312-L315 PolarHBondContact O-N 2.92Å; L315-L348 HydrophobicContact CD2-CD2 4.14Å; L315-E350 CarbonylContact O-C 3.34Å
316N93.6Very high87.1Confident47 Ų4736.5 Ų36.525%0.25119%0.192SC..  trans-111.3-14.6-176.768.720.2000114.4L288 E314 E350 R352 Q353L288-N316 PolarHBondContact O-N 3.16Å; L288-N316 PolarHBondContact O-OD1 3.12Å; E314-N316 PolarHBondContact O-N 3.49Å; E314-N316 VanDerWaalsContact O-N 3.12Å; N316-E350 VanDerWaalsContact CA-O 3.28Å; N316-E350 WeakPolarHBondContact CA-O 3.4Å; N316-E350 WeakPolarHBondContact CB-O 3.26Å; N316-R352 PolarHBondContact O-N 3.28Å; N316-Q353 PolarHBondContact O-N 3.03Å
317S94.3Very high85.8Confident2 Ų236.8 Ų36.81%0.01419%0.193CC..EExtended strand (participates in β ladder)trans-129.4122.8-177.8170.20000112.3L288 G289 I290 Q353L288-S317 PolarHBondContact O-N 3.16Å; G289-S317 CarbonylContact C-O 3.59Å; G289-S317 WeakPolarHBondContact CA-O 3.3Å; I290-S317 PolarHBondContact N-O 3.39Å; S317-Q353 WeakPolarHBondContact CA-O 3.39Å; S317-Q353 PolarHBondContact OG-OE1 2.99Å
318L93.9Very high84.5Confident2 Ų239 Ų391%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-122.7115.4172.5176.659.3000109.2I290 L309 L320 L345 L348 L351 Q353 L354 S355I290-L318 HydrophobicContact CG2-CD1 3.44Å; I290-L318 VanDerWaalsContact CG2-CD1 3.44Å; L309-L318 HydrophobicContact CD1-CD1 4.18Å; L318-L320 HydrophobicContact CD1-CD2 4.06Å; L318-L320 HydrophobicContact CD1-CG 4.19Å; L318-L320 HydrophobicContact CG-CG 4.37Å; L318-L345 HydrophobicContact CD2-CD2 4.32Å; L318-L348 HydrophobicContact CD2-CD1 4.22Å; L318-L351 HydrophobicContact CB-CD1 3.7Å; L318-L351 HydrophobicContact CB-CD2 4.44Å; L318-Q353 PolarHBondContact N-O 3.22Å; L318-L354 HydrophobicContact CB-CD1 4.23Å; L318-L354 HydrophobicContact CD2-CD1 4.17Å; L318-L354 HydrophobicContact CG-CD1 4.2Å; L318-L354 WeakPolarHBondContact O-CA 3.44Å; L318-S355 PolarHBondContact O-N 2.95Å
319R91.7Very high82.6Confident72 Ų7245.6 Ų45.627%0.27222%0.215SC..EExtended strand (participates in β ladder)trans-120.1126.2177.1-55.2-165.8-67.4-154.7-1.5110.5I290 D291 V292 S355I290-R319 PolarHBondContact O-N 3.3Å; D291-R319 CarbonylContact C-O 3.59Å; D291-R319 WeakPolarHBondContact CA-O 3.46Å; D291-R319 HydrophobicContact CB-CB 4.15Å; D291-R319 IonicContact OD2-CZ 2.69Å; D291-R319 VanDerWaalsContact OD2-CZ 3.26Å; D291-R319 IonicContact OD2-NE 3.7Å; D291-R319 PolarHBondContact OD2-NE 3.32Å; D291-R319 VanDerWaalsContact OD2-NE 3.14Å; D291-R319 IonicContact OD2-NH2 3.5Å; D291-R319 PolarHBondContact OD2-NH2 3.3Å; V292-R319 PolarHBondContact N-O 2.86Å; R319-S355 CarbonylContact C-O 3.08Å; R319-S355 WeakPolarHBondContact CA-O 3.48Å
320L89.5Confident80.6Confident3 Ų351.9 Ų51.92%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-128.2104.6-179.6-58.6176.3000108.5V292 L297 L302 L318 L325 S355 L356 T357V292-L320 HydrophobicContact CB-CD2 3.96Å; V292-L320 HydrophobicContact CG2-CD2 4.15Å; L297-L320 HydrophobicContact CD2-CD2 4.27Å; L302-L320 HydrophobicContact CD1-CD1 3.78Å; L302-L320 HydrophobicContact CD2-CD1 3.82Å; L302-L320 HydrophobicContact CG-CD1 4.47Å; L318-L320 HydrophobicContact CD1-CD2 4.06Å; L318-L320 HydrophobicContact CD1-CG 4.19Å; L318-L320 HydrophobicContact CG-CG 4.37Å; L320-L325 HydrophobicContact CD1-CD1 4.08Å; L320-S355 PolarHBondContact N-O 3.31Å; L320-L356 HydrophobicContact CB-CD2 3.97Å; L320-L356 HydrophobicContact CD1-CD2 3.85Å; L320-L356 HydrophobicContact CG-CD2 4.21Å; L320-T357 PolarHBondContact O-N 2.85Å
321H85.3Confident78.8Confident23 Ų2352.9 Ų52.911%0.10625%0.251CS..EExtended strand (participates in β ladder)trans-112.6127.4-177.2-59.6-75.2000111.3D291 V292 R293 Y294 C323 S355 T357D291-H321 IonicContact OD1-CD2 2.99Å; D291-H321 PolarHBondContact OD1-CD2 3.24Å; V292-H321 PolarHBondContact O-N 2.8Å; R293-H321 CarbonylContact C-O 3.51Å; R293-H321 VanDerWaalsContact CA-O 3.27Å; R293-H321 WeakPolarHBondContact CA-O 3.45Å; R293-H321 HydrophobicContact CB-CB 4.26Å; R293-H321 HydrophobicContact CG-CB 4Å; Y294-H321 PolarHBondContact N-O 3.3Å; H321-C323 PolarHBondContact O-N 3.16Å; H321-C323 VanDerWaalsContact O-N 3.11Å; H321-C323 PolarHBondContact O-SG 3.41Å; H321-C323 VanDerWaalsContact O-SG 3.42Å; H321-S355 PolarHBondContact CE1-OG 3.23Å; H321-T357 VanDerWaalsContact CA-OG1 3.22Å; H321-T357 WeakPolarHBondContact CA-OG1 3.41Å; H321-T357 WeakPolarHBondContact CB-OG1 3.11Å; H321-T357 WeakPolarHBondContact ND1-CG2 3.27Å; H321-T357 PolarHBondContact ND1-OG1 2.81Å
322Y81.1Confident76.7Confident103 Ų10360.4 Ų60.440%0.40428%0.279SS..SBendtrans51.339.4176.1-57.8-80.7000113.5Y294 N324 T357 A358Y294-Y322 HydrophobicContact CD1-CD2 4.08Å; Y294-Y322 HydrophobicContact CD1-CG 4.08Å; Y294-Y322 AromaticContact CE1-CD2 3.47Å; Y294-Y322 HydrophobicContact CE1-CD2 3.47Å; Y294-Y322 VanDerWaalsContact CE1-CD2 3.47Å; Y294-Y322 HydrophobicContact CE1-CE2 4.11Å; Y294-Y322 AromaticContact CE1-CG 3.83Å; Y294-Y322 HydrophobicContact CE1-CG 3.83Å; Y322-N324 VanDerWaalsContact C-N 3.28Å; Y322-N324 PolarHBondContact O-N 3.43Å; Y322-T357 PolarHBondContact N-O 2.99Å; Y322-A358 HydrophobicContact CD1-CB 3.48Å; Y322-A358 VanDerWaalsContact CD1-CB 3.48Å; Y322-A358 HydrophobicContact CE1-CB 3.51Å; Y322-A358 HydrophobicContact CG-CB 4.32Å
323C77.4Confident75Confident0 Ų063.4 Ų63.40%031%0.312CS..  trans-87.38.6-175.1-74.40000114.4V292 S295 L297 G298 H321 L325V292-C323 PolarHBondContact O-SG 3.25Å; V292-C323 VanDerWaalsContact O-SG 3.32Å; S295-C323 CarbonylContact O-C 3.47Å; S295-C323 WeakPolarHBondContact O-CA 3.32Å; L297-C323 HydrophobicContact CB-CB 4.1Å; L297-C323 PolarHBondContact N-O 3.33Å; G298-C323 PolarHBondContact N-O 2.74Å; H321-C323 PolarHBondContact O-N 3.16Å; H321-C323 VanDerWaalsContact O-N 3.11Å; H321-C323 PolarHBondContact O-SG 3.41Å; H321-C323 VanDerWaalsContact O-SG 3.42Å; C323-L325 VanDerWaalsContact C-N 3.28Å; C323-L325 HydrophobicContact CB-CG 4.17Å; C323-L325 PolarHBondContact O-N 2.99Å
324N71.3Confident73.8Confident95 Ų9561.7 Ų61.751%0.50830%0.298SS..  trans46.646.2-175.6-168.233.7000113.4Y322 D326 R360Y322-N324 VanDerWaalsContact C-N 3.28Å; Y322-N324 PolarHBondContact O-N 3.43Å; N324-D326 PolarHBondContact O-N 3.36Å; N324-R360 PolarHBondContact OD1-NH2 2.92Å; N324-R360 VanDerWaalsContact OD1-NH2 3.16Å
325L70.8Confident72.7Confident7 Ų764.8 Ų64.84%0.03731%0.312CS..  trans-78.7106.9171.6-50.6172.3000107.7L297 G298 L302 L320 C323 L359 R360L297-L325 HydrophobicContact CB-CD2 4.37Å; L297-L325 HydrophobicContact CD2-CD2 4.38Å; L297-L325 HydrophobicContact CG-CD2 4.38Å; G298-L325 WeakPolarHBondContact O-CD2 3.37Å; L302-L325 HydrophobicContact CB-CD2 4.28Å; L302-L325 HydrophobicContact CD2-CD1 3.88Å; L320-L325 HydrophobicContact CD1-CD1 4.08Å; C323-L325 VanDerWaalsContact C-N 3.28Å; C323-L325 HydrophobicContact CB-CG 4.17Å; C323-L325 PolarHBondContact O-N 2.99Å; L325-L359 HydrophobicContact CB-CB 4.37Å; L325-L359 HydrophobicContact CB-CD1 4.27Å; L325-L359 HydrophobicContact CB-CD2 3.75Å; L325-L359 HydrophobicContact CB-CG 4.34Å; L325-L359 HydrophobicContact CD1-CD1 3.64Å; L325-L359 HydrophobicContact CD1-CD2 3.8Å; L325-L359 HydrophobicContact CD1-CG 4.34Å; L325-L359 HydrophobicContact CG-CD1 4.37Å; L325-L359 HydrophobicContact CG-CD2 3.76Å; L325-R360 PolarHBondContact O-N 3.22Å
326D68.6Low71.7Confident24 Ų2466.4 Ų66.413%0.12833%0.329CS..BIsolated β-bridgetrans-106.496176.1-170.813.7000109.2V299 N324 R328 R360V299-D326 WeakPolarHBondContact CG2-O 3.38Å; N324-D326 PolarHBondContact O-N 3.36Å; D326-R328 VanDerWaalsContact OD1-CG 3.29Å; D326-R328 WeakPolarHBondContact OD1-CG 3.4Å; D326-R328 IonicContact OD1-NE 2.79Å; D326-R328 PolarHBondContact OD1-NE 3.01Å; D326-R328 IonicContact OD2-CZ 3.82Å; D326-R328 IonicContact OD2-NE 3.63Å; D326-R328 PolarHBondContact OD2-NE 3.02Å; D326-R328 IonicContact OD2-NH2 3.57Å; D326-R328 PolarHBondContact OD2-NH2 3.18Å; D326-R360 IonicContact OD1-NE 3.95Å; D326-R360 IonicContact OD2-CZ 3.38Å; D326-R360 IonicContact OD2-NE 2.79Å; D326-R360 IonicContact OD2-NH2 3.9Å
327I64.6Low70.9Confident5 Ų566 Ų663%0.02633%0.329CS..  trans-105.975.3175.3-51.1-174.6000107.6V299 L338 L341 R360 L361 Q364V299-I327 HydrophobicContact CG1-CD1 4.23Å; V299-I327 HydrophobicContact CG1-CG1 4.2Å; V299-I327 HydrophobicContact CG2-CD1 4.37Å; V299-I327 HydrophobicContact CG2-CG1 3.6Å; I327-L338 HydrophobicContact CD1-CD2 3.75Å; I327-L338 HydrophobicContact CG2-CD1 3.85Å; I327-L338 HydrophobicContact CG2-CD2 3.62Å; I327-L338 HydrophobicContact CG2-CG 4.06Å; I327-L341 HydrophobicContact CD1-CD1 4.11Å; I327-R360 CarbonylContact C-O 3.21Å; I327-R360 PolarHBondContact N-O 2.79Å; I327-L361 HydrophobicContact CB-CD2 3.4Å; I327-L361 HydrophobicContact CD1-CD2 3.21Å; I327-L361 HydrophobicContact CG1-CD2 3.21Å; I327-L361 HydrophobicContact CG2-CD2 4.48Å; I327-Q364 HydrophobicContact CG2-CB 4.25Å; I327-Q364 HydrophobicContact CG2-CG 3.81Å
328R61.8Low70Confident117 Ų11766.9 Ų66.944%0.44233%0.333SS..  trans-86.9135170.1-81.3-177.1-73.8165.81.9110.2D326 D330 N331D326-R328 VanDerWaalsContact OD1-CG 3.29Å; D326-R328 WeakPolarHBondContact OD1-CG 3.4Å; D326-R328 IonicContact OD1-NE 2.79Å; D326-R328 PolarHBondContact OD1-NE 3.01Å; D326-R328 IonicContact OD2-CZ 3.82Å; D326-R328 IonicContact OD2-NE 3.63Å; D326-R328 PolarHBondContact OD2-NE 3.02Å; D326-R328 IonicContact OD2-NH2 3.57Å; D326-R328 PolarHBondContact OD2-NH2 3.18Å; R328-D330 PolarHBondContact O-N 2.89Å; R328-N331 PolarHBondContact O-N 3.01Å
329R52.4Low69.3Low170 Ų17075.1 Ų75.164%0.64236%0.364SS*.THydrogen-bonded Turntrans-57.8-25.1177.5-79.7-177.9176.9-169.22.6113.4N331 G363R329-N331 VanDerWaalsContact C-N 3.33Å; R329-N331 PolarHBondContact O-N 3.03Å; R329-G363 PolarHBondContact NH2-O 3.45Å
330D48Very low68.8Low135 Ų13576.2 Ų76.272%0.72238%0.376SS*.THydrogen-bonded Turntrans-84.5-3.8-173.4-55.5-32.3000114.1R328 F332R328-D330 PolarHBondContact O-N 2.89Å; D330-F332 PolarHBondContact O-N 3.01Å
331N53.9Low68.6Low63 Ų6376.1 Ų76.134%0.33738%0.375SS..SBendtrans-84.894.5179-711.7000110.2R328 R329 G333 Q334R328-N331 PolarHBondContact O-N 3.01Å; R329-N331 VanDerWaalsContact C-N 3.33Å; R329-N331 PolarHBondContact O-N 3.03Å; N331-G333 PolarHBondContact O-N 2.86Å; N331-Q334 HydrophobicContact CB-CG 3.84Å; N331-Q334 PolarHBondContact ND2-NE2 3.13Å; N331-Q334 PolarHBondContact O-N 2.87Å
332F46.1Very low68.6Low217 Ų21776.4 Ų76.495%0.95238%0.379SS*.THydrogen-bonded Turntrans-47.2125.2170.8-76.9-90.3000111.1D330D330-F332 PolarHBondContact O-N 3.01Å
333G57.9Low68.9Low71 Ų7176.6 Ų76.673%0.73238%0.384SS*.THydrogen-bonded Turntrans101.1-5.9178.800000116.4N331N331-G333 PolarHBondContact O-N 2.86Å
334Q63.2Low69.3Low40 Ų4076.8 Ų76.819%0.18739%0.386CS..Hα-helixtrans-82.7-10.2179-69-161.417.100115.4N331 G336 V337 L338N331-Q334 HydrophobicContact CB-CG 3.84Å; N331-Q334 PolarHBondContact ND2-NE2 3.13Å; N331-Q334 PolarHBondContact O-N 2.87Å; Q334-G336 VanDerWaalsContact C-N 3.29Å; Q334-G336 PolarHBondContact O-N 2.94Å; Q334-V337 PolarHBondContact O-N 2.88Å; Q334-L338 WeakPolarHBondContact O-CB 3.22Å; Q334-L338 PolarHBondContact O-N 3.4Å
335E67.3Low70.1Confident161 Ų16172.8 Ų72.875%0.75236%0.364SS*.Hα-helixtrans-60.9-36.3178.6-69.8-174.917100113.1R339E335-R339 WeakPolarHBondContact O-CB 3.49Å; E335-R339 PolarHBondContact O-N 3.02Å
336G73.4Confident71.1Confident37 Ų3773.9 Ų73.938%0.38137%0.373SS..Hα-helixtrans-63.8-47.7174.100000111.6Q334 L338 R339 D340Q334-G336 VanDerWaalsContact C-N 3.29Å; Q334-G336 PolarHBondContact O-N 2.94Å; G336-L338 VanDerWaalsContact C-N 3.32Å; G336-L338 PolarHBondContact O-N 2.78Å; G336-R339 WeakPolarHBondContact O-CB 3.43Å; G336-R339 PolarHBondContact O-N 3.13Å; G336-R339 VanDerWaalsContact O-N 3.14Å; G336-D340 VanDerWaalsContact O-CG 3.24Å; G336-D340 PolarHBondContact O-N 3Å
337V75.7Confident72.1Confident39 Ų3976.1 Ų76.124%0.23639%0.385CS..Hα-helixtrans-65.2-37.2179.6-168.60000111.4V299 A303 Q334 D340 L341V299-V337 HydrophobicContact CB-CG1 4.23Å; V299-V337 HydrophobicContact CG1-CB 4.33Å; V299-V337 HydrophobicContact CG1-CG1 3.54Å; A303-V337 HydrophobicContact CB-CG1 4.09Å; Q334-V337 PolarHBondContact O-N 2.88Å; V337-D340 PolarHBondContact O-N 2.8Å; V337-L341 WeakPolarHBondContact O-CB 3.27Å; V337-L341 VanDerWaalsContact O-CG 3.3Å; V337-L341 WeakPolarHBondContact O-CG 3.44Å; V337-L341 PolarHBondContact O-N 3.1Å
338L76.4Confident73.3Confident21 Ų2176.1 Ų76.111%0.1139%0.385CS..Hα-helixtrans-64.8-39.1173.8-82.9177.4000112.7I327 Q334 G336 L341 S342I327-L338 HydrophobicContact CD1-CD2 3.75Å; I327-L338 HydrophobicContact CG2-CD1 3.85Å; I327-L338 HydrophobicContact CG2-CD2 3.62Å; I327-L338 HydrophobicContact CG2-CG 4.06Å; Q334-L338 WeakPolarHBondContact O-CB 3.22Å; Q334-L338 PolarHBondContact O-N 3.4Å; G336-L338 VanDerWaalsContact C-N 3.32Å; G336-L338 PolarHBondContact O-N 2.78Å; L338-L341 HydrophobicContact CD2-CD1 4.22Å; L338-L341 PolarHBondContact O-N 3.33Å; L338-S342 WeakPolarHBondContact O-CB 3.36Å; L338-S342 PolarHBondContact O-N 2.78Å; L338-S342 PolarHBondContact O-OG 2.97Å
339R79.4Confident74.6Confident174 Ų17475.3 Ų75.366%0.65739%0.386SS*.Hα-helixtrans-62.9-47172.9-171.6-175.4-58.4-175.92.4110.5E335 G336 L341 S342 Q343E335-R339 WeakPolarHBondContact O-CB 3.49Å; E335-R339 PolarHBondContact O-N 3.02Å; G336-R339 WeakPolarHBondContact O-CB 3.43Å; G336-R339 PolarHBondContact O-N 3.13Å; G336-R339 VanDerWaalsContact O-N 3.14Å; R339-L341 VanDerWaalsContact C-N 3.3Å; R339-L341 PolarHBondContact O-N 3.38Å; R339-S342 WeakPolarHBondContact CA-OG 3.41Å; R339-S342 PolarHBondContact O-N 3.14Å; R339-S342 PolarHBondContact O-OG 3.29Å; R339-Q343 WeakPolarHBondContact O-CB 3.44Å; R339-Q343 PolarHBondContact O-N 3.4Å
340D81.8Confident76.4Confident96 Ų9670.7 Ų70.751%0.51337%0.372SS..Hα-helixtrans-61.6-39.6178-63.3-20.7000111.6A303 G336 V337 Q343 G344A303-D340 HydrophobicContact CB-CB 4.4Å; G336-D340 VanDerWaalsContact O-CG 3.24Å; G336-D340 PolarHBondContact O-N 3Å; V337-D340 PolarHBondContact O-N 2.8Å; D340-Q343 PolarHBondContact O-N 2.7Å; D340-G344 PolarHBondContact O-N 3.35Å
341L84.1Confident78.6Confident1 Ų164.3 Ų64.31%0.00534%0.338CS..Hα-helixtrans-60.9-51.3172-78.7178000112V299 L302 A303 L306 I327 V337 L338 R339 Q343 G344 L345V299-L341 HydrophobicContact CG1-CD1 3.3Å; V299-L341 HydrophobicContact CG1-CG 4.27Å; L302-L341 HydrophobicContact CB-CD2 3.88Å; L302-L341 HydrophobicContact CD2-CD2 3.74Å; L302-L341 HydrophobicContact CG-CD2 3.59Å; A303-L341 HydrophobicContact CB-CD2 3.85Å; A303-L341 HydrophobicContact CB-CG 4.09Å; L306-L341 HydrophobicContact CD1-CB 4.47Å; L306-L341 HydrophobicContact CD1-CD2 3.58Å; L306-L341 WeakPolarHBondContact CD1-O 3.42Å; I327-L341 HydrophobicContact CD1-CD1 4.11Å; V337-L341 WeakPolarHBondContact O-CB 3.27Å; V337-L341 VanDerWaalsContact O-CG 3.3Å; V337-L341 WeakPolarHBondContact O-CG 3.44Å; V337-L341 PolarHBondContact O-N 3.1Å; L338-L341 HydrophobicContact CD2-CD1 4.22Å; L338-L341 PolarHBondContact O-N 3.33Å; R339-L341 VanDerWaalsContact C-N 3.3Å; R339-L341 PolarHBondContact O-N 3.38Å; L341-Q343 PolarHBondContact O-N 3.49Å; L341-G344 PolarHBondContact O-N 2.96Å; L341-G344 VanDerWaalsContact O-N 3.13Å; L341-L345 WeakPolarHBondContact O-CG 3.43Å; L341-L345 PolarHBondContact O-N 3.16Å
342S85.3Confident80.5Confident28 Ų2866 Ų6620%0.19634%0.339CS..Hα-helixtrans-60.7-37.8178.969.20000111.6L338 R339 L345 S346 S371L338-S342 WeakPolarHBondContact O-CB 3.36Å; L338-S342 PolarHBondContact O-N 2.78Å; L338-S342 PolarHBondContact O-OG 2.97Å; R339-S342 WeakPolarHBondContact CA-OG 3.41Å; R339-S342 PolarHBondContact O-N 3.14Å; R339-S342 PolarHBondContact O-OG 3.29Å; S342-L345 PolarHBondContact O-N 3.41Å; S342-S346 WeakPolarHBondContact O-CB 3.45Å; S342-S346 PolarHBondContact O-N 2.79Å; S342-S346 PolarHBondContact O-OG 3.15Å; S342-S371 WeakPolarHBondContact O-CB 3.31Å; S342-S371 PolarHBondContact O-OG 2.79Å
343Q87.5Confident82.8Confident108 Ų10857.8 Ų57.851%0.50530%0.304SS..Hα-helixtrans-70.3-34.8176.4-173.759.366.100112.1R339 D340 L341 S346 N347R339-Q343 WeakPolarHBondContact O-CB 3.44Å; R339-Q343 PolarHBondContact O-N 3.4Å; D340-Q343 PolarHBondContact O-N 2.7Å; L341-Q343 PolarHBondContact O-N 3.49Å; Q343-S346 PolarHBondContact NE2-OG 3.33Å; Q343-S346 PolarHBondContact O-OG 2.95Å; Q343-N347 VanDerWaalsContact O-CG 3.31Å; Q343-N347 PolarHBondContact O-ND2 2.88Å
344G86.5Confident84.5Confident4 Ų454.7 Ų54.74%0.04127%0.27CS..Hα-helixtrans-67.6-44174.100000112.3D340 L341 N347D340-G344 PolarHBondContact O-N 3.35Å; L341-G344 PolarHBondContact O-N 2.96Å; L341-G344 VanDerWaalsContact O-N 3.13Å; G344-N347 WeakPolarHBondContact O-CB 3.43Å; G344-N347 PolarHBondContact O-N 2.76Å
345L88.1Confident85.8Confident10 Ų1052.8 Ų52.85%0.05226%0.261CS..Hα-helixtrans-66.3-37.8177.6-73.1172.1000112.1L306 L318 L341 S342 N347 L348 L368 S371 L372L306-L345 HydrophobicContact CD1-CD2 4.46Å; L306-L345 HydrophobicContact CD1-CG 4.09Å; L306-L345 HydrophobicContact CD2-CD2 3.8Å; L306-L345 HydrophobicContact CD2-CG 4.26Å; L318-L345 HydrophobicContact CD2-CD2 4.32Å; L341-L345 WeakPolarHBondContact O-CG 3.43Å; L341-L345 PolarHBondContact O-N 3.16Å; S342-L345 PolarHBondContact O-N 3.41Å; L345-N347 PolarHBondContact O-N 3.23Å; L345-L348 HydrophobicContact CD2-CD1 4.12Å; L345-L348 WeakPolarHBondContact O-CB 3.3Å; L345-L348 PolarHBondContact O-N 2.83Å; L345-L368 HydrophobicContact CD1-CB 4.17Å; L345-L368 HydrophobicContact CD1-CD2 3.8Å; L345-S371 VanDerWaalsContact CB-OG 3.29Å; L345-S371 WeakPolarHBondContact CB-OG 3.36Å; L345-L372 HydrophobicContact CB-CD2 4.1Å; L345-L372 HydrophobicContact CD2-CD2 4.31Å
346S90.4Very high86.8Confident30 Ų3045.5 Ų45.521%0.2123%0.228CC..Hα-helixtrans-65.1-18.5177.270.10000114S342 Q343 L348 Q349 S371S342-S346 WeakPolarHBondContact O-CB 3.45Å; S342-S346 PolarHBondContact O-N 2.79Å; S342-S346 PolarHBondContact O-OG 3.15Å; Q343-S346 PolarHBondContact NE2-OG 3.33Å; Q343-S346 PolarHBondContact O-OG 2.95Å; S346-L348 VanDerWaalsContact C-N 3.34Å; S346-Q349 PolarHBondContact O-NE2 3.2Å; S346-S371 WeakPolarHBondContact CA-O 3.46Å; S346-S371 WeakPolarHBondContact CB-O 3.35Å
347N90.4Very high87.2Confident71 Ų7144.1 Ų44.138%0.3821%0.212SC..THydrogen-bonded Turntrans-82-11174.3-64.9-36.5000113.3Q343 G344 L345 Q349Q343-N347 VanDerWaalsContact O-CG 3.31Å; Q343-N347 PolarHBondContact O-ND2 2.88Å; G344-N347 WeakPolarHBondContact O-CB 3.43Å; G344-N347 PolarHBondContact O-N 2.76Å; L345-N347 PolarHBondContact O-N 3.23Å; N347-Q349 PolarHBondContact O-N 3.23Å; N347-Q349 VanDerWaalsContact O-N 3.14Å
348L90.4Very high86.7Confident5 Ų543.9 Ų43.93%0.02621%0.214CC..  trans-8582.9179-57.1-177.6000110.2L306 L309 L315 L318 L345 S346 E350 L351L306-L348 HydrophobicContact CD2-CD1 4.02Å; L309-L348 HydrophobicContact CB-CD2 4.09Å; L315-L348 HydrophobicContact CD2-CD2 4.14Å; L318-L348 HydrophobicContact CD2-CD1 4.22Å; L345-L348 HydrophobicContact CD2-CD1 4.12Å; L345-L348 WeakPolarHBondContact O-CB 3.3Å; L345-L348 PolarHBondContact O-N 2.83Å; S346-L348 VanDerWaalsContact C-N 3.34Å; L348-E350 PolarHBondContact O-N 2.97Å; L348-L351 HydrophobicContact CB-CB 4.12Å; L348-L351 HydrophobicContact CD1-CD2 4.27Å
349Q87.7Confident86.3Confident100 Ų10043 Ų4347%0.46721%0.21SC..THydrogen-bonded Turntrans-68.4-34-169.4-60.4-56.6-41.700114.4S346 N347 Q374S346-Q349 PolarHBondContact O-NE2 3.2Å; N347-Q349 PolarHBondContact O-N 3.23Å; N347-Q349 VanDerWaalsContact O-N 3.14Å; Q349-Q374 WeakPolarHBondContact O-CG 3.5Å; Q349-Q374 PolarHBondContact O-NE2 3.31Å
350E90.8Very high85.7Confident73 Ų7340.6 Ų40.634%0.34120%0.2SC..THydrogen-bonded Turntrans-102.913.6-174.1-65.2-60.3136.200113.5P313 L315 N316 L348 R352 Q374P313-E350 WeakPolarHBondContact O-CG 3.49Å; L315-E350 CarbonylContact O-C 3.34Å; N316-E350 VanDerWaalsContact CA-O 3.28Å; N316-E350 WeakPolarHBondContact CA-O 3.4Å; N316-E350 WeakPolarHBondContact CB-O 3.26Å; L348-E350 PolarHBondContact O-N 2.97Å; E350-R352 PolarHBondContact O-N 3.03Å; E350-Q374 PolarHBondContact OE1-NE2 3.03Å
351L93.5Very high84.9Confident2 Ų236.2 Ų36.21%0.0118%0.177CC..  trans-69.7118.6-176.4-16576.7000111.3L318 L348 L354 L372 L376L318-L351 HydrophobicContact CB-CD1 3.7Å; L318-L351 HydrophobicContact CB-CD2 4.44Å; L348-L351 HydrophobicContact CB-CB 4.12Å; L348-L351 HydrophobicContact CD1-CD2 4.27Å; L351-L354 HydrophobicContact CD2-CD1 4.49Å; L351-L372 HydrophobicContact CD2-CD1 4.35Å; L351-L372 HydrophobicContact CD2-CD2 3.67Å; L351-L376 HydrophobicContact CG-CD2 4.49Å
352R93.7Very high84Confident99 Ų9938.9 Ų38.937%0.37419%0.194SC..  trans-119-25.6-179.7-67.1173.4-177-145.28.6113N316 E350 L376 E377 V378N316-R352 PolarHBondContact O-N 3.28Å; E350-R352 PolarHBondContact O-N 3.03Å; R352-L376 CarbonylContact O-C 3.57Å; R352-L376 WeakPolarHBondContact O-CA 3.32Å; R352-E377 HydrophobicContact CB-CB 4.41Å; R352-E377 HydrophobicContact CB-CG 4.3Å; R352-E377 WeakPolarHBondContact CD-OE1 3.33Å; R352-E377 IonicContact CZ-OE1 3.79Å; R352-E377 IonicContact NE-OE1 3.33Å; R352-E377 IonicContact NH1-OE1 2.74Å; R352-E377 PolarHBondContact NH1-OE1 2.95Å; R352-E377 PolarHBondContact O-N 3.44Å; R352-V378 PolarHBondContact O-N 3.28Å
353Q94.8Very high83.1Confident43 Ų4338 Ų3820%0.20119%0.19CC..EExtended strand (participates in β ladder)trans-116.7124178.5170.9170.811.600110.3N316 S317 L318 V378N316-Q353 PolarHBondContact O-N 3.03Å; S317-Q353 WeakPolarHBondContact CA-O 3.39Å; S317-Q353 PolarHBondContact OG-OE1 2.99Å; L318-Q353 PolarHBondContact N-O 3.22Å; Q353-V378 WeakPolarHBondContact CA-O 3.49Å; Q353-V378 HydrophobicContact CB-CB 3.99Å; Q353-V378 HydrophobicContact CG-CB 3.92Å; Q353-V378 HydrophobicContact CG-CG1 3.97Å
354L93.6Very high82.6Confident6 Ų633.9 Ų33.93%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-129.6119.8173.4-177.364.2000109.7L318 L351 L356 L369 L372 L376 V378 L379 E380L318-L354 HydrophobicContact CB-CD1 4.23Å; L318-L354 HydrophobicContact CD2-CD1 4.17Å; L318-L354 HydrophobicContact CG-CD1 4.2Å; L318-L354 WeakPolarHBondContact O-CA 3.44Å; L351-L354 HydrophobicContact CD2-CD1 4.49Å; L354-L356 HydrophobicContact CD1-CD2 3.96Å; L354-L356 HydrophobicContact CD1-CG 4.11Å; L354-L356 HydrophobicContact CD2-CD1 4.15Å; L354-L356 HydrophobicContact CD2-CG 4.44Å; L354-L356 HydrophobicContact CG-CD1 4.32Å; L354-L356 HydrophobicContact CG-CD2 4.46Å; L354-L356 HydrophobicContact CG-CG 4.05Å; L354-L369 HydrophobicContact CD2-CD2 3.58Å; L354-L372 HydrophobicContact CD2-CD1 4.16Å; L354-L376 HydrophobicContact CB-CD1 3.96Å; L354-L376 HydrophobicContact CB-CD2 4.18Å; L354-L376 HydrophobicContact CD2-CD1 4.24Å; L354-V378 PolarHBondContact N-O 2.91Å; L354-L379 HydrophobicContact CB-CD1 4.39Å; L354-L379 HydrophobicContact CD2-CD1 4.42Å; L354-L379 WeakPolarHBondContact O-CA 3.45Å; L354-E380 PolarHBondContact O-N 2.93Å
355S91Very high82.4Confident0 Ų033.8 Ų33.80%017%0.169CC..EExtended strand (participates in β ladder)trans-121.3121.9174.2-1700000109.7L318 R319 L320 H321 E380L318-S355 PolarHBondContact O-N 2.95Å; R319-S355 CarbonylContact C-O 3.08Å; R319-S355 WeakPolarHBondContact CA-O 3.48Å; L320-S355 PolarHBondContact N-O 3.31Å; H321-S355 PolarHBondContact CE1-OG 3.23Å; S355-E380 CarbonylContact C-O 3.56Å; S355-E380 WeakPolarHBondContact CA-O 3.14Å; S355-E380 VanDerWaalsContact CB-OE2 3.26Å; S355-E380 WeakPolarHBondContact CB-OE2 3.38Å; S355-E380 WeakPolarHBondContact OG-CB 3.26Å; S355-E380 PolarHBondContact OG-OE2 2.76Å
356L88.1Confident82.3Confident9 Ų941.1 Ų41.15%0.04720%0.196CC..EExtended strand (participates in β ladder)trans-129.8117.2-179.1-60.1179000108.3L320 L354 L359 E380 L381 L384L320-L356 HydrophobicContact CB-CD2 3.97Å; L320-L356 HydrophobicContact CD1-CD2 3.85Å; L320-L356 HydrophobicContact CG-CD2 4.21Å; L354-L356 HydrophobicContact CD1-CD2 3.96Å; L354-L356 HydrophobicContact CD1-CG 4.11Å; L354-L356 HydrophobicContact CD2-CD1 4.15Å; L354-L356 HydrophobicContact CD2-CG 4.44Å; L354-L356 HydrophobicContact CG-CD1 4.32Å; L354-L356 HydrophobicContact CG-CD2 4.46Å; L354-L356 HydrophobicContact CG-CG 4.05Å; L356-L359 HydrophobicContact CB-CD1 3.79Å; L356-L359 HydrophobicContact CD1-CD1 4.38Å; L356-L359 HydrophobicContact CD2-CD1 4Å; L356-L359 HydrophobicContact CG-CD1 4.27Å; L356-E380 PolarHBondContact N-O 3.05Å; L356-L381 HydrophobicContact CB-CD2 4.03Å; L356-L381 HydrophobicContact CD1-CD2 4.14Å; L356-L381 HydrophobicContact CG-CD2 4.37Å; L356-L381 WeakPolarHBondContact O-CA 3.49Å; L356-L384 HydrophobicContact CB-CD1 4.21Å
357T82Confident81.9Confident8 Ų842.1 Ų42.15%0.04920%0.201CC..EExtended strand (participates in β ladder)trans-126.4141.4-177.5780000112.9L320 H321 Y322 L359 P382L320-T357 PolarHBondContact O-N 2.85Å; H321-T357 VanDerWaalsContact CA-OG1 3.22Å; H321-T357 WeakPolarHBondContact CA-OG1 3.41Å; H321-T357 WeakPolarHBondContact CB-OG1 3.11Å; H321-T357 WeakPolarHBondContact ND1-CG2 3.27Å; H321-T357 PolarHBondContact ND1-OG1 2.81Å; Y322-T357 PolarHBondContact N-O 2.99Å; T357-L359 VanDerWaalsContact C-N 3.27Å; T357-L359 WeakPolarHBondContact O-CD2 3.35Å; T357-L359 PolarHBondContact O-N 2.98Å; T357-P382 WeakPolarHBondContact CA-O 3.47Å; T357-P382 HydrophobicContact CG2-CG 3.38Å
358A64.6Low81.5Confident34 Ų3439.3 Ų39.328%0.28119%0.185SC..SBendtrans53.640.9175.900000113.7Y322 P382 Y383Y322-A358 HydrophobicContact CD1-CB 3.48Å; Y322-A358 VanDerWaalsContact CD1-CB 3.48Å; Y322-A358 HydrophobicContact CE1-CB 3.51Å; Y322-A358 HydrophobicContact CG-CB 4.32Å; A358-P382 PolarHBondContact N-O 3.07Å; A358-Y383 WeakPolarHBondContact CA-O 3.22Å
359L68.5Low81.4Confident3 Ų339 Ų392%0.01618%0.184CC..  trans-100142.9174.2-46-179.9000109.8L325 L356 T357 L361 L384L325-L359 HydrophobicContact CB-CB 4.37Å; L325-L359 HydrophobicContact CB-CD1 4.27Å; L325-L359 HydrophobicContact CB-CD2 3.75Å; L325-L359 HydrophobicContact CB-CG 4.34Å; L325-L359 HydrophobicContact CD1-CD1 3.64Å; L325-L359 HydrophobicContact CD1-CD2 3.8Å; L325-L359 HydrophobicContact CD1-CG 4.34Å; L325-L359 HydrophobicContact CG-CD1 4.37Å; L325-L359 HydrophobicContact CG-CD2 3.76Å; L356-L359 HydrophobicContact CB-CD1 3.79Å; L356-L359 HydrophobicContact CD1-CD1 4.38Å; L356-L359 HydrophobicContact CD2-CD1 4Å; L356-L359 HydrophobicContact CG-CD1 4.27Å; T357-L359 VanDerWaalsContact C-N 3.27Å; T357-L359 WeakPolarHBondContact O-CD2 3.35Å; T357-L359 PolarHBondContact O-N 2.98Å; L359-L361 HydrophobicContact CB-CD1 3.8Å; L359-L361 HydrophobicContact CB-CD2 4.45Å; L359-L361 HydrophobicContact CB-CG 3.66Å; L359-L361 HydrophobicContact CD1-CD1 3.63Å; L359-L361 HydrophobicContact CD1-CG 4.34Å; L359-L361 HydrophobicContact CG-CD1 4.38Å; L359-L361 PolarHBondContact O-N 3.01Å; L359-L384 HydrophobicContact CB-CD2 3.57Å; L359-L384 HydrophobicContact CD1-CD2 4.47Å; L359-L384 HydrophobicContact CG-CD2 3.91Å; L359-L384 WeakPolarHBondContact O-CD2 3.48Å
360R66.2Low81.4Confident122 Ų12237.4 Ų37.446%0.4618%0.184SC..BIsolated β-bridgetrans-91.386.2174.2-68.7178.6-71.1-164.1-4.4108N324 L325 D326 I327N324-R360 PolarHBondContact OD1-NH2 2.92Å; N324-R360 VanDerWaalsContact OD1-NH2 3.16Å; L325-R360 PolarHBondContact O-N 3.22Å; D326-R360 IonicContact OD1-NE 3.95Å; D326-R360 IonicContact OD2-CZ 3.38Å; D326-R360 IonicContact OD2-NE 2.79Å; D326-R360 IonicContact OD2-NH2 3.9Å; I327-R360 CarbonylContact C-O 3.21Å; I327-R360 PolarHBondContact N-O 2.79Å
361L66.1Low81.3Confident4 Ų434.9 Ų34.92%0.02117%0.174CC..  trans-121.140.4-175.6-60.2-179.8000114.6I327 L359 G363 Q364 L368I327-L361 HydrophobicContact CB-CD2 3.4Å; I327-L361 HydrophobicContact CD1-CD2 3.21Å; I327-L361 HydrophobicContact CG1-CD2 3.21Å; I327-L361 HydrophobicContact CG2-CD2 4.48Å; L359-L361 HydrophobicContact CB-CD1 3.8Å; L359-L361 HydrophobicContact CB-CD2 4.45Å; L359-L361 HydrophobicContact CB-CG 3.66Å; L359-L361 HydrophobicContact CD1-CD1 3.63Å; L359-L361 HydrophobicContact CD1-CG 4.34Å; L359-L361 HydrophobicContact CG-CD1 4.38Å; L359-L361 PolarHBondContact O-N 3.01Å; L361-G363 PolarHBondContact O-N 3.24Å; L361-G363 VanDerWaalsContact O-N 3.09Å; L361-Q364 PolarHBondContact O-N 3.05Å; L361-L368 HydrophobicContact CD1-CD1 3.72Å
362P64.8Low81.2Confident57 Ų5735 Ų3537%0.3718%0.175SC..THydrogen-bonded Turntrans-62.9120-173.827.7-34.4000111.3Q364P362-Q364 VanDerWaalsContact C-N 3.34Å; P362-Q364 PolarHBondContact O-N 2.95Å
363G66.5Low80.9Confident10 Ų1033.2 Ų33.210%0.10318%0.176CC..THydrogen-bonded Turntrans76.314.7174.700000115.1R329 L361 D390R329-G363 PolarHBondContact NH2-O 3.45Å; L361-G363 PolarHBondContact O-N 3.24Å; L361-G363 VanDerWaalsContact O-N 3.09Å; G363-D390 VanDerWaalsContact C-OD1 3.25Å; G363-D390 WeakPolarHBondContact CA-OD1 3.31Å; G363-D390 VanDerWaalsContact CA-OD2 3.31Å; G363-D390 WeakPolarHBondContact CA-OD2 3.39Å; G363-D390 PolarHBondContact N-OD1 2.95Å; G363-D390 PolarHBondContact N-OD2 2.95Å
364Q76.9Confident80.6Confident22 Ų2234 Ų3410%0.10318%0.18CC..THydrogen-bonded Turntrans-116.1-3-177.8-64.2-64.3-9.900113.6I327 L361 P362 R366 V367 L368 D390I327-Q364 HydrophobicContact CG2-CB 4.25Å; I327-Q364 HydrophobicContact CG2-CG 3.81Å; L361-Q364 PolarHBondContact O-N 3.05Å; P362-Q364 VanDerWaalsContact C-N 3.34Å; P362-Q364 PolarHBondContact O-N 2.95Å; Q364-R366 PolarHBondContact O-N 2.84Å; Q364-V367 PolarHBondContact O-N 3.11Å; Q364-L368 PolarHBondContact O-N 3.45Å; Q364-D390 PolarHBondContact N-OD1 2.95Å
365L82.1Confident80.5Confident1 Ų136 Ų361%0.00519%0.194CC..Hα-helixtrans-60.7-34.5-179-172.166.2000111.4V367 L368 L369 L381 L386 D390 L394L365-V367 VanDerWaalsContact C-N 3.34Å; L365-V367 PolarHBondContact O-N 3.08Å; L365-L368 PolarHBondContact O-N 3.17Å; L365-L369 HydrophobicContact CD1-CD1 3.8Å; L365-L369 HydrophobicContact CD1-CD2 4.48Å; L365-L369 HydrophobicContact CD1-CG 3.85Å; L365-L369 HydrophobicContact CD2-CD1 3.97Å; L365-L369 HydrophobicContact CG-CD1 3.62Å; L365-L369 HydrophobicContact CG-CG 3.99Å; L365-L369 WeakPolarHBondContact O-CB 3.25Å; L365-L369 WeakPolarHBondContact O-CG 3.41Å; L365-L369 PolarHBondContact O-N 2.78Å; L365-L381 HydrophobicContact CD1-CD1 4.16Å; L365-L381 HydrophobicContact CD1-CD2 4.14Å; L365-L381 HydrophobicContact CD2-CD1 3.71Å; L365-L386 HydrophobicContact CD2-CD2 3.91Å; L365-D390 HydrophobicContact CB-CB 4.01Å; L365-D390 WeakPolarHBondContact CB-OD1 3.31Å; L365-D390 HydrophobicContact CD2-CB 4.23Å; L365-D390 PolarHBondContact N-OD1 2.93Å; L365-L394 HydrophobicContact CD2-CD1 3.52Å; L365-L394 HydrophobicContact CD2-CD2 3.9Å; L365-L394 HydrophobicContact CD2-CG 3.65Å
366R85.3Confident80.7Confident165 Ų16536 Ų3662%0.62319%0.194SC*.Hα-helixtrans-54-47.4173.1176.2170-174-161.21.8112.3Q364 L368 S370 Y393Q364-R366 PolarHBondContact O-N 2.84Å; R366-L368 VanDerWaalsContact C-N 3.35Å; R366-L368 PolarHBondContact O-N 3.18Å; R366-S370 WeakPolarHBondContact O-CB 3.48Å; R366-S370 PolarHBondContact O-N 3.27Å; R366-S370 PolarHBondContact O-OG 3.03Å; R366-Y393 HydrophobicContact CB-CD1 4.04Å; R366-Y393 HydrophobicContact CB-CD2 3.9Å; R366-Y393 HydrophobicContact CB-CE1 4.43Å; R366-Y393 HydrophobicContact CB-CE2 4.27Å; R366-Y393 HydrophobicContact CB-CG 3.76Å; R366-Y393 HydrophobicContact CG-CD1 4.48Å; R366-Y393 HydrophobicContact CG-CD2 3.51Å; R366-Y393 HydrophobicContact CG-CE2 3.66Å; R366-Y393 HydrophobicContact CG-CG 3.95Å
367V82.2Confident81.1Confident50 Ų5038.7 Ų38.730%0.30321%0.207SC..Hα-helixtrans-64.7-42.7-176.8178.60000110.6Q364 L365 S370Q364-V367 PolarHBondContact O-N 3.11Å; L365-V367 VanDerWaalsContact C-N 3.34Å; L365-V367 PolarHBondContact O-N 3.08Å; V367-S370 PolarHBondContact O-OG 2.9Å
368L83.7Confident81.7Confident12 Ų1239.5 Ų39.56%0.06321%0.211CC..Hα-helixtrans-68.2-53-179.5-60.9175.6000111.8L345 L361 Q364 L365 R366 S371L345-L368 HydrophobicContact CD1-CB 4.17Å; L345-L368 HydrophobicContact CD1-CD2 3.8Å; L361-L368 HydrophobicContact CD1-CD1 3.72Å; Q364-L368 PolarHBondContact O-N 3.45Å; L365-L368 PolarHBondContact O-N 3.17Å; R366-L368 VanDerWaalsContact C-N 3.35Å; R366-L368 PolarHBondContact O-N 3.18Å; L368-S371 PolarHBondContact O-N 3.22Å; L368-S371 PolarHBondContact O-OG 2.93Å
369L87.8Confident83.1Confident0 Ų037.9 Ų37.90%020%0.198CC..Hα-helixtrans-73-37.6-174.8-65.8-174.4000112.7L354 L365 S371 L372 L376 L379 Y393 L394 H399L354-L369 HydrophobicContact CD2-CD2 3.58Å; L365-L369 HydrophobicContact CD1-CD1 3.8Å; L365-L369 HydrophobicContact CD1-CD2 4.48Å; L365-L369 HydrophobicContact CD1-CG 3.85Å; L365-L369 HydrophobicContact CD2-CD1 3.97Å; L365-L369 HydrophobicContact CG-CD1 3.62Å; L365-L369 HydrophobicContact CG-CG 3.99Å; L365-L369 WeakPolarHBondContact O-CB 3.25Å; L365-L369 WeakPolarHBondContact O-CG 3.41Å; L365-L369 PolarHBondContact O-N 2.78Å; L369-S371 PolarHBondContact O-N 2.81Å; L369-S371 VanDerWaalsContact O-N 3.13Å; L369-L372 HydrophobicContact CD2-CD1 4.1Å; L369-L372 PolarHBondContact O-N 2.62Å; L369-L372 VanDerWaalsContact O-N 3.12Å; L369-L376 HydrophobicContact CD2-CD1 4.03Å; L369-L379 HydrophobicContact CD1-CD2 4.33Å; L369-L379 HydrophobicContact CD2-CD1 4.31Å; L369-Y393 HydrophobicContact CB-CE1 3.86Å; L369-Y393 HydrophobicContact CD1-CE1 4.33Å; L369-L394 HydrophobicContact CD1-CD2 3.39Å; L369-H399 PolarHBondContact O-CE1 2.55Å; L369-H399 PolarHBondContact O-NE2 2.95Å; L369-H399 VanDerWaalsContact O-NE2 3.09Å
370S88.4Confident84.3Confident65 Ų6539.4 Ų39.446%0.45521%0.205SC..Hα-helixtrans-63.6-20.5179.365.90000113.8R366 V367 Y393R366-S370 WeakPolarHBondContact O-CB 3.48Å; R366-S370 PolarHBondContact O-N 3.27Å; R366-S370 PolarHBondContact O-OG 3.03Å; V367-S370 PolarHBondContact O-OG 2.9Å; S370-Y393 VanDerWaalsContact CA-OH 3.22Å; S370-Y393 WeakPolarHBondContact CA-OH 3.37Å; S370-Y393 WeakPolarHBondContact CB-OH 3.21Å; S370-Y393 PolarHBondContact N-OH 3.35Å
371S88Confident85.5Confident20 Ų2033.6 Ų33.614%0.1418%0.183CC..THydrogen-bonded Turntrans-79.8-17.1178.771.80000113.8S342 L345 S346 L368 L369S342-S371 WeakPolarHBondContact O-CB 3.31Å; S342-S371 PolarHBondContact O-OG 2.79Å; L345-S371 VanDerWaalsContact CB-OG 3.29Å; L345-S371 WeakPolarHBondContact CB-OG 3.36Å; S346-S371 WeakPolarHBondContact CA-O 3.46Å; S346-S371 WeakPolarHBondContact CB-O 3.35Å; L368-S371 PolarHBondContact O-N 3.22Å; L368-S371 PolarHBondContact O-OG 2.93Å; L369-S371 PolarHBondContact O-N 2.81Å; L369-S371 VanDerWaalsContact O-N 3.13Å
372L90.2Very high86.7Confident6 Ų634.2 Ų34.23%0.03119%0.187CC..  trans-75131.2-178.5-67171.2000110.7L345 L351 L354 L369 L376L345-L372 HydrophobicContact CB-CD2 4.1Å; L345-L372 HydrophobicContact CD2-CD2 4.31Å; L351-L372 HydrophobicContact CD2-CD1 4.35Å; L351-L372 HydrophobicContact CD2-CD2 3.67Å; L354-L372 HydrophobicContact CD2-CD1 4.16Å; L369-L372 HydrophobicContact CD2-CD1 4.1Å; L369-L372 PolarHBondContact O-N 2.62Å; L369-L372 VanDerWaalsContact O-N 3.12Å; L372-L376 HydrophobicContact CD1-CD1 3.93Å; L372-L376 HydrophobicContact CD1-CD2 4.17Å; L372-L376 HydrophobicContact CD1-CG 4.24Å
373P87.6Confident87.6Confident61 Ų6136.6 Ų36.640%0.39619%0.19SC..SBendtrans-77.5-33-175.329.2-33.8000113
374Q89.6Confident88.4Confident60 Ų6036.2 Ų36.228%0.2819%0.185SC..SBendtrans-102.5151.2179.5-73.2-168.514.600111.9Q349 E350Q349-Q374 WeakPolarHBondContact O-CG 3.5Å; Q349-Q374 PolarHBondContact O-NE2 3.31Å; E350-Q374 PolarHBondContact OE1-NE2 3.03Å
375S91.8Very high88.7Confident48 Ų4839.6 Ų39.634%0.33621%0.212SC..PPolyproline II helixtrans-73.7131.8175.463.30000110.2S402S375-S402 WeakPolarHBondContact CB-OG 3.47Å; S375-S402 WeakPolarHBondContact OG-CB 3.41Å; S375-S402 PolarHBondContact OG-OG 2.95Å
376L94.9Very high89Confident0 Ų040.3 Ų40.30%022%0.215CC..PPolyproline II helixtrans-75.9145.7-176.4-65.4171.1000111.1L351 R352 L354 L369 L372 L379 H399 S402 L403L351-L376 HydrophobicContact CG-CD2 4.49Å; R352-L376 CarbonylContact O-C 3.57Å; R352-L376 WeakPolarHBondContact O-CA 3.32Å; L354-L376 HydrophobicContact CB-CD1 3.96Å; L354-L376 HydrophobicContact CB-CD2 4.18Å; L354-L376 HydrophobicContact CD2-CD1 4.24Å; L369-L376 HydrophobicContact CD2-CD1 4.03Å; L372-L376 HydrophobicContact CD1-CD1 3.93Å; L372-L376 HydrophobicContact CD1-CD2 4.17Å; L372-L376 HydrophobicContact CD1-CG 4.24Å; L376-L379 HydrophobicContact CD1-CD1 4Å; L376-H399 HydrophobicContact CB-CB 4.42Å; L376-S402 CarbonylContact O-C 3.6Å; L376-S402 PolarHBondContact O-OG 3.32Å; L376-L403 HydrophobicContact CB-CD2 4.15Å; L376-L403 WeakPolarHBondContact O-CD2 3.4Å
377E95.3Very high89.1Confident65 Ų6533.8 Ų33.830%0.30420%0.195SC..SBendtrans-97.1-35171.7-65.9176.3-167.100110.8R352 L404 Q405R352-E377 HydrophobicContact CB-CB 4.41Å; R352-E377 HydrophobicContact CB-CG 4.3Å; R352-E377 WeakPolarHBondContact CD-OE1 3.33Å; R352-E377 IonicContact CZ-OE1 3.79Å; R352-E377 IonicContact NE-OE1 3.33Å; R352-E377 IonicContact NH1-OE1 2.74Å; R352-E377 PolarHBondContact NH1-OE1 2.95Å; R352-E377 PolarHBondContact O-N 3.44Å; E377-L404 HydrophobicContact CB-CD1 4.25Å; E377-L404 HydrophobicContact CB-CG 4.27Å; E377-L404 WeakPolarHBondContact O-CA 3.29Å; E377-L404 PolarHBondContact O-N 3.31Å; E377-Q405 PolarHBondContact O-N 2.97Å
378V95.2Very high89.4Confident24 Ų2434.5 Ų34.515%0.14520%0.2CC..EExtended strand (participates in β ladder)trans-126.8120.4180179.90000109.3R352 Q353 L354 E380 Q405R352-V378 PolarHBondContact O-N 3.28Å; Q353-V378 WeakPolarHBondContact CA-O 3.49Å; Q353-V378 HydrophobicContact CB-CB 3.99Å; Q353-V378 HydrophobicContact CG-CB 3.92Å; Q353-V378 HydrophobicContact CG-CG1 3.97Å; L354-V378 PolarHBondContact N-O 2.91Å; V378-E380 HydrophobicContact CG1-CG 4.23Å; V378-Q405 HydrophobicContact CB-CB 4.41Å; V378-Q405 HydrophobicContact CG1-CB 4.07Å; V378-Q405 HydrophobicContact CG1-CG 4.11Å; V378-Q405 HydrophobicContact CG2-CB 4.16Å
379L95.2Very high89.7Confident1 Ų136.9 Ų36.91%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-128.7114.6177.2-179.361.6000110.3L354 L369 L376 L381 L394 L403 Q405 L406 D407L354-L379 HydrophobicContact CB-CD1 4.39Å; L354-L379 HydrophobicContact CD2-CD1 4.42Å; L354-L379 WeakPolarHBondContact O-CA 3.45Å; L369-L379 HydrophobicContact CD1-CD2 4.33Å; L369-L379 HydrophobicContact CD2-CD1 4.31Å; L376-L379 HydrophobicContact CD1-CD1 4Å; L379-L381 HydrophobicContact CD1-CD1 4.02Å; L379-L381 HydrophobicContact CD1-CD2 3.85Å; L379-L381 HydrophobicContact CD1-CG 3.84Å; L379-L381 HydrophobicContact CD2-CD1 3.97Å; L379-L381 HydrophobicContact CG-CD1 3.93Å; L379-L381 HydrophobicContact CG-CD2 4.5Å; L379-L381 HydrophobicContact CG-CG 3.94Å; L379-L394 HydrophobicContact CD2-CD2 3.86Å; L379-L403 HydrophobicContact CB-CD2 3.58Å; L379-L403 HydrophobicContact CD2-CD1 4.42Å; L379-Q405 PolarHBondContact N-O 3.28Å; L379-L406 HydrophobicContact CB-CD1 4.24Å; L379-L406 HydrophobicContact CD2-CD1 4.14Å; L379-L406 HydrophobicContact CG-CD1 4.22Å; L379-L406 WeakPolarHBondContact O-CA 3.45Å; L379-D407 PolarHBondContact O-N 2.81Å
380E93.3Very high89.8Confident34 Ų3437 Ų3716%0.15922%0.223CC..EExtended strand (participates in β ladder)trans-120.2118.7178.9-62.4173.9168.500109.8L354 S355 L356 V378 Q405 D407L354-E380 PolarHBondContact O-N 2.93Å; S355-E380 CarbonylContact C-O 3.56Å; S355-E380 WeakPolarHBondContact CA-O 3.14Å; S355-E380 VanDerWaalsContact CB-OE2 3.26Å; S355-E380 WeakPolarHBondContact CB-OE2 3.38Å; S355-E380 WeakPolarHBondContact OG-CB 3.26Å; S355-E380 PolarHBondContact OG-OE2 2.76Å; L356-E380 PolarHBondContact N-O 3.05Å; V378-E380 HydrophobicContact CG1-CG 4.23Å; E380-Q405 PolarHBondContact OE1-NE2 2.94Å; E380-D407 HydrophobicContact CB-CB 4.03Å; E380-D407 HydrophobicContact CG-CB 3.91Å
381L91.8Very high89.9Confident0 Ų034.1 Ų34.10%020%0.202CC..  trans-129.643.5-174.5-60.9177.7000113.1L356 L365 L379 L384 L386 L394 D407 L408 N411L356-L381 HydrophobicContact CB-CD2 4.03Å; L356-L381 HydrophobicContact CD1-CD2 4.14Å; L356-L381 HydrophobicContact CG-CD2 4.37Å; L356-L381 WeakPolarHBondContact O-CA 3.49Å; L365-L381 HydrophobicContact CD1-CD1 4.16Å; L365-L381 HydrophobicContact CD1-CD2 4.14Å; L365-L381 HydrophobicContact CD2-CD1 3.71Å; L379-L381 HydrophobicContact CD1-CD1 4.02Å; L379-L381 HydrophobicContact CD1-CD2 3.85Å; L379-L381 HydrophobicContact CD1-CG 3.84Å; L379-L381 HydrophobicContact CD2-CD1 3.97Å; L379-L381 HydrophobicContact CG-CD1 3.93Å; L379-L381 HydrophobicContact CG-CD2 4.5Å; L379-L381 HydrophobicContact CG-CG 3.94Å; L381-L384 HydrophobicContact CB-CD1 3.69Å; L381-L384 HydrophobicContact CB-CG 4.34Å; L381-L384 HydrophobicContact CD2-CD1 3.54Å; L381-L384 HydrophobicContact CG-CD1 4.14Å; L381-L386 HydrophobicContact CD1-CD1 4.46Å; L381-L394 HydrophobicContact CD1-CD1 4.08Å; L381-D407 PolarHBondContact N-O 3.38Å; L381-L408 HydrophobicContact CB-CD2 4.22Å; L381-L408 HydrophobicContact CD1-CD2 4.23Å; L381-N411 PolarHBondContact O-ND2 3.05Å
382P89.3Confident90.1Very high17 Ų1735 Ų3511%0.1121%0.211CC..THydrogen-bonded Turntrans-73.4147.9-178.333.1-38.7000112.9T357 A358 L384 S409T357-P382 WeakPolarHBondContact CA-O 3.47Å; T357-P382 HydrophobicContact CG2-CG 3.38Å; A358-P382 PolarHBondContact N-O 3.07Å; P382-L384 VanDerWaalsContact C-N 3.32Å; P382-L384 PolarHBondContact O-N 3.1Å; P382-S409 WeakPolarHBondContact CA-O 3.23Å
383Y85.1Confident90.2Very high108 Ų10836.5 Ų36.542%0.42422%0.216SC..THydrogen-bonded Turntrans57.834.9178.6-55-83.6000114.7A358 S409 E410A358-Y383 WeakPolarHBondContact CA-O 3.22Å; Y383-S409 PolarHBondContact N-O 3.23Å; Y383-S409 VanDerWaalsContact N-O 3.15Å; Y383-E410 HydrophobicContact CD1-CB 3.34Å; Y383-E410 HydrophobicContact CD1-CG 3.82Å; Y383-E410 HydrophobicContact CD2-CB 4.25Å; Y383-E410 HydrophobicContact CD2-CG 4.46Å; Y383-E410 HydrophobicContact CE1-CB 3.38Å; Y383-E410 HydrophobicContact CE1-CG 3.27Å; Y383-E410 WeakPolarHBondContact CE1-OE2 3.38Å; Y383-E410 HydrophobicContact CE2-CB 4.28Å; Y383-E410 HydrophobicContact CE2-CG 3.99Å; Y383-E410 HydrophobicContact CG-CB 3.8Å; Y383-E410 HydrophobicContact CG-CG 4.38Å
384L82.8Confident90.4Very high1 Ų133.8 Ų33.81%0.00520%0.198CC..  trans-95.4-6.9-178.9-67.5-165.9000114.7L356 L359 L381 P382 L386 N411L356-L384 HydrophobicContact CB-CD1 4.21Å; L359-L384 HydrophobicContact CB-CD2 3.57Å; L359-L384 HydrophobicContact CD1-CD2 4.47Å; L359-L384 HydrophobicContact CG-CD2 3.91Å; L359-L384 WeakPolarHBondContact O-CD2 3.48Å; L381-L384 HydrophobicContact CB-CD1 3.69Å; L381-L384 HydrophobicContact CB-CG 4.34Å; L381-L384 HydrophobicContact CD2-CD1 3.54Å; L381-L384 HydrophobicContact CG-CD1 4.14Å; P382-L384 VanDerWaalsContact C-N 3.32Å; P382-L384 PolarHBondContact O-N 3.1Å; L384-L386 VanDerWaalsContact C-N 3.27Å; L384-L386 HydrophobicContact CB-CD2 3.91Å; L384-L386 HydrophobicContact CB-CG 4.09Å; L384-L386 HydrophobicContact CD1-CD2 4.33Å; L384-L386 PolarHBondContact O-N 3.23Å; L384-N411 PolarHBondContact N-OD1 2.95Å
385S84.3Confident90.5Very high94 Ų9431 Ų3166%0.65719%0.186SC*.  trans50.449.2-172.8-55.90000111.6S387 N411S385-S387 PolarHBondContact O-N 3.41Å; S385-N411 PolarHBondContact N-OD1 3.2Å
386L87Confident90.5Very high16 Ų1632.1 Ų32.18%0.08419%0.193CC..  trans-55.6133.5-175.7-67.2176.5000111.8L365 L381 L384 D390 L391 L394 L408 N411L365-L386 HydrophobicContact CD2-CD2 3.91Å; L381-L386 HydrophobicContact CD1-CD1 4.46Å; L384-L386 VanDerWaalsContact C-N 3.27Å; L384-L386 HydrophobicContact CB-CD2 3.91Å; L384-L386 HydrophobicContact CB-CG 4.09Å; L384-L386 HydrophobicContact CD1-CD2 4.33Å; L384-L386 PolarHBondContact O-N 3.23Å; L386-D390 HydrophobicContact CB-CB 4.45Å; L386-D390 HydrophobicContact CD2-CB 4.15Å; L386-L391 HydrophobicContact CB-CG 4.38Å; L386-L391 HydrophobicContact CD1-CD2 4Å; L386-L394 HydrophobicContact CD1-CD1 4.47Å; L386-L408 HydrophobicContact CD1-CD2 3.83Å; L386-N411 HydrophobicContact CB-CB 4.45Å; L386-N411 HydrophobicContact CD1-CB 4.49Å; L386-N411 WeakPolarHBondContact CG-OD1 3.24Å; L386-N411 PolarHBondContact N-OD1 3.32Å
387S87.8Confident90.4Very high28 Ų2832.7 Ų32.720%0.19620%0.196CC..  trans-80.3160.6175.472.80000111.4S385 A389 D390 L391S385-S387 PolarHBondContact O-N 3.41Å; S387-A389 PolarHBondContact O-N 3.2Å; S387-A389 VanDerWaalsContact O-N 3.15Å; S387-D390 WeakPolarHBondContact CB-OD2 3.41Å; S387-D390 PolarHBondContact N-OD2 2.96Å; S387-D390 WeakPolarHBondContact O-CB 3.31Å; S387-D390 PolarHBondContact O-N 3.18Å; S387-D390 VanDerWaalsContact OG-CG 3.25Å; S387-D390 PolarHBondContact OG-N 2.86Å; S387-D390 PolarHBondContact OG-OD2 2.86Å; S387-L391 PolarHBondContact O-N 3.21Å; S387-L391 VanDerWaalsContact O-N 3.17Å
388P88.9Confident90.2Very high64 Ų6433.9 Ų33.942%0.41620%0.202SC..Hα-helixtrans-56.5-31.2173.1-25.333.9000113.7A392 T417P388-A392 VanDerWaalsContact O-CB 3.25Å; P388-A392 WeakPolarHBondContact O-CB 3.36Å; P388-A392 PolarHBondContact O-N 3.12Å; P388-T417 HydrophobicContact CB-CG2 3.96Å; P388-T417 HydrophobicContact CG-CG2 3.92Å
389A88.8Confident90.1Very high63 Ų6332.8 Ų32.852%0.52120%0.195SC..Hα-helixtrans-68.6-35.5175.100000112.7S387 Y393S387-A389 PolarHBondContact O-N 3.2Å; S387-A389 VanDerWaalsContact O-N 3.15Å; A389-Y393 WeakPolarHBondContact O-CB 3.48Å; A389-Y393 PolarHBondContact O-N 2.79Å
390D89.6Confident89.9Confident3 Ų332.8 Ų32.82%0.01620%0.195CC..Hα-helixtrans-67.7-44.7176.5-62.3-53.8000110.8G363 Q364 L365 L386 S387 Y393 L394G363-D390 VanDerWaalsContact C-OD1 3.25Å; G363-D390 WeakPolarHBondContact CA-OD1 3.31Å; G363-D390 VanDerWaalsContact CA-OD2 3.31Å; G363-D390 WeakPolarHBondContact CA-OD2 3.39Å; G363-D390 PolarHBondContact N-OD1 2.95Å; G363-D390 PolarHBondContact N-OD2 2.95Å; Q364-D390 PolarHBondContact N-OD1 2.95Å; L365-D390 HydrophobicContact CB-CB 4.01Å; L365-D390 WeakPolarHBondContact CB-OD1 3.31Å; L365-D390 HydrophobicContact CD2-CB 4.23Å; L365-D390 PolarHBondContact N-OD1 2.93Å; L386-D390 HydrophobicContact CB-CB 4.45Å; L386-D390 HydrophobicContact CD2-CB 4.15Å; S387-D390 WeakPolarHBondContact CB-OD2 3.41Å; S387-D390 PolarHBondContact N-OD2 2.96Å; S387-D390 WeakPolarHBondContact O-CB 3.31Å; S387-D390 PolarHBondContact O-N 3.18Å; S387-D390 VanDerWaalsContact OG-CG 3.25Å; S387-D390 PolarHBondContact OG-N 2.86Å; S387-D390 PolarHBondContact OG-OD2 2.86Å; D390-Y393 PolarHBondContact O-N 3.38Å; D390-L394 WeakPolarHBondContact O-CG 3.5Å; D390-L394 PolarHBondContact O-N 2.94Å
391L91.3Very high89.7Confident3 Ų334.9 Ų34.92%0.01621%0.214CC..Hα-helixtrans-66.8-38.4176.1-70.4173.2000112.1L386 S387 L394 S395 L408 L413 T417L386-L391 HydrophobicContact CB-CG 4.38Å; L386-L391 HydrophobicContact CD1-CD2 4Å; S387-L391 PolarHBondContact O-N 3.21Å; S387-L391 VanDerWaalsContact O-N 3.17Å; L391-L394 HydrophobicContact CD2-CD1 4.16Å; L391-L394 PolarHBondContact O-N 3.03Å; L391-S395 WeakPolarHBondContact O-CB 3.36Å; L391-S395 PolarHBondContact O-N 2.5Å; L391-S395 PolarHBondContact O-OG 2.9Å; L391-L408 HydrophobicContact CD2-CD1 4.12Å; L391-L413 HydrophobicContact CD1-CD2 3.93Å; L391-T417 HydrophobicContact CD1-CG2 3.57Å
392A91.9Very high89.8Confident39 Ų3936.2 Ų36.232%0.32222%0.223SC..Hα-helixtrans-61-44.6173.400000111.3P388 S395 C396P388-A392 VanDerWaalsContact O-CB 3.25Å; P388-A392 WeakPolarHBondContact O-CB 3.36Å; P388-A392 PolarHBondContact O-N 3.12Å; A392-S395 PolarHBondContact O-N 2.93Å; A392-S395 PolarHBondContact O-OG 3.3Å; A392-C396 PolarHBondContact O-N 2.84Å
393Y92.3Very high90.1Very high38 Ų3835.6 Ų35.615%0.14922%0.219CC..Hα-helixtrans-61-50.4173.6169.6-96.5000111.7R366 L369 S370 A389 D390 S395 C396 S397R366-Y393 HydrophobicContact CB-CD1 4.04Å; R366-Y393 HydrophobicContact CB-CD2 3.9Å; R366-Y393 HydrophobicContact CB-CE1 4.43Å; R366-Y393 HydrophobicContact CB-CE2 4.27Å; R366-Y393 HydrophobicContact CB-CG 3.76Å; R366-Y393 HydrophobicContact CG-CD1 4.48Å; R366-Y393 HydrophobicContact CG-CD2 3.51Å; R366-Y393 HydrophobicContact CG-CE2 3.66Å; R366-Y393 HydrophobicContact CG-CG 3.95Å; L369-Y393 HydrophobicContact CB-CE1 3.86Å; L369-Y393 HydrophobicContact CD1-CE1 4.33Å; S370-Y393 VanDerWaalsContact CA-OH 3.22Å; S370-Y393 WeakPolarHBondContact CA-OH 3.37Å; S370-Y393 WeakPolarHBondContact CB-OH 3.21Å; S370-Y393 PolarHBondContact N-OH 3.35Å; A389-Y393 WeakPolarHBondContact O-CB 3.48Å; A389-Y393 PolarHBondContact O-N 2.79Å; D390-Y393 PolarHBondContact O-N 3.38Å; Y393-S395 VanDerWaalsContact C-N 3.28Å; Y393-S395 PolarHBondContact O-N 2.94Å; Y393-C396 CarbonylContact O-C 3.55Å; Y393-C396 PolarHBondContact O-N 2.82Å; Y393-S397 PolarHBondContact O-N 2.82Å
394L92.1Very high90.6Very high3 Ų333.2 Ų33.22%0.01621%0.213CC..Hα-helixtrans-52.6-49.4178.9-81.2173.5000110.6L365 L369 L379 L381 L386 D390 L391 C396 S397 V400 L408 L424L365-L394 HydrophobicContact CD2-CD1 3.52Å; L365-L394 HydrophobicContact CD2-CD2 3.9Å; L365-L394 HydrophobicContact CD2-CG 3.65Å; L369-L394 HydrophobicContact CD1-CD2 3.39Å; L379-L394 HydrophobicContact CD2-CD2 3.86Å; L381-L394 HydrophobicContact CD1-CD1 4.08Å; L386-L394 HydrophobicContact CD1-CD1 4.47Å; D390-L394 WeakPolarHBondContact O-CG 3.5Å; D390-L394 PolarHBondContact O-N 2.94Å; L391-L394 HydrophobicContact CD2-CD1 4.16Å; L391-L394 PolarHBondContact O-N 3.03Å; L394-C396 PolarHBondContact O-N 3.14Å; L394-S397 WeakPolarHBondContact O-CB 3.39Å; L394-S397 PolarHBondContact O-N 3.2Å; L394-S397 PolarHBondContact O-OG 2.78Å; L394-V400 WeakPolarHBondContact O-CG2 3.33Å; L394-L408 HydrophobicContact CD1-CD2 4.42Å; L394-L424 HydrophobicContact CB-CD1 4.04Å
395S92.6Very high91.3Very high3 Ų334.6 Ų34.62%0.02122%0.219CC..THydrogen-bonded Turntrans-61.8-9.6179.578.50000115.9L391 A392 Y393 S420 R423 Q427L391-S395 WeakPolarHBondContact O-CB 3.36Å; L391-S395 PolarHBondContact O-N 2.5Å; L391-S395 PolarHBondContact O-OG 2.9Å; A392-S395 PolarHBondContact O-N 2.93Å; A392-S395 PolarHBondContact O-OG 3.3Å; Y393-S395 VanDerWaalsContact C-N 3.28Å; Y393-S395 PolarHBondContact O-N 2.94Å; S395-S420 WeakPolarHBondContact CB-O 3.26Å; S395-R423 PolarHBondContact O-NE 2.93Å; S395-Q427 PolarHBondContact O-NE2 2.73Å; S395-Q427 PolarHBondContact O-OE1 2.91Å
396C91.3Very high91.8Very high71 Ų7130.1 Ų30.148%0.4819%0.188SC..THydrogen-bonded Turntrans-122.64.3177.9-62.50000112.4A392 Y393 L394 R423A392-C396 PolarHBondContact O-N 2.84Å; Y393-C396 CarbonylContact O-C 3.55Å; Y393-C396 PolarHBondContact O-N 2.82Å; L394-C396 PolarHBondContact O-N 3.14Å; C396-R423 PolarHBondContact SG-NH1 3.36Å
397S92.4Very high92.2Very high11 Ų1130.2 Ų30.28%0.07719%0.189CC..SBendtrans-79.3154.9-175.572.70000111.5Y393 L394 H399 V400Y393-S397 PolarHBondContact O-N 2.82Å; L394-S397 WeakPolarHBondContact O-CB 3.39Å; L394-S397 PolarHBondContact O-N 3.2Å; L394-S397 PolarHBondContact O-OG 2.78Å; S397-H399 PolarHBondContact O-N 2.78Å; S397-V400 PolarHBondContact O-N 3.43Å; S397-V400 WeakPolarHBondContact OG-CG2 3.47Å
398H91.4Very high92.5Very high91 Ų9129 Ų2942%0.42118%0.18SC..THydrogen-bonded Turntrans-70.9-10.2178.169.2-89.3000113.2
399H92.4Very high92.6Very high0 Ų026.5 Ų26.50%016%0.164CC..THydrogen-bonded Turntrans-77.2-29.4178.5-46.5-73.3000112.2L369 L376 S397 S401 S402 L403L369-H399 PolarHBondContact O-CE1 2.55Å; L369-H399 PolarHBondContact O-NE2 2.95Å; L369-H399 VanDerWaalsContact O-NE2 3.09Å; L376-H399 HydrophobicContact CB-CB 4.42Å; S397-H399 PolarHBondContact O-N 2.78Å; H399-S401 VanDerWaalsContact C-N 3.34Å; H399-S401 PolarHBondContact O-N 2.66Å; H399-S402 PolarHBondContact O-N 3.18Å; H399-S402 VanDerWaalsContact O-N 3.1Å; H399-S402 PolarHBondContact O-OG 3.05Å; H399-L403 WeakPolarHBondContact O-CG 3.4Å; H399-L403 PolarHBondContact O-N 2.85Å
400V91.4Very high92.8Very high1 Ų124.9 Ų24.91%0.00615%0.146CC..G310 helixtrans-58.4-41.8-166.4-179.30000113.5L394 S397 S402 L403 L424 Q427 A428L394-V400 WeakPolarHBondContact O-CG2 3.33Å; S397-V400 PolarHBondContact O-N 3.43Å; S397-V400 WeakPolarHBondContact OG-CG2 3.47Å; V400-S402 PolarHBondContact O-N 2.86Å; V400-L403 PolarHBondContact O-N 2.88Å; V400-L424 HydrophobicContact CG1-CD2 4.37Å; V400-L424 HydrophobicContact CG1-CG 4.02Å; V400-L424 WeakPolarHBondContact CG1-O 3.48Å; V400-L424 HydrophobicContact CG2-CG 4.34Å; V400-Q427 HydrophobicContact CB-CB 4.5Å; V400-Q427 HydrophobicContact CG1-CB 3.66Å; V400-A428 HydrophobicContact CG1-CB 3.78Å
401S90.3Very high92.8Very high79 Ų7924.8 Ų24.855%0.55215%0.145SC*.G310 helixtrans-73.8-12.2-176.451.30000114.3H399 S431H399-S401 VanDerWaalsContact C-N 3.34Å; H399-S401 PolarHBondContact O-N 2.66Å; S401-S431 WeakPolarHBondContact O-CB 3.22Å; S401-S431 PolarHBondContact O-OG 3.15Å
402S93.8Very high92.6Very high28 Ų2829.8 Ų29.820%0.19618%0.179CC..G310 helixtrans-104.8-7.9175.562.10000113.2S375 L376 H399 V400 L404S375-S402 WeakPolarHBondContact CB-OG 3.47Å; S375-S402 WeakPolarHBondContact OG-CB 3.41Å; S375-S402 PolarHBondContact OG-OG 2.95Å; L376-S402 CarbonylContact O-C 3.6Å; L376-S402 PolarHBondContact O-OG 3.32Å; H399-S402 PolarHBondContact O-N 3.18Å; H399-S402 VanDerWaalsContact O-N 3.1Å; H399-S402 PolarHBondContact O-OG 3.05Å; V400-S402 PolarHBondContact O-N 2.86Å; S402-L404 PolarHBondContact O-N 2.98Å
403L95.7Very high92.5Very high3 Ų328.3 Ų28.32%0.01617%0.166CC..  trans-65124.5-178-73.5175000110.3L376 L379 H399 V400 L406 S431 L432L376-L403 HydrophobicContact CB-CD2 4.15Å; L376-L403 WeakPolarHBondContact O-CD2 3.4Å; L379-L403 HydrophobicContact CB-CD2 3.58Å; L379-L403 HydrophobicContact CD2-CD1 4.42Å; H399-L403 WeakPolarHBondContact O-CG 3.4Å; H399-L403 PolarHBondContact O-N 2.85Å; V400-L403 PolarHBondContact O-N 2.88Å; L403-L406 HydrophobicContact CD1-CD1 4.31Å; L403-S431 CarbonylContact O-C 3.56Å; L403-S431 VanDerWaalsContact O-CB 3.31Å; L403-S431 WeakPolarHBondContact O-CB 3.43Å; L403-S431 PolarHBondContact O-OG 3.33Å; L403-L432 HydrophobicContact CB-CD1 4.35Å; L403-L432 VanDerWaalsContact O-CA 3.31Å; L403-L432 WeakPolarHBondContact O-CA 3.37Å; L403-L432 PolarHBondContact O-N 2.79Å
404L95.7Very high92.3Very high58 Ų5829.6 Ų29.630%0.30418%0.175SC..SBendtrans-94.5-35.6169.1-54.5-177000110.4E377 S402 S431 Q433 H434E377-L404 HydrophobicContact CB-CD1 4.25Å; E377-L404 HydrophobicContact CB-CG 4.27Å; E377-L404 WeakPolarHBondContact O-CA 3.29Å; E377-L404 PolarHBondContact O-N 3.31Å; S402-L404 PolarHBondContact O-N 2.98Å; L404-S431 VanDerWaalsContact CD2-O 3.31Å; L404-S431 WeakPolarHBondContact CD2-O 3.02Å; L404-Q433 WeakPolarHBondContact O-CA 3.49Å; L404-Q433 PolarHBondContact O-N 3.26Å; L404-H434 PolarHBondContact O-N 3.14Å
405Q96.1Very high92.2Very high30 Ų3034.5 Ų34.514%0.1420%0.198CC..EExtended strand (participates in β ladder)trans-131.8130179.6176163.1-31.900111.4E377 V378 L379 E380 H434E377-Q405 PolarHBondContact O-N 2.97Å; V378-Q405 HydrophobicContact CB-CB 4.41Å; V378-Q405 HydrophobicContact CG1-CB 4.07Å; V378-Q405 HydrophobicContact CG1-CG 4.11Å; V378-Q405 HydrophobicContact CG2-CB 4.16Å; L379-Q405 PolarHBondContact N-O 3.28Å; E380-Q405 PolarHBondContact OE1-NE2 2.94Å; Q405-H434 WeakPolarHBondContact CA-O 3.37Å; Q405-H434 HydrophobicContact CB-CB 4.11Å; Q405-H434 HydrophobicContact CG-CB 4Å
406L96.1Very high92.2Very high1 Ų138.4 Ų38.41%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-130.6125.2174.8-179.362.4000110.8L379 L403 L408 L424 L432 H434 L435 S436L379-L406 HydrophobicContact CB-CD1 4.24Å; L379-L406 HydrophobicContact CD2-CD1 4.14Å; L379-L406 HydrophobicContact CG-CD1 4.22Å; L379-L406 WeakPolarHBondContact O-CA 3.45Å; L403-L406 HydrophobicContact CD1-CD1 4.31Å; L406-L408 HydrophobicContact CD1-CD2 3.97Å; L406-L408 HydrophobicContact CD1-CG 4.05Å; L406-L408 HydrophobicContact CD2-CD1 4.1Å; L406-L408 HydrophobicContact CD2-CG 4.26Å; L406-L408 HydrophobicContact CG-CD1 4.42Å; L406-L408 HydrophobicContact CG-CG 4.03Å; L406-L424 HydrophobicContact CD2-CD1 4.21Å; L406-L424 HydrophobicContact CD2-CD2 3.44Å; L406-L424 VanDerWaalsContact CD2-CD2 3.44Å; L406-L424 HydrophobicContact CD2-CG 4.49Å; L406-L432 HydrophobicContact CB-CD1 3.79Å; L406-H434 PolarHBondContact N-O 3.11Å; L406-L435 HydrophobicContact CB-CD1 4.2Å; L406-L435 HydrophobicContact CD2-CD1 4.18Å; L406-L435 HydrophobicContact CG-CD1 4.27Å; L406-L435 WeakPolarHBondContact O-CA 3.35Å; L406-S436 PolarHBondContact O-N 2.86Å
407D94.5Very high92.2Very high17 Ų1735.2 Ų35.29%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-120114.6172.3-158.2-38.9000110L379 E380 L381 S409 S436 K554L379-D407 PolarHBondContact O-N 2.81Å; E380-D407 HydrophobicContact CB-CB 4.03Å; E380-D407 HydrophobicContact CG-CB 3.91Å; L381-D407 PolarHBondContact N-O 3.38Å; D407-S409 WeakPolarHBondContact OD1-CB 3.45Å; D407-S409 PolarHBondContact OD1-N 2.94Å; D407-S409 PolarHBondContact OD1-OG 3.32Å; D407-S436 WeakPolarHBondContact OD2-CB 3.27Å; D407-K554 IonicContact OD2-NZ 3.06Å; D407-K554 PolarHBondContact OD2-NZ 3.01Å
408L93.9Very high92.2Very high3 Ų334.9 Ų34.92%0.01620%0.198CC..  trans-11618.9174.1-59.1175.6000111.4L381 L386 L391 L394 L406 N411 S436 L437 C440L381-L408 HydrophobicContact CB-CD2 4.22Å; L381-L408 HydrophobicContact CD1-CD2 4.23Å; L386-L408 HydrophobicContact CD1-CD2 3.83Å; L391-L408 HydrophobicContact CD2-CD1 4.12Å; L394-L408 HydrophobicContact CD1-CD2 4.42Å; L406-L408 HydrophobicContact CD1-CD2 3.97Å; L406-L408 HydrophobicContact CD1-CG 4.05Å; L406-L408 HydrophobicContact CD2-CD1 4.1Å; L406-L408 HydrophobicContact CD2-CG 4.26Å; L406-L408 HydrophobicContact CG-CD1 4.42Å; L406-L408 HydrophobicContact CG-CG 4.03Å; L408-N411 WeakPolarHBondContact O-CB 3.22Å; L408-N411 PolarHBondContact O-N 3.12Å; L408-N411 PolarHBondContact O-ND2 3.11Å; L408-S436 PolarHBondContact N-O 3.49Å; L408-L437 HydrophobicContact CB-CD2 3.87Å; L408-L437 HydrophobicContact CD1-CD2 4.14Å; L408-L437 HydrophobicContact CG-CD2 4.4Å; L408-C440 PolarHBondContact O-SG 3.1Å; L408-C440 VanDerWaalsContact O-SG 3.33Å
409S92.3Very high92.4Very high11 Ų1134.5 Ų34.58%0.07720%0.203CC..THydrogen-bonded Turntrans-54.1145.7-174-51.80000111.6P382 Y383 D407 N411 S436 S438P382-S409 WeakPolarHBondContact CA-O 3.23Å; Y383-S409 PolarHBondContact N-O 3.23Å; Y383-S409 VanDerWaalsContact N-O 3.15Å; D407-S409 WeakPolarHBondContact OD1-CB 3.45Å; D407-S409 PolarHBondContact OD1-N 2.94Å; D407-S409 PolarHBondContact OD1-OG 3.32Å; S409-N411 PolarHBondContact O-N 3.26Å; S409-N411 VanDerWaalsContact O-N 3.14Å; S409-N411 PolarHBondContact O-ND2 3.42Å; S409-S436 PolarHBondContact OG-OG 3.4Å; S409-S438 CarbonylContact C-O 3.54Å; S409-S438 WeakPolarHBondContact CA-O 3.04Å; S409-S438 WeakPolarHBondContact CB-O 3.47Å; S409-S438 PolarHBondContact OG-N 2.86Å
410E91Very high92.5Very high29 Ų2935.5 Ų35.514%0.13621%0.21CC..THydrogen-bonded Turntrans63.324.3173.4-55.2-85156.400113.2Y383 S438 G439 S510Y383-E410 HydrophobicContact CD1-CB 3.34Å; Y383-E410 HydrophobicContact CD1-CG 3.82Å; Y383-E410 HydrophobicContact CD2-CB 4.25Å; Y383-E410 HydrophobicContact CD2-CG 4.46Å; Y383-E410 HydrophobicContact CE1-CB 3.38Å; Y383-E410 HydrophobicContact CE1-CG 3.27Å; Y383-E410 WeakPolarHBondContact CE1-OE2 3.38Å; Y383-E410 HydrophobicContact CE2-CB 4.28Å; Y383-E410 HydrophobicContact CE2-CG 3.99Å; Y383-E410 HydrophobicContact CG-CB 3.8Å; Y383-E410 HydrophobicContact CG-CG 4.38Å; E410-S438 PolarHBondContact N-O 2.98Å; E410-G439 WeakPolarHBondContact CA-O 3.33Å; E410-G439 WeakPolarHBondContact OE1-CA 3.46Å; E410-S510 WeakPolarHBondContact OE1-CB 3.29Å; E410-S510 PolarHBondContact OE1-OG 2.62Å; E410-S510 WeakPolarHBondContact OE2-CB 3.09Å; E410-S510 PolarHBondContact OE2-OG 3.48Å
411N89.7Confident92.7Very high1 Ų135.6 Ų35.61%0.00521%0.211CC..SBendtrans-104.6126.6161.3-64.7-76.2000108.5L381 L384 S385 L386 L408 S409 L413 C440L381-N411 PolarHBondContact O-ND2 3.05Å; L384-N411 PolarHBondContact N-OD1 2.95Å; S385-N411 PolarHBondContact N-OD1 3.2Å; L386-N411 HydrophobicContact CB-CB 4.45Å; L386-N411 HydrophobicContact CD1-CB 4.49Å; L386-N411 WeakPolarHBondContact CG-OD1 3.24Å; L386-N411 PolarHBondContact N-OD1 3.32Å; L408-N411 WeakPolarHBondContact O-CB 3.22Å; L408-N411 PolarHBondContact O-N 3.12Å; L408-N411 PolarHBondContact O-ND2 3.11Å; S409-N411 PolarHBondContact O-N 3.26Å; S409-N411 VanDerWaalsContact O-N 3.14Å; S409-N411 PolarHBondContact O-ND2 3.42Å; N411-L413 PolarHBondContact O-N 3.41Å; N411-C440 VanDerWaalsContact O-CA 3.31Å; N411-C440 WeakPolarHBondContact O-CA 3.38Å; N411-C440 PolarHBondContact O-SG 3.17Å; N411-C440 VanDerWaalsContact O-SG 3.35Å
412C87.6Confident92.9Very high108 Ų10837 Ų3773%0.7320%0.204SC*.  trans-64.5120.3179.9-59.60000110.7
413L90.1Very high93Very high9 Ų942 Ų425%0.04722%0.218CC..  trans-103.8131.8174.8-55.9-177.5000109.4L391 N411 I421 L437 C440 L442 L446L391-L413 HydrophobicContact CD1-CD2 3.93Å; N411-L413 PolarHBondContact O-N 3.41Å; L413-I421 HydrophobicContact CB-CD1 4.27Å; L413-I421 HydrophobicContact CD1-CD1 3.46Å; L413-I421 VanDerWaalsContact CD1-CD1 3.46Å; L413-I421 HydrophobicContact CD2-CD1 3.4Å; L413-I421 HydrophobicContact CG-CD1 3.86Å; L413-L437 HydrophobicContact CD1-CD2 4.46Å; L413-C440 HydrophobicContact CB-CB 4.47Å; L413-C440 HydrophobicContact CD1-CB 3.68Å; L413-C440 HydrophobicContact CG-CB 3.78Å; L413-C440 PolarHBondContact N-O 3.36Å; L413-L442 HydrophobicContact CB-CD2 4.16Å; L413-L442 HydrophobicContact CD1-CD2 3.89Å; L413-L442 HydrophobicContact CD1-CG 4.46Å; L413-L446 WeakPolarHBondContact O-CD1 3.42Å
414D88.9Confident93Very high65 Ų6542 Ų4235%0.34822%0.219SC..  trans-131.7179.4-175.772.2-8.8000110.9T416 T417 V418D414-T416 VanDerWaalsContact CG-OG1 3.25Å; D414-T416 PolarHBondContact O-N 2.98Å; D414-T416 VanDerWaalsContact O-N 3.17Å; D414-T416 PolarHBondContact OD1-N 3.08Å; D414-T416 VanDerWaalsContact OD1-N 3.11Å; D414-T416 PolarHBondContact OD1-OG1 3.32Å; D414-T416 PolarHBondContact OD2-OG1 3.02Å; D414-T417 PolarHBondContact N-OG1 2.91Å; D414-T417 PolarHBondContact O-N 3.43Å; D414-T417 PolarHBondContact O-OG1 3.12Å; D414-T417 WeakPolarHBondContact OD1-CB 3.07Å; D414-T417 VanDerWaalsContact OD1-CG2 3.23Å; D414-T417 WeakPolarHBondContact OD1-CG2 3.08Å; D414-T417 PolarHBondContact OD1-N 3Å; D414-T417 PolarHBondContact OD1-OG1 3.23Å; D414-V418 VanDerWaalsContact O-CG2 3.31Å; D414-V418 WeakPolarHBondContact O-CG2 3.19Å; D414-V418 PolarHBondContact O-N 3.42Å
415E90.1Very high93Very high106 Ų10639.3 Ų39.350%0.49520%0.204SC..THydrogen-bonded Turntrans-61.6-25.7179.4-64-171.5-16400113.2P419 R445 L446 M449E415-P419 WeakPolarHBondContact O-CD 3.48Å; E415-R445 IonicContact OE1-CZ 3.15Å; E415-R445 IonicContact OE1-NE 2.79Å; E415-R445 IonicContact OE1-NH1 2.92Å; E415-R445 PolarHBondContact OE1-NH1 3.35Å; E415-R445 IonicContact OE1-NH2 3.33Å; E415-R445 PolarHBondContact OE1-NH2 3.33Å; E415-R445 IonicContact OE2-CZ 2.95Å; E415-R445 IonicContact OE2-NH2 2.88Å; E415-R445 PolarHBondContact OE2-NH2 2.9Å; E415-L446 HydrophobicContact CG-CD2 3.89Å; E415-M449 HydrophobicContact CG-CE 4.47Å
416T91.4Very high92.9Very high85 Ų8541.3 Ų41.352%0.52122%0.221SC..THydrogen-bonded Turntrans-76.9-29.5-179.376.70000112.7D414D414-T416 VanDerWaalsContact CG-OG1 3.25Å; D414-T416 PolarHBondContact O-N 2.98Å; D414-T416 VanDerWaalsContact O-N 3.17Å; D414-T416 PolarHBondContact OD1-N 3.08Å; D414-T416 VanDerWaalsContact OD1-N 3.11Å; D414-T416 PolarHBondContact OD1-OG1 3.32Å; D414-T416 PolarHBondContact OD2-OG1 3.02Å
417T91.6Very high92.8Very high3 Ų344.7 Ų44.72%0.01824%0.237CC..THydrogen-bonded Turntrans-91.3-25.3-17750.30000113.3P388 L391 D414 S420 I421P388-T417 HydrophobicContact CB-CG2 3.96Å; P388-T417 HydrophobicContact CG-CG2 3.92Å; L391-T417 HydrophobicContact CD1-CG2 3.57Å; D414-T417 PolarHBondContact N-OG1 2.91Å; D414-T417 PolarHBondContact O-N 3.43Å; D414-T417 PolarHBondContact O-OG1 3.12Å; D414-T417 WeakPolarHBondContact OD1-CB 3.07Å; D414-T417 VanDerWaalsContact OD1-CG2 3.23Å; D414-T417 WeakPolarHBondContact OD1-CG2 3.08Å; D414-T417 PolarHBondContact OD1-N 3Å; D414-T417 PolarHBondContact OD1-OG1 3.23Å; T417-S420 WeakPolarHBondContact O-CB 3.17Å; T417-S420 PolarHBondContact O-N 3.2Å; T417-S420 VanDerWaalsContact O-N 3.07Å; T417-I421 PolarHBondContact O-N 2.92Å; T417-I421 VanDerWaalsContact O-N 3.13Å
418V92.6Very high92.8Very high5 Ų543.9 Ų43.93%0.0323%0.232CC..Hα-helixtrans-49.9-46.2178.6163.60000113.8D414 S420 I421 R422 L446 M449 L450D414-V418 VanDerWaalsContact O-CG2 3.31Å; D414-V418 WeakPolarHBondContact O-CG2 3.19Å; D414-V418 PolarHBondContact O-N 3.42Å; V418-S420 VanDerWaalsContact C-N 3.3Å; V418-S420 PolarHBondContact O-N 2.7Å; V418-I421 PolarHBondContact O-N 3.08Å; V418-R422 HydrophobicContact CG1-CG 4.18Å; V418-R422 WeakPolarHBondContact O-CG 3.42Å; V418-R422 PolarHBondContact O-N 2.83Å; V418-L446 HydrophobicContact CG2-CD2 3.84Å; V418-M449 HydrophobicContact CB-CE 4.47Å; V418-M449 HydrophobicContact CG1-CB 3.92Å; V418-M449 HydrophobicContact CG1-CE 4.17Å; V418-M449 HydrophobicContact CG1-SD 4.41Å; V418-M449 HydrophobicContact CG2-CE 4.13Å; V418-L450 HydrophobicContact CG1-CD2 4.16Å
419P94.8Very high92.8Very high82 Ų8245 Ų4553%0.53224%0.241SC..Hα-helixtrans-58.3-40.3178.6-25.835.4000113.4E415 R423E415-P419 WeakPolarHBondContact O-CD 3.48Å; P419-R423 WeakPolarHBondContact O-CB 3.39Å; P419-R423 PolarHBondContact O-N 2.78Å; P419-R423 VanDerWaalsContact O-N 3.07Å
420S95.2Very high92.8Very high21 Ų2147.5 Ų47.515%0.14726%0.258CS..Hα-helixtrans-65.8-42.3177.7-58.60000111.2S395 T417 V418 R423 L424S395-S420 WeakPolarHBondContact CB-O 3.26Å; T417-S420 WeakPolarHBondContact O-CB 3.17Å; T417-S420 PolarHBondContact O-N 3.2Å; T417-S420 VanDerWaalsContact O-N 3.07Å; V418-S420 VanDerWaalsContact C-N 3.3Å; V418-S420 PolarHBondContact O-N 2.7Å; S420-R423 PolarHBondContact O-N 3.17Å; S420-L424 WeakPolarHBondContact O-CB 3.38Å; S420-L424 PolarHBondContact O-N 2.97Å
421I95.2Very high93Very high4 Ų446.9 Ų46.92%0.02126%0.257CS..Hα-helixtrans-67.1-43.9178.5-61.4168.9000111L413 T417 V418 R423 L424 L425 L450L413-I421 HydrophobicContact CB-CD1 4.27Å; L413-I421 HydrophobicContact CD1-CD1 3.46Å; L413-I421 VanDerWaalsContact CD1-CD1 3.46Å; L413-I421 HydrophobicContact CD2-CD1 3.4Å; L413-I421 HydrophobicContact CG-CD1 3.86Å; T417-I421 PolarHBondContact O-N 2.92Å; T417-I421 VanDerWaalsContact O-N 3.13Å; V418-I421 PolarHBondContact O-N 3.08Å; I421-R423 VanDerWaalsContact C-N 3.28Å; I421-R423 PolarHBondContact O-N 3.4Å; I421-L424 WeakPolarHBondContact O-CB 3.37Å; I421-L424 PolarHBondContact O-N 3.41Å; I421-L424 VanDerWaalsContact O-N 3.15Å; I421-L425 HydrophobicContact CG2-CD1 4.02Å; I421-L425 HydrophobicContact CG2-CG 4.25Å; I421-L425 WeakPolarHBondContact O-CG 3.35Å; I421-L425 PolarHBondContact O-N 2.97Å; I421-L450 HydrophobicContact CB-CD2 4.12Å; I421-L450 HydrophobicContact CG2-CD2 3.8Å
422R95.4Very high93.3Very high109 Ų10946.9 Ų46.941%0.41126%0.257SS..Hα-helixtrans-57.1-45.1175.7-72.3-178.467.6-162.5-0.3111.4V418 L425 C426 M449 L450 S453V418-R422 HydrophobicContact CG1-CG 4.18Å; V418-R422 WeakPolarHBondContact O-CG 3.42Å; V418-R422 PolarHBondContact O-N 2.83Å; R422-L425 PolarHBondContact O-N 3.03Å; R422-C426 WeakPolarHBondContact O-CB 3.46Å; R422-C426 PolarHBondContact O-N 3.24Å; R422-C426 PolarHBondContact O-SG 3.32Å; R422-M449 VanDerWaalsContact CD-O 3.29Å; R422-M449 WeakPolarHBondContact CD-O 3.5Å; R422-M449 PolarHBondContact NE-O 3.17Å; R422-L450 HydrophobicContact CG-CD2 3.8Å; R422-S453 WeakPolarHBondContact CB-OG 3.41Å
423R95.4Very high93.7Very high131 Ų13144.1 Ų44.149%0.49423%0.233SC..Hα-helixtrans-61.8-45.7176-178.7178.6-179.5159.82111.6S395 C396 P419 S420 I421 L425 C426 Q427S395-R423 PolarHBondContact O-NE 2.93Å; C396-R423 PolarHBondContact SG-NH1 3.36Å; P419-R423 WeakPolarHBondContact O-CB 3.39Å; P419-R423 PolarHBondContact O-N 2.78Å; P419-R423 VanDerWaalsContact O-N 3.07Å; S420-R423 PolarHBondContact O-N 3.17Å; I421-R423 VanDerWaalsContact C-N 3.28Å; I421-R423 PolarHBondContact O-N 3.4Å; R423-L425 PolarHBondContact O-N 3.34Å; R423-C426 PolarHBondContact O-N 3.35Å; R423-Q427 WeakPolarHBondContact O-CG 3.33Å; R423-Q427 PolarHBondContact O-N 3.1Å
424L95.6Very high94Very high4 Ų444 Ų442%0.02123%0.233CC..Hα-helixtrans-56.8-50.8177.3-172.6157.9000110.8L394 V400 L406 S420 I421 C426 Q427 A428L394-L424 HydrophobicContact CB-CD1 4.04Å; V400-L424 HydrophobicContact CG1-CD2 4.37Å; V400-L424 HydrophobicContact CG1-CG 4.02Å; V400-L424 WeakPolarHBondContact CG1-O 3.48Å; V400-L424 HydrophobicContact CG2-CG 4.34Å; L406-L424 HydrophobicContact CD2-CD1 4.21Å; L406-L424 HydrophobicContact CD2-CD2 3.44Å; L406-L424 VanDerWaalsContact CD2-CD2 3.44Å; L406-L424 HydrophobicContact CD2-CG 4.49Å; S420-L424 WeakPolarHBondContact O-CB 3.38Å; S420-L424 PolarHBondContact O-N 2.97Å; I421-L424 WeakPolarHBondContact O-CB 3.37Å; I421-L424 PolarHBondContact O-N 3.41Å; I421-L424 VanDerWaalsContact O-N 3.15Å; L424-C426 PolarHBondContact O-N 3.29Å; L424-Q427 PolarHBondContact O-N 3.18Å; L424-A428 WeakPolarHBondContact O-CB 3.41Å; L424-A428 PolarHBondContact O-N 3.27Å
425L95.1Very high94.3Very high1 Ų141 Ų411%0.00522%0.216CC..Hα-helixtrans-61.1-42.9179.2-67.6174.4000111.9I421 R422 R423 Q427 A428 S429 L432 L435 L454I421-L425 HydrophobicContact CG2-CD1 4.02Å; I421-L425 HydrophobicContact CG2-CG 4.25Å; I421-L425 WeakPolarHBondContact O-CG 3.35Å; I421-L425 PolarHBondContact O-N 2.97Å; R422-L425 PolarHBondContact O-N 3.03Å; R423-L425 PolarHBondContact O-N 3.34Å; L425-Q427 VanDerWaalsContact C-N 3.32Å; L425-Q427 PolarHBondContact O-N 3.37Å; L425-A428 PolarHBondContact O-N 3.38Å; L425-S429 WeakPolarHBondContact O-CA 3.35Å; L425-S429 WeakPolarHBondContact O-CB 3.14Å; L425-S429 PolarHBondContact O-N 2.9Å; L425-L432 HydrophobicContact CD2-CD2 4.22Å; L425-L435 HydrophobicContact CD2-CD2 3.58Å; L425-L454 HydrophobicContact CD1-CD2 3.71Å; L425-L454 HydrophobicContact CD1-CG 3.91Å; L425-L454 HydrophobicContact CD2-CD2 4.2Å
426C94.3Very high94.5Very high73 Ų7336.1 Ų36.149%0.49319%0.194SC..Hα-helixtrans-60.7-41.4176-69.90000112.1R422 R423 L424 S429R422-C426 WeakPolarHBondContact O-CB 3.46Å; R422-C426 PolarHBondContact O-N 3.24Å; R422-C426 PolarHBondContact O-SG 3.32Å; R423-C426 PolarHBondContact O-N 3.35Å; L424-C426 PolarHBondContact O-N 3.29Å; C426-S429 WeakPolarHBondContact O-CB 3.42Å; C426-S429 PolarHBondContact O-OG 3.23Å
427Q94Very high94.7Very high71 Ų7132.1 Ų32.133%0.33217%0.17SC..Hα-helixtrans-72-35.6179.1-73.2-177.4-7.200113.2S395 V400 R423 L424 L425 S429S395-Q427 PolarHBondContact O-NE2 2.73Å; S395-Q427 PolarHBondContact O-OE1 2.91Å; V400-Q427 HydrophobicContact CB-CB 4.5Å; V400-Q427 HydrophobicContact CG1-CB 3.66Å; R423-Q427 WeakPolarHBondContact O-CG 3.33Å; R423-Q427 PolarHBondContact O-N 3.1Å; L424-Q427 PolarHBondContact O-N 3.18Å; L425-Q427 VanDerWaalsContact C-N 3.32Å; L425-Q427 PolarHBondContact O-N 3.37Å; Q427-S429 VanDerWaalsContact C-N 3.3Å
428A94.3Very high94.8Very high0 Ų032.5 Ų32.50%017%0.173CC..Hα-helixtrans-86.30.9178.400000113.2V400 L424 L425 S430 S431 L432V400-A428 HydrophobicContact CG1-CB 3.78Å; L424-A428 WeakPolarHBondContact O-CB 3.41Å; L424-A428 PolarHBondContact O-N 3.27Å; L425-A428 PolarHBondContact O-N 3.38Å; A428-S430 PolarHBondContact O-N 2.87Å; A428-S431 PolarHBondContact O-N 2.84Å; A428-S431 PolarHBondContact O-OG 2.94Å; A428-L432 HydrophobicContact CB-CB 3.96Å; A428-L432 HydrophobicContact CB-CD2 4.35Å; A428-L432 VanDerWaalsContact O-CB 3.24Å; A428-L432 WeakPolarHBondContact O-CB 3.41Å; A428-L432 PolarHBondContact O-N 2.87Å
429S93.8Very high94.7Very high28 Ų2832.6 Ų32.620%0.19618%0.175CC..THydrogen-bonded Turntrans-55.3-30-168.556.60000115L425 C426 Q427 W458 A459L425-S429 WeakPolarHBondContact O-CA 3.35Å; L425-S429 WeakPolarHBondContact O-CB 3.14Å; L425-S429 PolarHBondContact O-N 2.9Å; C426-S429 WeakPolarHBondContact O-CB 3.42Å; C426-S429 PolarHBondContact O-OG 3.23Å; Q427-S429 VanDerWaalsContact C-N 3.3Å; S429-W458 PolarHBondContact O-N 2.79Å; S429-A459 PolarHBondContact O-N 3.28Å
430S93.1Very high94.6Very high62 Ų6228.7 Ų28.743%0.43415%0.149SC..THydrogen-bonded Turntrans-91.9-18.6-179.555.70000115.6A428 A459A428-S430 PolarHBondContact O-N 2.87Å; S430-A459 WeakPolarHBondContact O-CB 3.44Å
431S95Very high94.4Very high17 Ų1729.3 Ų29.312%0.11916%0.159CC..THydrogen-bonded Turntrans-110.3-33.2-174.3620000112.5S401 L403 L404 A428 Q433S401-S431 WeakPolarHBondContact O-CB 3.22Å; S401-S431 PolarHBondContact O-OG 3.15Å; L403-S431 CarbonylContact O-C 3.56Å; L403-S431 VanDerWaalsContact O-CB 3.31Å; L403-S431 WeakPolarHBondContact O-CB 3.43Å; L403-S431 PolarHBondContact O-OG 3.33Å; L404-S431 VanDerWaalsContact CD2-O 3.31Å; L404-S431 WeakPolarHBondContact CD2-O 3.02Å; A428-S431 PolarHBondContact O-N 2.84Å; A428-S431 PolarHBondContact O-OG 2.94Å; S431-Q433 PolarHBondContact O-N 3.47Å
432L96Very high94.3Very high0 Ų029.2 Ų29.20%016%0.158CC..  trans-71.2116.8-170.3-168.168.5000111.1L403 L406 L425 A428 L435 A459 L460L403-L432 HydrophobicContact CB-CD1 4.35Å; L403-L432 VanDerWaalsContact O-CA 3.31Å; L403-L432 WeakPolarHBondContact O-CA 3.37Å; L403-L432 PolarHBondContact O-N 2.79Å; L406-L432 HydrophobicContact CB-CD1 3.79Å; L425-L432 HydrophobicContact CD2-CD2 4.22Å; A428-L432 HydrophobicContact CB-CB 3.96Å; A428-L432 HydrophobicContact CB-CD2 4.35Å; A428-L432 VanDerWaalsContact O-CB 3.24Å; A428-L432 WeakPolarHBondContact O-CB 3.41Å; A428-L432 PolarHBondContact O-N 2.87Å; L432-L435 HydrophobicContact CD2-CB 4.14Å; L432-L435 HydrophobicContact CD2-CD1 4.34Å; L432-L435 HydrophobicContact CD2-CD2 4.41Å; L432-A459 CarbonylContact O-C 3.37Å; L432-L460 HydrophobicContact CD2-CD1 4.2Å; L432-L460 HydrophobicContact CG-CD1 4Å; L432-L460 VanDerWaalsContact O-CA 3.26Å; L432-L460 WeakPolarHBondContact O-CA 3.49Å; L432-L460 PolarHBondContact O-N 3.41Å; L432-L460 VanDerWaalsContact O-N 3.17Å
433Q95.5Very high94.2Very high50 Ų5025.9 Ų25.923%0.23415%0.15CC..  trans-102.1-35.6179.8-62.9-178.940.100111.5L404 S431 L460 K461 S462L404-Q433 WeakPolarHBondContact O-CA 3.49Å; L404-Q433 PolarHBondContact O-N 3.26Å; S431-Q433 PolarHBondContact O-N 3.47Å; Q433-L460 WeakPolarHBondContact O-CD1 3.1Å; Q433-K461 HydrophobicContact CB-CD 4.3Å; Q433-K461 WeakPolarHBondContact O-CA 3.44Å; Q433-K461 PolarHBondContact O-N 3.39Å; Q433-S462 PolarHBondContact O-N 3.25Å
434H95.9Very high94.2Very high7 Ų722.5 Ų22.53%0.03214%0.142CC..EExtended strand (participates in β ladder)trans-128.4123.4-176.1-56.2-60.9000111L404 Q405 L406 S462 D558L404-H434 PolarHBondContact O-N 3.14Å; Q405-H434 WeakPolarHBondContact CA-O 3.37Å; Q405-H434 HydrophobicContact CB-CB 4.11Å; Q405-H434 HydrophobicContact CG-CB 4Å; L406-H434 PolarHBondContact N-O 3.11Å; H434-S462 WeakPolarHBondContact ND1-CB 3.44Å; H434-D558 IonicContact CD2-OD2 3.83Å; H434-D558 IonicContact CE1-OD1 3.6Å; H434-D558 IonicContact CE1-OD2 2.9Å; H434-D558 PolarHBondContact CE1-OD2 3.34Å; H434-D558 IonicContact NE2-OD1 3.86Å; H434-D558 PolarHBondContact NE2-OD1 3.27Å; H434-D558 IonicContact NE2-OD2 2.93Å; H434-D558 PolarHBondContact NE2-OD2 3.46Å
435L96.2Very high94.1Very high1 Ų129.7 Ų29.71%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-127.9129.8177.9177.961.4000110.7L406 L425 L432 L437 L454 L460 S462 L463 A464L406-L435 HydrophobicContact CB-CD1 4.2Å; L406-L435 HydrophobicContact CD2-CD1 4.18Å; L406-L435 HydrophobicContact CG-CD1 4.27Å; L406-L435 WeakPolarHBondContact O-CA 3.35Å; L425-L435 HydrophobicContact CD2-CD2 3.58Å; L432-L435 HydrophobicContact CD2-CB 4.14Å; L432-L435 HydrophobicContact CD2-CD1 4.34Å; L432-L435 HydrophobicContact CD2-CD2 4.41Å; L435-L437 HydrophobicContact CD1-CD2 4.07Å; L435-L437 HydrophobicContact CD1-CG 4.04Å; L435-L437 HydrophobicContact CD2-CD1 4.15Å; L435-L437 HydrophobicContact CD2-CG 4.37Å; L435-L437 HydrophobicContact CG-CD1 4.44Å; L435-L437 HydrophobicContact CG-CG 4.11Å; L435-L454 HydrophobicContact CD2-CD2 3.55Å; L435-L460 HydrophobicContact CB-CD1 3.75Å; L435-L460 HydrophobicContact CB-CD2 4.43Å; L435-S462 PolarHBondContact N-O 3.29Å; L435-L463 HydrophobicContact CB-CD1 4.11Å; L435-L463 HydrophobicContact CD2-CD1 3.92Å; L435-L463 HydrophobicContact CG-CD1 4.04Å; L435-L463 CarbonylContact O-C 3.58Å; L435-L463 WeakPolarHBondContact O-CA 3.41Å; L435-A464 PolarHBondContact O-N 2.79Å
436S95.2Very high94Very high5 Ų530.3 Ų30.34%0.03517%0.172CC..EExtended strand (participates in β ladder)trans-124.2122.5171.3-167.70000110.9L406 D407 L408 S409L406-S436 PolarHBondContact O-N 2.86Å; D407-S436 WeakPolarHBondContact OD2-CB 3.27Å; L408-S436 PolarHBondContact N-O 3.49Å; S409-S436 PolarHBondContact OG-OG 3.4Å
437L95.4Very high94.1Very high1 Ų127 Ų271%0.00515%0.149CC..  trans-127.938174.7-58.3176.7000109.3L408 L413 L435 C440 L442 A464 L465 N468L408-L437 HydrophobicContact CB-CD2 3.87Å; L408-L437 HydrophobicContact CD1-CD2 4.14Å; L408-L437 HydrophobicContact CG-CD2 4.4Å; L413-L437 HydrophobicContact CD1-CD2 4.46Å; L435-L437 HydrophobicContact CD1-CD2 4.07Å; L435-L437 HydrophobicContact CD1-CG 4.04Å; L435-L437 HydrophobicContact CD2-CD1 4.15Å; L435-L437 HydrophobicContact CD2-CG 4.37Å; L435-L437 HydrophobicContact CG-CD1 4.44Å; L435-L437 HydrophobicContact CG-CG 4.11Å; L437-C440 VanDerWaalsContact C-SG 3.59Å; L437-C440 WeakPolarHBondContact O-CB 3.07Å; L437-L442 HydrophobicContact CB-CD1 4.19Å; L437-L442 HydrophobicContact CD1-CD1 4.5Å; L437-A464 PolarHBondContact N-O 3.18Å; L437-L465 HydrophobicContact CB-CD2 3.85Å; L437-L465 HydrophobicContact CD1-CD2 4.43Å; L437-N468 PolarHBondContact O-ND2 3.45Å
438S93.4Very high94.1Very high11 Ų1125.2 Ų25.28%0.07715%0.15CC..THydrogen-bonded Turntrans-71.7141.2-179.1-60.10000110.5S409 E410 C440 A466S409-S438 CarbonylContact C-O 3.54Å; S409-S438 WeakPolarHBondContact CA-O 3.04Å; S409-S438 WeakPolarHBondContact CB-O 3.47Å; S409-S438 PolarHBondContact OG-N 2.86Å; E410-S438 PolarHBondContact N-O 2.98Å; S438-C440 PolarHBondContact O-N 2.94Å; S438-A466 CarbonylContact C-O 3.55Å; S438-A466 WeakPolarHBondContact CA-O 3.42Å; S438-A466 VanDerWaalsContact CB-O 3.29Å; S438-A466 WeakPolarHBondContact CB-O 3.36Å; S438-A466 PolarHBondContact OG-N 2.98Å
439G90.6Very high94.1Very high7 Ų728.1 Ų28.17%0.07216%0.164CC..THydrogen-bonded Turntrans65.920.7176.700000114.8E410 G441 A466 L467E410-G439 WeakPolarHBondContact CA-O 3.33Å; E410-G439 WeakPolarHBondContact OE1-CA 3.46Å; G439-G441 VanDerWaalsContact C-N 3.29Å; G439-G441 PolarHBondContact O-N 2.95Å; G439-A466 PolarHBondContact N-O 3.44Å; G439-L467 WeakPolarHBondContact CA-O 3.43Å
440C92.3Very high94.2Very high0 Ų026.8 Ų26.80%016%0.155CC..SBendtrans-83.5-1-176.8-80.30000114.1L408 N411 L413 L437 S438 L442 N468L408-C440 PolarHBondContact O-SG 3.1Å; L408-C440 VanDerWaalsContact O-SG 3.33Å; N411-C440 VanDerWaalsContact O-CA 3.31Å; N411-C440 WeakPolarHBondContact O-CA 3.38Å; N411-C440 PolarHBondContact O-SG 3.17Å; N411-C440 VanDerWaalsContact O-SG 3.35Å; L413-C440 HydrophobicContact CB-CB 4.47Å; L413-C440 HydrophobicContact CD1-CB 3.68Å; L413-C440 HydrophobicContact CG-CB 3.78Å; L413-C440 PolarHBondContact N-O 3.36Å; L437-C440 VanDerWaalsContact C-SG 3.59Å; L437-C440 WeakPolarHBondContact O-CB 3.07Å; S438-C440 PolarHBondContact O-N 2.94Å; C440-L442 VanDerWaalsContact C-N 3.33Å; C440-L442 HydrophobicContact CB-CD1 4.38Å; C440-L442 HydrophobicContact CB-CG 4.01Å; C440-N468 PolarHBondContact N-OD1 3.5Å
441G91Very high94.3Very high34 Ų3424.6 Ų24.635%0.35114%0.138SC..  trans71.726-175.400000113.4G439 T443 N468G439-G441 VanDerWaalsContact C-N 3.29Å; G439-G441 PolarHBondContact O-N 2.95Å; G441-T443 PolarHBondContact O-N 3.12Å; G441-T443 VanDerWaalsContact O-N 3.17Å; G441-N468 PolarHBondContact N-OD1 3.22Å; G441-N468 VanDerWaalsContact N-OD1 3.12Å
442L93.6Very high94.3Very high2 Ų227.9 Ų27.91%0.0116%0.159CC..  trans-68.5111.5179.7-65.4172.7000110.8L413 L437 C440 L446 L450 L465 N468 P469 L470L413-L442 HydrophobicContact CB-CD2 4.16Å; L413-L442 HydrophobicContact CD1-CD2 3.89Å; L413-L442 HydrophobicContact CD1-CG 4.46Å; L437-L442 HydrophobicContact CB-CD1 4.19Å; L437-L442 HydrophobicContact CD1-CD1 4.5Å; C440-L442 VanDerWaalsContact C-N 3.33Å; C440-L442 HydrophobicContact CB-CD1 4.38Å; C440-L442 HydrophobicContact CB-CG 4.01Å; L442-L446 HydrophobicContact CD2-CB 4.24Å; L442-L450 HydrophobicContact CD2-CD1 3.69Å; L442-L465 HydrophobicContact CD1-CD2 3.74Å; L442-N468 HydrophobicContact CB-CB 4.06Å; L442-N468 WeakPolarHBondContact CB-OD1 3.31Å; L442-N468 PolarHBondContact N-OD1 3.23Å; L442-P469 WeakPolarHBondContact O-CD 3.5Å; L442-L470 VanDerWaalsContact O-CD2 3.23Å; L442-L470 WeakPolarHBondContact O-CD2 3.46Å
443T93.4Very high94.2Very high39 Ų3928.2 Ų28.224%0.23916%0.162CC..  trans-84.2163.9167.862.40000110.9G441 R445 L446 L447 P469 L507G441-T443 PolarHBondContact O-N 3.12Å; G441-T443 VanDerWaalsContact O-N 3.17Å; T443-R445 PolarHBondContact O-N 2.89Å; T443-R445 VanDerWaalsContact O-N 3.11Å; T443-L446 PolarHBondContact O-N 2.85Å; T443-L447 WeakPolarHBondContact O-CB 3.43Å; T443-L447 PolarHBondContact O-N 3.33Å; T443-P469 HydrophobicContact CG2-CG 4.31Å; T443-L507 HydrophobicContact CG2-CD2 3.88Å
444D94.1Very high94.1Very high59 Ų5925.9 Ų25.932%0.31615%0.151SC..Hα-helixtrans-49.2-40.1176.2-67.91000113.2G448 L470 S471D444-G448 PolarHBondContact O-N 3.04Å; D444-L470 WeakPolarHBondContact OD1-CA 3.34Å; D444-S471 PolarHBondContact OD1-N 3.25Å; D444-S471 WeakPolarHBondContact OD2-CB 3.45Å; D444-S471 PolarHBondContact OD2-OG 2.87Å
445R93.6Very high93.9Very high156 Ų15627 Ų2759%0.58917%0.165SC*.Hα-helixtrans-66.1-47.9178.1-179.4176.6172.1-151.2-15.6111.9E415 T443 G448 M449E415-R445 IonicContact OE1-CZ 3.15Å; E415-R445 IonicContact OE1-NE 2.79Å; E415-R445 IonicContact OE1-NH1 2.92Å; E415-R445 PolarHBondContact OE1-NH1 3.35Å; E415-R445 IonicContact OE1-NH2 3.33Å; E415-R445 PolarHBondContact OE1-NH2 3.33Å; E415-R445 IonicContact OE2-CZ 2.95Å; E415-R445 IonicContact OE2-NH2 2.88Å; E415-R445 PolarHBondContact OE2-NH2 2.9Å; T443-R445 PolarHBondContact O-N 2.89Å; T443-R445 VanDerWaalsContact O-N 3.11Å; R445-G448 PolarHBondContact O-N 2.83Å; R445-M449 WeakPolarHBondContact O-CG 3.11Å; R445-M449 PolarHBondContact O-N 2.93Å
446L94.3Very high93.7Very high14 Ų1428.8 Ų28.87%0.07318%0.183CC..Hα-helixtrans-64.4-44.2178.9-66.3175.4000110.5L413 E415 V418 L442 T443 G448 M449 L450L413-L446 WeakPolarHBondContact O-CD1 3.42Å; E415-L446 HydrophobicContact CG-CD2 3.89Å; V418-L446 HydrophobicContact CG2-CD2 3.84Å; L442-L446 HydrophobicContact CD2-CB 4.24Å; T443-L446 PolarHBondContact O-N 2.85Å; L446-G448 PolarHBondContact O-N 2.82Å; L446-M449 HydrophobicContact CD2-CE 3.6Å; L446-M449 PolarHBondContact O-N 3.43Å; L446-L450 WeakPolarHBondContact O-CG 3.4Å; L446-L450 PolarHBondContact O-N 3.14Å
447L95.3Very high93.7Very high2 Ų228.6 Ų28.61%0.0118%0.182CC..Hα-helixtrans-58-48.9175.2178.863.8000110.9T443 M449 L450 L451 L454 L470 L478T443-L447 WeakPolarHBondContact O-CB 3.43Å; T443-L447 PolarHBondContact O-N 3.33Å; L447-M449 PolarHBondContact O-N 3.37Å; L447-M449 VanDerWaalsContact O-N 3.15Å; L447-L450 CarbonylContact O-C 3.54Å; L447-L450 WeakPolarHBondContact O-CA 3.38Å; L447-L450 WeakPolarHBondContact O-CB 3.11Å; L447-L450 PolarHBondContact O-N 2.79Å; L447-L451 HydrophobicContact CD1-CD2 3.9Å; L447-L451 HydrophobicContact CD1-CG 4.26Å; L447-L451 HydrophobicContact CG-CD1 4.45Å; L447-L451 HydrophobicContact CG-CD2 4.11Å; L447-L451 HydrophobicContact CG-CG 4.09Å; L447-L451 WeakPolarHBondContact O-CG 3.38Å; L447-L451 PolarHBondContact O-N 2.98Å; L447-L454 HydrophobicContact CD1-CD1 4.47Å; L447-L470 HydrophobicContact CB-CD2 4.14Å; L447-L470 HydrophobicContact CD2-CD1 3.68Å; L447-L470 HydrophobicContact CD2-CD2 3.67Å; L447-L470 HydrophobicContact CD2-CG 4.35Å; L447-L478 HydrophobicContact CD2-CB 4.28Å
448G94.6Very high93.5Very high35 Ų3535.5 Ų35.536%0.36121%0.208SC..Hα-helixtrans-54.8-33.7177.800000113.6D444 R445 L446 P452D444-G448 PolarHBondContact O-N 3.04Å; R445-G448 PolarHBondContact O-N 2.83Å; L446-G448 PolarHBondContact O-N 2.82Å; G448-P452 WeakPolarHBondContact O-CD 3.49Å
449M94.6Very high93.5Very high60 Ų6035.7 Ų35.730%0.29621%0.21SC..Hα-helixtrans-73.7-27.7173.7-65.2-170-70.400113.6E415 V418 R422 R445 L446 L447E415-M449 HydrophobicContact CG-CE 4.47Å; V418-M449 HydrophobicContact CB-CE 4.47Å; V418-M449 HydrophobicContact CG1-CB 3.92Å; V418-M449 HydrophobicContact CG1-CE 4.17Å; V418-M449 HydrophobicContact CG1-SD 4.41Å; V418-M449 HydrophobicContact CG2-CE 4.13Å; R422-M449 VanDerWaalsContact CD-O 3.29Å; R422-M449 WeakPolarHBondContact CD-O 3.5Å; R422-M449 PolarHBondContact NE-O 3.17Å; R445-M449 WeakPolarHBondContact O-CG 3.11Å; R445-M449 PolarHBondContact O-N 2.93Å; L446-M449 HydrophobicContact CD2-CE 3.6Å; L446-M449 PolarHBondContact O-N 3.43Å; L447-M449 PolarHBondContact O-N 3.37Å; L447-M449 VanDerWaalsContact O-N 3.15Å
450L95.4Very high93.7Very high0 Ų035.3 Ų35.30%021%0.207CC..Hα-helixtrans-86.4-30.9179.5-65.8176.6000113.2V418 I421 R422 L442 L446 L447 P452 S453 L454V418-L450 HydrophobicContact CG1-CD2 4.16Å; I421-L450 HydrophobicContact CB-CD2 4.12Å; I421-L450 HydrophobicContact CG2-CD2 3.8Å; R422-L450 HydrophobicContact CG-CD2 3.8Å; L442-L450 HydrophobicContact CD2-CD1 3.69Å; L446-L450 WeakPolarHBondContact O-CG 3.4Å; L446-L450 PolarHBondContact O-N 3.14Å; L447-L450 CarbonylContact O-C 3.54Å; L447-L450 WeakPolarHBondContact O-CA 3.38Å; L447-L450 WeakPolarHBondContact O-CB 3.11Å; L447-L450 PolarHBondContact O-N 2.79Å; L450-P452 VanDerWaalsContact C-CD 3.44Å; L450-P452 VanDerWaalsContact C-N 3.35Å; L450-S453 PolarHBondContact O-N 2.66Å; L450-L454 HydrophobicContact CB-CD1 4.15Å; L450-L454 PolarHBondContact O-N 3.46Å
451L94.8Very high93.8Very high16 Ų1637.7 Ų37.78%0.08422%0.217CC..Hα-helixtrans-50.1-42.9-176.4-72.6177.6000114.2L447 S453 L454 G455 D477 L478 T481L447-L451 HydrophobicContact CD1-CD2 3.9Å; L447-L451 HydrophobicContact CD1-CG 4.26Å; L447-L451 HydrophobicContact CG-CD1 4.45Å; L447-L451 HydrophobicContact CG-CD2 4.11Å; L447-L451 HydrophobicContact CG-CG 4.09Å; L447-L451 WeakPolarHBondContact O-CG 3.38Å; L447-L451 PolarHBondContact O-N 2.98Å; L451-S453 VanDerWaalsContact C-N 3.3Å; L451-S453 PolarHBondContact O-N 3.13Å; L451-L454 HydrophobicContact CD2-CD1 4.48Å; L451-L454 PolarHBondContact O-N 3.14Å; L451-G455 PolarHBondContact O-N 3.36Å; L451-D477 HydrophobicContact CD1-CB 3.91Å; L451-L478 HydrophobicContact CD2-CD1 3.96Å; L451-T481 HydrophobicContact CB-CG2 4.31Å; L451-T481 HydrophobicContact CD2-CG2 4.08Å
452P94.2Very high94Very high86 Ų8636.1 Ų36.156%0.55820%0.201SC*.Hα-helixtrans-62.1-37.2177.9-2434.7000113.3G448 L450 G456G448-P452 WeakPolarHBondContact O-CD 3.49Å; L450-P452 VanDerWaalsContact C-CD 3.44Å; L450-P452 VanDerWaalsContact C-N 3.35Å; P452-G456 PolarHBondContact O-N 3.01Å
453S94.7Very high94.1Very high7 Ų736.1 Ų36.15%0.04920%0.2CC..Hα-helixtrans-75.7-39.8177.9-67.30000111.3R422 L450 L451 G456R422-S453 WeakPolarHBondContact CB-OG 3.41Å; L450-S453 PolarHBondContact O-N 2.66Å; L451-S453 VanDerWaalsContact C-N 3.3Å; L451-S453 PolarHBondContact O-N 3.13Å; S453-G456 PolarHBondContact O-N 2.93Å
454L93.9Very high94.2Very high2 Ų234.3 Ų34.31%0.0119%0.189CC..Hα-helixtrans-61.8-45.1174.2-73.7169000111.8L425 L435 L447 L450 L451 G456 C457 L463 M485L425-L454 HydrophobicContact CD1-CD2 3.71Å; L425-L454 HydrophobicContact CD1-CG 3.91Å; L425-L454 HydrophobicContact CD2-CD2 4.2Å; L435-L454 HydrophobicContact CD2-CD2 3.55Å; L447-L454 HydrophobicContact CD1-CD1 4.47Å; L450-L454 HydrophobicContact CB-CD1 4.15Å; L450-L454 PolarHBondContact O-N 3.46Å; L451-L454 HydrophobicContact CD2-CD1 4.48Å; L451-L454 PolarHBondContact O-N 3.14Å; L454-G456 PolarHBondContact O-N 3.15Å; L454-C457 WeakPolarHBondContact O-CB 3.33Å; L454-C457 PolarHBondContact O-N 3.2Å; L454-L463 HydrophobicContact CD2-CD1 4.48Å; L454-M485 VanDerWaalsContact O-CE 3.22Å; L454-M485 WeakPolarHBondContact O-CE 3.46Å
455G92.3Very high94.2Very high31 Ų3131.5 Ų31.532%0.3218%0.175SC..THydrogen-bonded Turntrans-63.5-18.8176.200000113.9L451L451-G455 PolarHBondContact O-N 3.36Å
456G91.7Very high94.1Very high38 Ų3824.3 Ų24.339%0.39215%0.148SC..THydrogen-bonded Turntrans-81.4-15173.500000114.4P452 S453 L454 W458P452-G456 PolarHBondContact O-N 3.01Å; S453-G456 PolarHBondContact O-N 2.93Å; L454-G456 PolarHBondContact O-N 3.15Å; G456-W458 PolarHBondContact O-N 3.5Å
457C93.7Very high94Very high1 Ų124.7 Ų24.71%0.00715%0.15CC..  trans-77.187.2177.7-62.20000110.3L454 L460 M485L454-C457 WeakPolarHBondContact O-CB 3.33Å; L454-C457 PolarHBondContact O-N 3.2Å; C457-L460 HydrophobicContact CB-CB 4.02Å; C457-L460 WeakPolarHBondContact O-CB 3.28Å; C457-L460 PolarHBondContact O-N 3.24Å; C457-M485 HydrophobicContact CB-CE 4.5Å
458W91.5Very high93.9Very high145 Ų14524.7 Ų24.755%0.54915%0.15SC..THydrogen-bonded Turntrans-77.4-20.9-173.958.8-91.1000113.6S429 G456 L460 P486 C487S429-W458 PolarHBondContact O-N 2.79Å; G456-W458 PolarHBondContact O-N 3.5Å; W458-L460 VanDerWaalsContact C-N 3.34Å; W458-P486 HydrophobicContact CB-CG 4.35Å; W458-C487 WeakPolarHBondContact O-CB 3.4Å; W458-C487 PolarHBondContact O-SG 3.4Å
459A93.6Very high93.8Very high15 Ų1523.3 Ų23.312%0.12414%0.135CC..THydrogen-bonded Turntrans-84.3-6.9175.700000113.7S429 S430 L432 K461S429-A459 PolarHBondContact O-N 3.28Å; S430-A459 WeakPolarHBondContact O-CB 3.44Å; L432-A459 CarbonylContact O-C 3.37Å; A459-K461 PolarHBondContact O-N 3.37Å
460L95.4Very high93.8Very high0 Ų020.6 Ų20.60%012%0.121CC..  trans-70.4122.2-171.8-161.975.3000111.1L432 Q433 L435 C457 W458 L463 M485 C487 L488L432-L460 HydrophobicContact CD2-CD1 4.2Å; L432-L460 HydrophobicContact CG-CD1 4Å; L432-L460 VanDerWaalsContact O-CA 3.26Å; L432-L460 WeakPolarHBondContact O-CA 3.49Å; L432-L460 PolarHBondContact O-N 3.41Å; L432-L460 VanDerWaalsContact O-N 3.17Å; Q433-L460 WeakPolarHBondContact O-CD1 3.1Å; L435-L460 HydrophobicContact CB-CD1 3.75Å; L435-L460 HydrophobicContact CB-CD2 4.43Å; C457-L460 HydrophobicContact CB-CB 4.02Å; C457-L460 WeakPolarHBondContact O-CB 3.28Å; C457-L460 PolarHBondContact O-N 3.24Å; W458-L460 VanDerWaalsContact C-N 3.34Å; L460-L463 HydrophobicContact CD2-CB 4Å; L460-L463 HydrophobicContact CD2-CD1 4.34Å; L460-L463 HydrophobicContact CD2-CD2 4.5Å; L460-M485 HydrophobicContact CB-CE 3.88Å; L460-M485 HydrophobicContact CD2-CE 3.53Å; L460-M485 HydrophobicContact CG-CE 4.29Å; L460-C487 CarbonylContact O-C 3.37Å; L460-L488 HydrophobicContact CD2-CD1 4.17Å; L460-L488 HydrophobicContact CG-CD1 4.27Å; L460-L488 WeakPolarHBondContact O-CA 3.48Å; L460-L488 PolarHBondContact O-N 3.32Å
461K94.4Very high93.7Very high50 Ų5021.4 Ų21.422%0.21713%0.127CC..  trans-101.9-40-179.6-71178-179.2168.50112.5Q433 A459 C487 R489 L490 V557 D558Q433-K461 HydrophobicContact CB-CD 4.3Å; Q433-K461 WeakPolarHBondContact O-CA 3.44Å; Q433-K461 PolarHBondContact O-N 3.39Å; A459-K461 PolarHBondContact O-N 3.37Å; K461-C487 WeakPolarHBondContact CA-O 3.42Å; K461-R489 PolarHBondContact O-N 3.28Å; K461-L490 PolarHBondContact O-N 2.71Å; K461-V557 HydrophobicContact CB-CB 4.49Å; K461-V557 HydrophobicContact CB-CG1 3.76Å; K461-V557 HydrophobicContact CD-CG1 4.48Å; K461-V557 HydrophobicContact CG-CG1 4.42Å; K461-D558 WeakPolarHBondContact CD-OD1 3.48Å; K461-D558 IonicContact NZ-OD1 3.56Å; K461-D558 PolarHBondContact NZ-OD1 2.96Å
462S94.8Very high93.5Very high1 Ų124.4 Ų24.41%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-127.8131.7-179-171.10000111.4Q433 H434 L435 L490 F552Q433-S462 PolarHBondContact O-N 3.25Å; H434-S462 WeakPolarHBondContact ND1-CB 3.44Å; L435-S462 PolarHBondContact N-O 3.29Å; S462-L490 WeakPolarHBondContact CA-O 3.35Å; S462-F552 WeakPolarHBondContact OG-CZ 3.25Å
463L95.4Very high93.4Very high1 Ų123.1 Ų23.11%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-128.7126175177.658.3000110L435 L454 L460 L465 L478 L488 L490 L491 L492L435-L463 HydrophobicContact CB-CD1 4.11Å; L435-L463 HydrophobicContact CD2-CD1 3.92Å; L435-L463 HydrophobicContact CG-CD1 4.04Å; L435-L463 CarbonylContact O-C 3.58Å; L435-L463 WeakPolarHBondContact O-CA 3.41Å; L454-L463 HydrophobicContact CD2-CD1 4.48Å; L460-L463 HydrophobicContact CD2-CB 4Å; L460-L463 HydrophobicContact CD2-CD1 4.34Å; L460-L463 HydrophobicContact CD2-CD2 4.5Å; L463-L465 HydrophobicContact CD1-CD1 4.42Å; L463-L465 HydrophobicContact CD1-CG 4.18Å; L463-L465 HydrophobicContact CD2-CD1 3.97Å; L463-L465 HydrophobicContact CG-CD1 4.1Å; L463-L465 HydrophobicContact CG-CG 4.16Å; L463-L478 HydrophobicContact CD2-CD1 4.39Å; L463-L488 HydrophobicContact CB-CD1 3.85Å; L463-L490 PolarHBondContact N-O 3.16Å; L463-L491 HydrophobicContact CB-CD1 3.87Å; L463-L491 HydrophobicContact CD2-CD1 3.86Å; L463-L491 HydrophobicContact CG-CD1 3.79Å; L463-L491 WeakPolarHBondContact O-CA 3.4Å; L463-L492 PolarHBondContact O-N 2.83Å
464A95.4Very high93.3Very high1 Ų122.9 Ų22.91%0.00813%0.133CC..EExtended strand (participates in β ladder)trans-117.5124.4176.300000111.6L435 L437 L492 F552L435-A464 PolarHBondContact O-N 2.79Å; L437-A464 PolarHBondContact N-O 3.18Å; A464-L492 HydrophobicContact CB-CB 4.23Å; A464-L492 HydrophobicContact CB-CD2 4.05Å; A464-F552 HydrophobicContact CB-CE1 3.83Å; A464-F552 HydrophobicContact CB-CZ 3.85Å
465L95.1Very high93.3Very high1 Ų122.8 Ų22.81%0.00513%0.133CC..  trans-133.519-177.8-69.2169.8000112.1L437 L442 L463 N468 L478 L492 P494L437-L465 HydrophobicContact CB-CD2 3.85Å; L437-L465 HydrophobicContact CD1-CD2 4.43Å; L442-L465 HydrophobicContact CD1-CD2 3.74Å; L463-L465 HydrophobicContact CD1-CD1 4.42Å; L463-L465 HydrophobicContact CD1-CG 4.18Å; L463-L465 HydrophobicContact CD2-CD1 3.97Å; L463-L465 HydrophobicContact CG-CD1 4.1Å; L463-L465 HydrophobicContact CG-CG 4.16Å; L465-N468 PolarHBondContact O-ND2 3.19Å; L465-L478 HydrophobicContact CD1-CD1 3.62Å; L465-L478 HydrophobicContact CD1-CD2 3.61Å; L465-L478 HydrophobicContact CD1-CG 4.27Å; L465-L492 PolarHBondContact N-O 3.37Å; L465-P494 VanDerWaalsContact O-CD 3.3Å; L465-P494 WeakPolarHBondContact O-CD 3.5Å; L465-P494 WeakPolarHBondContact O-CG 3.43Å
466A91.8Very high93.3Very high4 Ų422 Ų223%0.03312%0.122CC..THydrogen-bonded Turntrans-56.4159.1179.600000112.3S438 G439 N468 L492 L549S438-A466 CarbonylContact C-O 3.55Å; S438-A466 WeakPolarHBondContact CA-O 3.42Å; S438-A466 VanDerWaalsContact CB-O 3.29Å; S438-A466 WeakPolarHBondContact CB-O 3.36Å; S438-A466 PolarHBondContact OG-N 2.98Å; G439-A466 PolarHBondContact N-O 3.44Å; A466-N468 PolarHBondContact O-N 3.32Å; A466-N468 VanDerWaalsContact O-N 3.14Å; A466-N468 PolarHBondContact O-ND2 2.99Å; A466-L492 HydrophobicContact CB-CD1 4.42Å; A466-L492 HydrophobicContact CB-CD2 3.68Å; A466-L492 HydrophobicContact CB-CG 3.88Å; A466-L549 HydrophobicContact CB-CD1 3.88Å
467L91.1Very high93.5Very high23 Ų2323.4 Ų23.412%0.1212%0.12CC..THydrogen-bonded Turntrans5728.3176.3-51.7178000114.5G439 L513 L514 L549G439-L467 WeakPolarHBondContact CA-O 3.43Å; L467-L513 HydrophobicContact CD2-CB 4.33Å; L467-L513 WeakPolarHBondContact O-CD1 3.44Å; L467-L514 HydrophobicContact CD1-CB 4.46Å; L467-L514 HydrophobicContact CD2-CB 3.87Å; L467-L514 HydrophobicContact CD2-CD1 4.07Å; L467-L549 HydrophobicContact CD1-CD2 4.05Å; L467-L549 HydrophobicContact CG-CD2 4.32Å
468N94.2Very high93.5Very high1 Ų123.5 Ų23.51%0.00512%0.121CC..  trans-104.5142.6170.1-74-70.8000110.7L437 C440 G441 L442 L465 A466 L470 P494L437-N468 PolarHBondContact O-ND2 3.45Å; C440-N468 PolarHBondContact N-OD1 3.5Å; G441-N468 PolarHBondContact N-OD1 3.22Å; G441-N468 VanDerWaalsContact N-OD1 3.12Å; L442-N468 HydrophobicContact CB-CB 4.06Å; L442-N468 WeakPolarHBondContact CB-OD1 3.31Å; L442-N468 PolarHBondContact N-OD1 3.23Å; L465-N468 PolarHBondContact O-ND2 3.19Å; A466-N468 PolarHBondContact O-N 3.32Å; A466-N468 VanDerWaalsContact O-N 3.14Å; A466-N468 PolarHBondContact O-ND2 2.99Å; N468-L470 VanDerWaalsContact C-N 3.29Å; N468-L470 HydrophobicContact CB-CG 4.27Å; N468-L470 PolarHBondContact O-N 3.34Å; N468-P494 HydrophobicContact CB-CG 4.41Å; N468-P494 WeakPolarHBondContact O-CB 3.31Å
469P92.8Very high93.6Very high7 Ų716.6 Ų16.65%0.04510%0.095CC..  trans-76.376.8-179.732.7-36.5000111.5L442 T443 L497 P508 L513L442-P469 WeakPolarHBondContact O-CD 3.5Å; T443-P469 HydrophobicContact CG2-CG 4.31Å; P469-L497 HydrophobicContact CB-CD1 4.23Å; P469-L497 HydrophobicContact CB-CD2 4.03Å; P469-L497 HydrophobicContact CB-CG 4.49Å; P469-P508 HydrophobicContact CB-CG 4.02Å; P469-L513 HydrophobicContact CB-CD1 4.36Å
470L93.9Very high93.5Very high2 Ų222 Ų221%0.0111%0.112CC..  trans-104.1137.7177.9-62.1-176.7000111.6L442 D444 L447 N468 L475 P494 A496 L497L442-L470 VanDerWaalsContact O-CD2 3.23Å; L442-L470 WeakPolarHBondContact O-CD2 3.46Å; D444-L470 WeakPolarHBondContact OD1-CA 3.34Å; L447-L470 HydrophobicContact CB-CD2 4.14Å; L447-L470 HydrophobicContact CD2-CD1 3.68Å; L447-L470 HydrophobicContact CD2-CD2 3.67Å; L447-L470 HydrophobicContact CD2-CG 4.35Å; N468-L470 VanDerWaalsContact C-N 3.29Å; N468-L470 HydrophobicContact CB-CG 4.27Å; N468-L470 PolarHBondContact O-N 3.34Å; L470-L475 HydrophobicContact CB-CD2 4.26Å; L470-L475 HydrophobicContact CB-CG 4.22Å; L470-L475 HydrophobicContact CD1-CD2 3.96Å; L470-P494 HydrophobicContact CB-CG 4.12Å; L470-P494 HydrophobicContact CD1-CG 3.61Å; L470-P494 HydrophobicContact CG-CG 3.98Å; L470-A496 WeakPolarHBondContact O-CA 3.49Å; L470-L497 PolarHBondContact O-N 3.19Å
471S93Very high93.4Very high18 Ų1823.1 Ų23.113%0.12612%0.119CC..  trans-78.8169169.681.80000111.3D444 A473 G474 L475 E498D444-S471 PolarHBondContact OD1-N 3.25Å; D444-S471 WeakPolarHBondContact OD2-CB 3.45Å; D444-S471 PolarHBondContact OD2-OG 2.87Å; S471-A473 PolarHBondContact O-N 3.38Å; S471-A473 WeakPolarHBondContact OG-CB 3.39Å; S471-A473 PolarHBondContact OG-N 3.07Å; S471-A473 VanDerWaalsContact OG-N 3.1Å; S471-G474 PolarHBondContact O-N 2.89Å; S471-G474 PolarHBondContact OG-N 3.13Å; S471-L475 WeakPolarHBondContact O-CG 3.45Å; S471-L475 PolarHBondContact O-N 3.2Å; S471-E498 WeakPolarHBondContact CA-OE2 3.43Å; S471-E498 WeakPolarHBondContact CB-OE1 3.42Å
472R91.3Very high93.3Very high79 Ų7920.8 Ų20.830%0.29811%0.109SC..Hα-helixtrans-56-34.2170-70176.4-174.3177.53.7112.6C476 A496 E498 D499 T527R472-C476 PolarHBondContact O-N 3.09Å; R472-C476 PolarHBondContact O-SG 3.03Å; R472-A496 HydrophobicContact CG-CB 3.58Å; R472-E498 HydrophobicContact CG-CB 4.5Å; R472-E498 PolarHBondContact N-OE1 3.15Å; R472-E498 VanDerWaalsContact N-OE1 3.1Å; R472-E498 PolarHBondContact N-OE2 3.32Å; R472-D499 IonicContact CZ-OD1 3.03Å; R472-D499 IonicContact NE-OD1 2.84Å; R472-D499 PolarHBondContact NE-OD1 2.91Å; R472-D499 IonicContact NH2-OD1 2.93Å; R472-D499 PolarHBondContact NH2-OD1 3.36Å; R472-T527 HydrophobicContact CG-CG2 4.27Å; R472-T527 PolarHBondContact NE-OG1 3.2Å
473A91.4Very high93.1Very high58 Ų5821.4 Ų21.448%0.47911%0.114SC..Hα-helixtrans-68.6-46.3177.700000111.3S471 L475 C476 D477S471-A473 PolarHBondContact O-N 3.38Å; S471-A473 WeakPolarHBondContact OG-CB 3.39Å; S471-A473 PolarHBondContact OG-N 3.07Å; S471-A473 VanDerWaalsContact OG-N 3.1Å; A473-L475 VanDerWaalsContact C-N 3.31Å; A473-L475 PolarHBondContact O-N 2.85Å; A473-C476 WeakPolarHBondContact O-CB 3.14Å; A473-C476 PolarHBondContact O-N 3.44Å; A473-C476 VanDerWaalsContact O-N 3.13Å; A473-D477 PolarHBondContact O-N 3Å
474G93.6Very high92.9Very high3 Ų331.5 Ų31.53%0.03115%0.152CC..Hα-helixtrans-60-39.8175.200000112.7S471 D477 L478S471-G474 PolarHBondContact O-N 2.89Å; S471-G474 PolarHBondContact OG-N 3.13Å; G474-D477 PolarHBondContact O-N 3.17Å; G474-L478 PolarHBondContact O-N 2.9Å
475L93.6Very high92.8Very high0 Ų031.6 Ų31.60%015%0.152CC..Hα-helixtrans-64-41173.4-69.8174.2000112.4L470 S471 A473 D477 L478 M479 Y493 P494 A496 T527 L531L470-L475 HydrophobicContact CB-CD2 4.26Å; L470-L475 HydrophobicContact CB-CG 4.22Å; L470-L475 HydrophobicContact CD1-CD2 3.96Å; S471-L475 WeakPolarHBondContact O-CG 3.45Å; S471-L475 PolarHBondContact O-N 3.2Å; A473-L475 VanDerWaalsContact C-N 3.31Å; A473-L475 PolarHBondContact O-N 2.85Å; L475-D477 VanDerWaalsContact C-N 3.31Å; L475-D477 PolarHBondContact O-N 3.29Å; L475-L478 HydrophobicContact CD2-CD2 4.46Å; L475-L478 WeakPolarHBondContact O-CB 3.41Å; L475-L478 PolarHBondContact O-N 3.24Å; L475-M479 VanDerWaalsContact O-CG 3.32Å; L475-M479 WeakPolarHBondContact O-CG 3.45Å; L475-M479 PolarHBondContact O-N 3.5Å; L475-Y493 HydrophobicContact CD2-CD2 4.26Å; L475-P494 HydrophobicContact CD2-CG 4.03Å; L475-A496 HydrophobicContact CD1-CB 3.68Å; L475-T527 HydrophobicContact CD1-CG2 4.26Å; L475-L531 HydrophobicContact CB-CD2 3.77Å; L475-L531 HydrophobicContact CD1-CD1 4.48Å
476C92.6Very high92.4Very high15 Ų1535.6 Ų35.610%0.10118%0.179CC..Hα-helixtrans-62.4-39.6175-70.20000111.9R472 A473 M479 R480R472-C476 PolarHBondContact O-N 3.09Å; R472-C476 PolarHBondContact O-SG 3.03Å; A473-C476 WeakPolarHBondContact O-CB 3.14Å; A473-C476 PolarHBondContact O-N 3.44Å; A473-C476 VanDerWaalsContact O-N 3.13Å; C476-M479 PolarHBondContact O-N 2.89Å; C476-R480 WeakPolarHBondContact O-CG 3.36Å; C476-R480 PolarHBondContact O-N 2.94Å
477D94.3Very high92.4Very high66 Ų6638 Ų3835%0.35319%0.194SC..Hα-helixtrans-65.5-39.5176.2-68.6-4.1000111.8L451 A473 G474 L475 R480 T481L451-D477 HydrophobicContact CD1-CB 3.91Å; A473-D477 PolarHBondContact O-N 3Å; G474-D477 PolarHBondContact O-N 3.17Å; L475-D477 VanDerWaalsContact C-N 3.31Å; L475-D477 PolarHBondContact O-N 3.29Å; D477-R480 IonicContact OD1-CZ 3.26Å; D477-R480 IonicContact OD1-NH1 3.14Å; D477-R480 PolarHBondContact OD1-NH1 3.05Å; D477-R480 IonicContact OD1-NH2 2.78Å; D477-R480 PolarHBondContact OD1-NH2 2.96Å; D477-T481 PolarHBondContact O-N 3.25Å; D477-T481 VanDerWaalsContact O-N 3.11Å; D477-T481 PolarHBondContact O-OG1 3.03Å
478L94.7Very high92.6Very high3 Ų336.9 Ų36.92%0.01619%0.188CC..Hα-helixtrans-59.9-49.6171.2177.462.9000111.4L447 L451 L463 L465 G474 L475 R480 T481 A482 L491L447-L478 HydrophobicContact CD2-CB 4.28Å; L451-L478 HydrophobicContact CD2-CD1 3.96Å; L463-L478 HydrophobicContact CD2-CD1 4.39Å; L465-L478 HydrophobicContact CD1-CD1 3.62Å; L465-L478 HydrophobicContact CD1-CD2 3.61Å; L465-L478 HydrophobicContact CD1-CG 4.27Å; G474-L478 PolarHBondContact O-N 2.9Å; L475-L478 HydrophobicContact CD2-CD2 4.46Å; L475-L478 WeakPolarHBondContact O-CB 3.41Å; L475-L478 PolarHBondContact O-N 3.24Å; L478-R480 VanDerWaalsContact C-N 3.35Å; L478-R480 PolarHBondContact O-N 3.27Å; L478-T481 WeakPolarHBondContact O-CB 3.33Å; L478-T481 PolarHBondContact O-N 3.39Å; L478-T481 VanDerWaalsContact O-N 3.08Å; L478-A482 WeakPolarHBondContact O-CB 3.34Å; L478-A482 PolarHBondContact O-N 3.35Å; L478-L491 HydrophobicContact CD2-CD1 4.44Å; L478-L491 HydrophobicContact CD2-CD2 4.38Å; L478-L491 HydrophobicContact CG-CD2 4.28Å
479M93.1Very high92.4Very high0 Ų043.1 Ų43.10%021%0.212CC..Hα-helixtrans-60.9-43.1179.7-67.1-54.9137.200111.8L475 C476 T481 A482 A483 L491 Y493 L531 V534 M535 L545L475-M479 VanDerWaalsContact O-CG 3.32Å; L475-M479 WeakPolarHBondContact O-CG 3.45Å; L475-M479 PolarHBondContact O-N 3.5Å; C476-M479 PolarHBondContact O-N 2.89Å; M479-T481 PolarHBondContact O-N 2.89Å; M479-A482 PolarHBondContact O-N 3.25Å; M479-A483 VanDerWaalsContact O-CB 3.29Å; M479-A483 WeakPolarHBondContact O-CB 3.43Å; M479-A483 PolarHBondContact O-N 2.96Å; M479-L491 HydrophobicContact CE-CD2 3.51Å; M479-L491 HydrophobicContact CE-CG 4.35Å; M479-L491 HydrophobicContact SD-CD2 3.84Å; M479-Y493 HydrophobicContact CE-CD1 4.15Å; M479-Y493 HydrophobicContact CE-CG 3.99Å; M479-L531 HydrophobicContact CG-CB 4.25Å; M479-L531 HydrophobicContact CG-CD2 3.58Å; M479-L531 HydrophobicContact CG-CG 4.4Å; M479-V534 HydrophobicContact CB-CG1 3.89Å; M479-M535 HydrophobicContact CB-SD 4.28Å; M479-M535 HydrophobicContact SD-SD 4.34Å; M479-L545 HydrophobicContact CE-CD2 4.27Å; M479-L545 HydrophobicContact SD-CD1 3.59Å; M479-L545 VanDerWaalsContact SD-CD1 3.59Å; M479-L545 HydrophobicContact SD-CD2 3.68Å; M479-L545 HydrophobicContact SD-CG 4.3Å
480R92.5Very high92.4Very high129 Ų12943.2 Ų43.249%0.48721%0.212SC..Hα-helixtrans-61.3-33175.6-73.3-171.1-117.3100.14.9112.5C476 D477 L478 R484 V534C476-R480 WeakPolarHBondContact O-CG 3.36Å; C476-R480 PolarHBondContact O-N 2.94Å; D477-R480 IonicContact OD1-CZ 3.26Å; D477-R480 IonicContact OD1-NH1 3.14Å; D477-R480 PolarHBondContact OD1-NH1 3.05Å; D477-R480 IonicContact OD1-NH2 2.78Å; D477-R480 PolarHBondContact OD1-NH2 2.96Å; L478-R480 VanDerWaalsContact C-N 3.35Å; L478-R480 PolarHBondContact O-N 3.27Å; R480-R484 WeakPolarHBondContact O-CG 3.49Å; R480-V534 HydrophobicContact CG-CG1 3.7Å
481T93.3Very high92.4Very high24 Ų2443.1 Ų43.115%0.14721%0.211CC..Hα-helixtrans-75.5-48.2175.3-55.60000111.3L451 D477 L478 M479 A483 R484 M485L451-T481 HydrophobicContact CB-CG2 4.31Å; L451-T481 HydrophobicContact CD2-CG2 4.08Å; D477-T481 PolarHBondContact O-N 3.25Å; D477-T481 VanDerWaalsContact O-N 3.11Å; D477-T481 PolarHBondContact O-OG1 3.03Å; L478-T481 WeakPolarHBondContact O-CB 3.33Å; L478-T481 PolarHBondContact O-N 3.39Å; L478-T481 VanDerWaalsContact O-N 3.08Å; M479-T481 PolarHBondContact O-N 2.89Å; T481-A483 VanDerWaalsContact C-N 3.27Å; T481-A483 PolarHBondContact O-N 3.04Å; T481-R484 WeakPolarHBondContact O-CA 3.16Å; T481-R484 WeakPolarHBondContact O-CB 3.35Å; T481-R484 PolarHBondContact O-N 3.04Å; T481-M485 WeakPolarHBondContact O-CG 3.36Å; T481-M485 PolarHBondContact O-N 3.42Å
482A92.2Very high92.4Very high1 Ų142.3 Ų42.31%0.00821%0.206CC..Hα-helixtrans-59.8-35.4178.700000112.8L478 M479 R484 M485 L488 L491 R540 L543L478-A482 WeakPolarHBondContact O-CB 3.34Å; L478-A482 PolarHBondContact O-N 3.35Å; M479-A482 PolarHBondContact O-N 3.25Å; A482-R484 PolarHBondContact O-N 3.28Å; A482-M485 PolarHBondContact O-N 3.16Å; A482-M485 VanDerWaalsContact O-N 3.16Å; A482-L488 HydrophobicContact CB-CD2 3.7Å; A482-L491 HydrophobicContact CB-CD2 3.73Å; A482-R540 PolarHBondContact O-NH2 3.27Å; A482-R540 VanDerWaalsContact O-NH2 3.13Å; A482-L543 HydrophobicContact CB-CD2 4.08Å
483A90.8Very high92.4Very high14 Ų1439.5 Ų39.512%0.11620%0.195CC..Hα-helixtrans-59.7-32.1173.100000112.7M479 T481 M535 S538 R540M479-A483 VanDerWaalsContact O-CB 3.29Å; M479-A483 WeakPolarHBondContact O-CB 3.43Å; M479-A483 PolarHBondContact O-N 2.96Å; T481-A483 VanDerWaalsContact C-N 3.27Å; T481-A483 PolarHBondContact O-N 3.04Å; A483-M535 HydrophobicContact CB-CE 4.36Å; A483-M535 HydrophobicContact CB-SD 4.34Å; A483-S538 WeakPolarHBondContact CB-OG 3.14Å; A483-R540 PolarHBondContact O-NE 3.05Å; A483-R540 VanDerWaalsContact O-NE 3.12Å
484R91Very high92.5Very high212 Ų21236.9 Ų36.980%0.817%0.174SC*.THydrogen-bonded Turntrans-85.6-7.6179.5-63.2170.462-175-0.6113.5R480 T481 A482 P486R480-R484 WeakPolarHBondContact O-CG 3.49Å; T481-R484 WeakPolarHBondContact O-CA 3.16Å; T481-R484 WeakPolarHBondContact O-CB 3.35Å; T481-R484 PolarHBondContact O-N 3.04Å; A482-R484 PolarHBondContact O-N 3.28Å; R484-P486 WeakPolarHBondContact O-CD 3.48Å
485M91.9Very high92.3Very high3 Ų339 Ų392%0.01518%0.184CC..  trans-85.4113.4180-64.2177.369.600109.7L454 C457 L460 T481 A482 C487 L488 R540L454-M485 VanDerWaalsContact O-CE 3.22Å; L454-M485 WeakPolarHBondContact O-CE 3.46Å; C457-M485 HydrophobicContact CB-CE 4.5Å; L460-M485 HydrophobicContact CB-CE 3.88Å; L460-M485 HydrophobicContact CD2-CE 3.53Å; L460-M485 HydrophobicContact CG-CE 4.29Å; T481-M485 WeakPolarHBondContact O-CG 3.36Å; T481-M485 PolarHBondContact O-N 3.42Å; A482-M485 PolarHBondContact O-N 3.16Å; A482-M485 VanDerWaalsContact O-N 3.16Å; M485-C487 PolarHBondContact O-N 3.39Å; M485-L488 HydrophobicContact CB-CB 3.79Å; M485-L488 HydrophobicContact CB-CD2 4.47Å; M485-L488 HydrophobicContact SD-CD2 4.1Å; M485-R540 VanDerWaalsContact O-CZ 3.27Å; M485-R540 PolarHBondContact O-NH2 2.84Å
486P87.8Confident92.2Very high86 Ų8639 Ų3956%0.55818%0.184SC*.THydrogen-bonded Turntrans-70.9-31.3-165.427-35.4000114.2W458 R484W458-P486 HydrophobicContact CB-CG 4.35Å; R484-P486 WeakPolarHBondContact O-CD 3.48Å
487C92Very high92Very high53 Ų5340.9 Ų40.936%0.35819%0.193SC..THydrogen-bonded Turntrans-100.9-5.3-176.7-650000113.9W458 L460 K461 M485 R489W458-C487 WeakPolarHBondContact O-CB 3.4Å; W458-C487 PolarHBondContact O-SG 3.4Å; L460-C487 CarbonylContact O-C 3.37Å; K461-C487 WeakPolarHBondContact CA-O 3.42Å; M485-C487 PolarHBondContact O-N 3.39Å; C487-R489 WeakPolarHBondContact O-CG 3.29Å; C487-R489 PolarHBondContact O-N 2.97Å
488L93.9Very high91.8Very high0 Ų041.5 Ų41.50%019%0.193CC..  trans-70.7121.7-177.6-170.476.5000108.9L460 L463 A482 M485 L491 R540 L543L460-L488 HydrophobicContact CD2-CD1 4.17Å; L460-L488 HydrophobicContact CG-CD1 4.27Å; L460-L488 WeakPolarHBondContact O-CA 3.48Å; L460-L488 PolarHBondContact O-N 3.32Å; L463-L488 HydrophobicContact CB-CD1 3.85Å; A482-L488 HydrophobicContact CB-CD2 3.7Å; M485-L488 HydrophobicContact CB-CB 3.79Å; M485-L488 HydrophobicContact CB-CD2 4.47Å; M485-L488 HydrophobicContact SD-CD2 4.1Å; L488-L491 HydrophobicContact CD2-CB 4.42Å; L488-R540 PolarHBondContact O-NH1 3.09Å; L488-R540 VanDerWaalsContact O-NH1 3.16Å; L488-R540 PolarHBondContact O-NH2 3.43Å; L488-L543 HydrophobicContact CB-CD1 4.42Å; L488-L543 HydrophobicContact CD2-CD1 3.89Å; L488-L543 HydrophobicContact CD2-CD2 4.31Å; L488-L543 HydrophobicContact CG-CD1 3.79Å
489R91.4Very high91.5Very high132 Ų13242.1 Ų42.150%0.49820%0.197SC..  trans-119.5-17.4178.3-41.4-174170165-9.4113.4K461 C487 L543 V544 V557K461-R489 PolarHBondContact O-N 3.28Å; C487-R489 WeakPolarHBondContact O-CG 3.29Å; C487-R489 PolarHBondContact O-N 2.97Å; R489-L543 VanDerWaalsContact C-CD1 3.47Å; R489-V544 PolarHBondContact O-N 2.77Å; R489-V557 HydrophobicContact CB-CG1 3.51Å; R489-V557 HydrophobicContact CG-CG1 3.7Å; R489-V557 PolarHBondContact NH1-O 2.6Å
490L91.7Very high91.2Very high9 Ų942.8 Ų42.85%0.04720%0.2CC..EExtended strand (participates in β ladder)trans-135.3127.6177.8-175.665.4000110.6K461 S462 L463 V544 T546 F552 D553 V557K461-L490 PolarHBondContact O-N 2.71Å; S462-L490 WeakPolarHBondContact CA-O 3.35Å; L463-L490 PolarHBondContact N-O 3.16Å; L490-V544 WeakPolarHBondContact CA-O 3.43Å; L490-V544 HydrophobicContact CD1-CB 3.93Å; L490-V544 HydrophobicContact CD1-CG1 3.89Å; L490-T546 HydrophobicContact CD1-CG2 4.31Å; L490-F552 HydrophobicContact CD1-CE2 4.29Å; L490-F552 HydrophobicContact CD2-CD2 3.89Å; L490-F552 HydrophobicContact CD2-CE2 3.39Å; L490-F552 HydrophobicContact CD2-CZ 4Å; L490-F552 HydrophobicContact CG-CD2 4.23Å; L490-F552 HydrophobicContact CG-CE2 3.59Å; L490-F552 HydrophobicContact CG-CZ 4.42Å; L490-D553 WeakPolarHBondContact CD2-O 3.42Å; L490-V557 HydrophobicContact CB-CG2 3.4Å; L490-V557 VanDerWaalsContact CB-CG2 3.4Å; L490-V557 HydrophobicContact CD2-CG2 3.75Å; L490-V557 HydrophobicContact CG-CG2 4.2Å
491L93.5Very high91Very high0 Ų040.6 Ų40.60%020%0.195CC..EExtended strand (participates in β ladder)trans-130.1116.1175.2175.159.6000109.9L463 L478 M479 A482 L488 L543 V544 L545 T546L463-L491 HydrophobicContact CB-CD1 3.87Å; L463-L491 HydrophobicContact CD2-CD1 3.86Å; L463-L491 HydrophobicContact CG-CD1 3.79Å; L463-L491 WeakPolarHBondContact O-CA 3.4Å; L478-L491 HydrophobicContact CD2-CD1 4.44Å; L478-L491 HydrophobicContact CD2-CD2 4.38Å; L478-L491 HydrophobicContact CG-CD2 4.28Å; M479-L491 HydrophobicContact CE-CD2 3.51Å; M479-L491 HydrophobicContact CE-CG 4.35Å; M479-L491 HydrophobicContact SD-CD2 3.84Å; A482-L491 HydrophobicContact CB-CD2 3.73Å; L488-L491 HydrophobicContact CD2-CB 4.42Å; L491-L543 HydrophobicContact CB-CD1 4.18Å; L491-V544 PolarHBondContact N-O 3.05Å; L491-L545 HydrophobicContact CB-CD2 3.8Å; L491-L545 HydrophobicContact CD2-CD2 3.83Å; L491-L545 HydrophobicContact CG-CD2 4.16Å; L491-T546 PolarHBondContact O-N 3.03Å
492L93.4Very high90.5Very high1 Ų145.1 Ų45.11%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-91.5106.4167.5173.470.7000109.3L463 A464 L465 A466 T546 L549 F552L463-L492 PolarHBondContact O-N 2.83Å; A464-L492 HydrophobicContact CB-CB 4.23Å; A464-L492 HydrophobicContact CB-CD2 4.05Å; L465-L492 PolarHBondContact N-O 3.37Å; A466-L492 HydrophobicContact CB-CD1 4.42Å; A466-L492 HydrophobicContact CB-CD2 3.68Å; A466-L492 HydrophobicContact CB-CG 3.88Å; L492-T546 VanDerWaalsContact CA-O 3.27Å; L492-T546 WeakPolarHBondContact CA-O 3.5Å; L492-T546 HydrophobicContact CB-CG2 4.43Å; L492-T546 HydrophobicContact CD1-CG2 4.07Å; L492-T546 WeakPolarHBondContact CD1-O 3.35Å; L492-L549 HydrophobicContact CD2-CD1 3.8Å; L492-F552 HydrophobicContact CB-CD2 3.47Å; L492-F552 VanDerWaalsContact CB-CD2 3.47Å; L492-F552 HydrophobicContact CB-CE1 4.46Å; L492-F552 HydrophobicContact CB-CE2 3.31Å; L492-F552 HydrophobicContact CB-CG 4.09Å; L492-F552 HydrophobicContact CB-CZ 3.87Å; L492-F552 HydrophobicContact CD1-CB 4.39Å; L492-F552 HydrophobicContact CD1-CD2 4.29Å; L492-F552 HydrophobicContact CD1-CG 4.47Å; L492-F552 HydrophobicContact CD2-CB 4.04Å; L492-F552 HydrophobicContact CD2-CD1 3.83Å; L492-F552 HydrophobicContact CD2-CD2 4Å; L492-F552 HydrophobicContact CD2-CE1 4.2Å; L492-F552 HydrophobicContact CD2-CE2 4.32Å; L492-F552 HydrophobicContact CD2-CG 3.7Å; L492-F552 HydrophobicContact CD2-CZ 4.42Å; L492-F552 HydrophobicContact CG-CD2 4.13Å; L492-F552 HydrophobicContact CG-CE2 4.36Å; L492-F552 HydrophobicContact CG-CG 4.31Å
493Y92.4Very high90Very high20 Ų2048.1 Ų48.18%0.07826%0.255CS..PPolyproline II helixtrans-99.4148.9178.968.4-86.7000110.7L475 M479 L531 L545 T546 C547L475-Y493 HydrophobicContact CD2-CD2 4.26Å; M479-Y493 HydrophobicContact CE-CD1 4.15Å; M479-Y493 HydrophobicContact CE-CG 3.99Å; Y493-L531 HydrophobicContact CD2-CD1 3.88Å; Y493-L531 HydrophobicContact CE2-CD1 3.55Å; Y493-L545 HydrophobicContact CD1-CB 4.3Å; Y493-L545 HydrophobicContact CE1-CB 3.99Å; Y493-T546 WeakPolarHBondContact CD1-O 2.85Å; Y493-T546 VanDerWaalsContact CE1-C 3.4Å; Y493-T546 WeakPolarHBondContact CE1-O 3.46Å; Y493-T546 PolarHBondContact N-O 3.47Å; Y493-C547 HydrophobicContact CD2-CB 4.3Å; Y493-C547 HydrophobicContact CE1-CB 4.23Å; Y493-C547 HydrophobicContact CE2-CB 3.81Å; Y493-C547 WeakPolarHBondContact O-CA 3.3Å
494P91.9Very high89.8Confident4 Ų449 Ų493%0.02626%0.258CS..PPolyproline II helixtrans-75.9157.1175.731.4-33.1000111.4L465 N468 L470 L475L465-P494 VanDerWaalsContact O-CD 3.3Å; L465-P494 WeakPolarHBondContact O-CD 3.5Å; L465-P494 WeakPolarHBondContact O-CG 3.43Å; N468-P494 HydrophobicContact CB-CG 4.41Å; N468-P494 WeakPolarHBondContact O-CB 3.31Å; L470-P494 HydrophobicContact CB-CG 4.12Å; L470-P494 HydrophobicContact CD1-CG 3.61Å; L470-P494 HydrophobicContact CG-CG 3.98Å; L475-P494 HydrophobicContact CD2-CG 4.03Å
495N90Very high89.6Confident48 Ų4841.5 Ų41.526%0.25724%0.237SC..PPolyproline II helixtrans-61.6141.2166.8-61.1-43.1000109.8Y500 L518N495-Y500 HydrophobicContact CB-CE2 4.05Å; N495-L518 HydrophobicContact CB-CD2 4.13Å
496A91.1Very high88.8Confident0 Ų050.6 Ų50.60%028%0.279CS..PPolyproline II helixtrans-68.3147.3-179.800000110.6L470 R472 L475 E498 D499 Y500 T527L470-A496 WeakPolarHBondContact O-CA 3.49Å; R472-A496 HydrophobicContact CG-CB 3.58Å; L475-A496 HydrophobicContact CD1-CB 3.68Å; A496-E498 WeakPolarHBondContact CB-OE2 3.38Å; A496-E498 PolarHBondContact O-N 3.23Å; A496-E498 VanDerWaalsContact O-N 3.16Å; A496-D499 WeakPolarHBondContact CB-OD2 3.38Å; A496-D499 WeakPolarHBondContact O-CB 3.06Å; A496-D499 PolarHBondContact O-N 3.07Å; A496-Y500 VanDerWaalsContact O-CD2 3.27Å; A496-Y500 WeakPolarHBondContact O-CD2 3.47Å; A496-Y500 WeakPolarHBondContact O-CE2 3.37Å; A496-T527 HydrophobicContact CB-CG2 4.06Å
497L90.3Very high88.6Confident53 Ų5352.8 Ų52.828%0.27729%0.286SS..G310 helixtrans-56.1-32.6177.6-74.5172.7000112.8P469 L470 D499 Y500 L504 P508 L513P469-L497 HydrophobicContact CB-CD1 4.23Å; P469-L497 HydrophobicContact CB-CD2 4.03Å; P469-L497 HydrophobicContact CB-CG 4.49Å; L470-L497 PolarHBondContact O-N 3.19Å; L497-D499 PolarHBondContact O-N 3.48Å; L497-Y500 PolarHBondContact O-N 3.45Å; L497-L504 HydrophobicContact CD2-CD2 3.93Å; L497-P508 HydrophobicContact CD2-CG 3.93Å; L497-L513 HydrophobicContact CD2-CD2 4.1Å
498E89.3Confident88.4Confident79 Ų7950.7 Ų50.737%0.36927%0.271SS..G310 helixtrans-73.3-10.9178.9-55.993143.600113.9S471 R472 A496S471-E498 WeakPolarHBondContact CA-OE2 3.43Å; S471-E498 WeakPolarHBondContact CB-OE1 3.42Å; R472-E498 HydrophobicContact CG-CB 4.5Å; R472-E498 PolarHBondContact N-OE1 3.15Å; R472-E498 VanDerWaalsContact N-OE1 3.1Å; R472-E498 PolarHBondContact N-OE2 3.32Å; A496-E498 WeakPolarHBondContact CB-OE2 3.38Å; A496-E498 PolarHBondContact O-N 3.23Å; A496-E498 VanDerWaalsContact O-N 3.16Å
499D87.6Confident88.1Confident16 Ų1653 Ų539%0.08629%0.288CS..G310 helixtrans-90.9-4.8178.7-57.6-21.5000111.9R472 A496 L497 L518 D519 T527R472-D499 IonicContact CZ-OD1 3.03Å; R472-D499 IonicContact NE-OD1 2.84Å; R472-D499 PolarHBondContact NE-OD1 2.91Å; R472-D499 IonicContact NH2-OD1 2.93Å; R472-D499 PolarHBondContact NH2-OD1 3.36Å; A496-D499 WeakPolarHBondContact CB-OD2 3.38Å; A496-D499 WeakPolarHBondContact O-CB 3.06Å; A496-D499 PolarHBondContact O-N 3.07Å; L497-D499 PolarHBondContact O-N 3.48Å; D499-L518 HydrophobicContact CB-CD2 4.3Å; D499-L518 CarbonylContact O-C 3.19Å; D499-L518 WeakPolarHBondContact O-CA 3.36Å; D499-L518 WeakPolarHBondContact O-CD2 3.07Å; D499-D519 PolarHBondContact O-N 3.17Å; D499-T527 PolarHBondContact OD1-OG1 2.98Å; D499-T527 WeakPolarHBondContact OD2-CB 3.45Å; D499-T527 PolarHBondContact OD2-OG1 2.99Å
500Y87.9Confident87.9Confident15 Ų1547.7 Ų47.76%0.05927%0.27CS..BIsolated β-bridgetrans-90.9152.4177-67.2-87000112.3N495 A496 L497 L504 L513 W516 L518N495-Y500 HydrophobicContact CB-CE2 4.05Å; A496-Y500 VanDerWaalsContact O-CD2 3.27Å; A496-Y500 WeakPolarHBondContact O-CD2 3.47Å; A496-Y500 WeakPolarHBondContact O-CE2 3.37Å; L497-Y500 PolarHBondContact O-N 3.45Å; Y500-L504 HydrophobicContact CD2-CD2 4.15Å; Y500-L504 HydrophobicContact CG-CD2 4.05Å; Y500-L513 HydrophobicContact CD2-CD2 4.38Å; Y500-L513 HydrophobicContact CE1-CD2 4.29Å; Y500-L513 VanDerWaalsContact CE1-O 3.31Å; Y500-L513 WeakPolarHBondContact CE1-O 3.28Å; Y500-L513 HydrophobicContact CE2-CD2 3.72Å; Y500-L513 PolarHBondContact OH-O 3Å; Y500-W516 HydrophobicContact CD1-CB 3.95Å; Y500-W516 HydrophobicContact CD1-CG 4.37Å; Y500-W516 HydrophobicContact CE1-CB 4.37Å; Y500-L518 HydrophobicContact CD1-CD2 3.78Å; Y500-L518 HydrophobicContact CD2-CD2 4.45Å; Y500-L518 HydrophobicContact CE1-CD2 3.75Å; Y500-L518 HydrophobicContact CE2-CD2 4.44Å; Y500-L518 HydrophobicContact CG-CD2 4.16Å
501Q87.5Confident87.7Confident83 Ų8351.1 Ų51.139%0.38829%0.292SS..PPolyproline II helixtrans-61.5147.6174.5-71.7-173.10.500112.6W516 P517 D519Q501-W516 PolarHBondContact O-NE1 2.9Å; Q501-P517 HydrophobicContact CB-CG 4.25Å; Q501-P517 HydrophobicContact CG-CB 4.27Å; Q501-P517 HydrophobicContact CG-CG 4.1Å; Q501-P517 PolarHBondContact N-O 3.36Å; Q501-P517 VanDerWaalsContact OE1-CG 3.24Å; Q501-D519 HydrophobicContact CG-CB 4.23Å
502P82.6Confident87.4Confident118 Ų11854.2 Ų54.277%0.76631%0.307SS*.THydrogen-bonded Turntrans-59.5147.7-179.624.8-34.6000112.3
503G82.4Confident87.1Confident64 Ų6454.5 Ų54.566%0.6631%0.308SS*.THydrogen-bonded Turntrans102.2-1.3-177.100000114.5W516G503-W516 VanDerWaalsContact C-CZ2 3.43Å
504L86.5Confident86.9Confident33 Ų3358.7 Ų58.717%0.17333%0.331CS..  trans-61.7135.1168.6-17070.9000109.9L497 Y500 P508 L513 W516L497-L504 HydrophobicContact CD2-CD2 3.93Å; Y500-L504 HydrophobicContact CD2-CD2 4.15Å; Y500-L504 HydrophobicContact CG-CD2 4.05Å; L504-P508 HydrophobicContact CD1-CB 3.84Å; L504-P508 HydrophobicContact CD2-CB 4.21Å; L504-P508 HydrophobicContact CD2-CG 3.99Å; L504-P508 HydrophobicContact CG-CB 3.95Å; L504-P508 HydrophobicContact CG-CG 4.21Å; L504-L513 HydrophobicContact CD2-CD2 4.13Å; L504-W516 HydrophobicContact CD1-CB 4.05Å; L504-W516 HydrophobicContact CD1-CD2 3.66Å; L504-W516 HydrophobicContact CD1-CE3 4.03Å; L504-W516 HydrophobicContact CD1-CG 3.68Å
505P86.1Confident86.7Confident54 Ų5466.3 Ų66.335%0.35137%0.366SS..  trans-58.3154.1174.5-23.734.1000112.5L507 P508P505-L507 PolarHBondContact O-N 2.99Å; P505-P508 WeakPolarHBondContact O-CD 3.36Å
506E76.6Confident86.6Confident194 Ų19467.9 Ų67.991%0.90737%0.369SS*.SBendtrans-61-29.7177.9-66.5-174.6170.100113.4
507L82.6Confident86.3Confident133 Ų13370.9 Ų70.970%0.69639%0.388SS*.SBendtrans-126.479.6175.6-74.8165000108.9T443 P505T443-L507 HydrophobicContact CG2-CD2 3.88Å; P505-L507 PolarHBondContact O-N 2.99Å
508P87.5Confident86Confident9 Ų972 Ų726%0.05839%0.394CS..  trans-74.1145.7-177.431.7-33.5000110.8P469 L497 L504 P505 Q512 L513P469-P508 HydrophobicContact CB-CG 4.02Å; L497-P508 HydrophobicContact CD2-CG 3.93Å; L504-P508 HydrophobicContact CD1-CB 3.84Å; L504-P508 HydrophobicContact CD2-CB 4.21Å; L504-P508 HydrophobicContact CD2-CG 3.99Å; L504-P508 HydrophobicContact CG-CB 3.95Å; L504-P508 HydrophobicContact CG-CG 4.21Å; P505-P508 WeakPolarHBondContact O-CD 3.36Å; P508-Q512 HydrophobicContact CB-CB 4.26Å; P508-L513 HydrophobicContact CB-CD2 4.08Å; P508-L513 HydrophobicContact CB-CG 4.08Å; P508-L513 HydrophobicContact CG-CD1 4.27Å; P508-L513 HydrophobicContact CG-CD2 3.66Å; P508-L513 HydrophobicContact CG-CG 3.94Å
509S88.4Confident85.6Confident49 Ų4970 Ų7034%0.34339%0.386SS..  trans-73.8162.9170.965.60000111.6T511 Q512 L513S509-T511 VanDerWaalsContact C-N 3.25Å; S509-T511 PolarHBondContact O-N 2.94Å; S509-T511 PolarHBondContact OG-OG1 2.73Å; S509-Q512 PolarHBondContact O-N 3.31Å; S509-Q512 VanDerWaalsContact O-N 3.12Å; S509-Q512 WeakPolarHBondContact OG-CG 3.49Å; S509-Q512 PolarHBondContact OG-N 3.01Å; S509-Q512 PolarHBondContact OG-OE1 3.49Å; S509-L513 WeakPolarHBondContact O-CG 3.44Å; S509-L513 PolarHBondContact O-N 2.9Å
510S87.5Confident84.6Confident19 Ų1978.4 Ų78.413%0.13342%0.424CS..Hα-helixtrans-54.9-41172.752.90000112.5E410 L513 L514E410-S510 WeakPolarHBondContact OE1-CB 3.29Å; E410-S510 PolarHBondContact OE1-OG 2.62Å; E410-S510 WeakPolarHBondContact OE2-CB 3.09Å; E410-S510 PolarHBondContact OE2-OG 3.48Å; S510-L513 PolarHBondContact O-N 2.99Å; S510-L514 WeakPolarHBondContact O-CB 3.41Å; S510-L514 PolarHBondContact O-N 3.18Å
511T86Confident83.4Confident81 Ų8182.3 Ų82.350%0.49745%0.454SS..Hα-helixtrans-63.6-41.3175.852.10000112.5S509 L514 E515S509-T511 VanDerWaalsContact C-N 3.25Å; S509-T511 PolarHBondContact O-N 2.94Å; S509-T511 PolarHBondContact OG-OG1 2.73Å; T511-L514 PolarHBondContact O-N 2.87Å; T511-E515 WeakPolarHBondContact O-CG 3.48Å; T511-E515 PolarHBondContact O-N 3.32Å
512Q88.3Confident82.1Confident66 Ų6680.1 Ų80.131%0.30845%0.446SS..Hα-helixtrans-65-46.6175.7-73.9172.9-33.400110.4P508 S509 L514 E515 W516P508-Q512 HydrophobicContact CB-CB 4.26Å; S509-Q512 PolarHBondContact O-N 3.31Å; S509-Q512 VanDerWaalsContact O-N 3.12Å; S509-Q512 WeakPolarHBondContact OG-CG 3.49Å; S509-Q512 PolarHBondContact OG-N 3.01Å; S509-Q512 PolarHBondContact OG-OE1 3.49Å; Q512-L514 PolarHBondContact O-N 3.23Å; Q512-E515 PolarHBondContact O-N 2.96Å; Q512-W516 WeakPolarHBondContact O-CB 3.4Å; Q512-W516 PolarHBondContact O-N 2.99Å
513L87.3Confident80.8Confident6 Ų679.4 Ų79.43%0.03144%0.436CS..Hα-helixtrans-60.8-29.8176.7-69172.7000113.1L467 P469 L497 Y500 L504 P508 S509 S510L467-L513 HydrophobicContact CD2-CB 4.33Å; L467-L513 WeakPolarHBondContact O-CD1 3.44Å; P469-L513 HydrophobicContact CB-CD1 4.36Å; L497-L513 HydrophobicContact CD2-CD2 4.1Å; Y500-L513 HydrophobicContact CD2-CD2 4.38Å; Y500-L513 HydrophobicContact CE1-CD2 4.29Å; Y500-L513 VanDerWaalsContact CE1-O 3.31Å; Y500-L513 WeakPolarHBondContact CE1-O 3.28Å; Y500-L513 HydrophobicContact CE2-CD2 3.72Å; Y500-L513 PolarHBondContact OH-O 3Å; L504-L513 HydrophobicContact CD2-CD2 4.13Å; P508-L513 HydrophobicContact CB-CD2 4.08Å; P508-L513 HydrophobicContact CB-CG 4.08Å; P508-L513 HydrophobicContact CG-CD1 4.27Å; P508-L513 HydrophobicContact CG-CD2 3.66Å; P508-L513 HydrophobicContact CG-CG 3.94Å; S509-L513 WeakPolarHBondContact O-CG 3.44Å; S509-L513 PolarHBondContact O-N 2.9Å; S510-L513 PolarHBondContact O-N 2.99Å
514L87.1Confident79.5Confident108 Ų10880.5 Ų80.557%0.56543%0.434SS*.Hα-helixtrans-75.5-40.9176.9-176.365.2000112.5L467 S510 T511 Q512 L549L467-L514 HydrophobicContact CD1-CB 4.46Å; L467-L514 HydrophobicContact CD2-CB 3.87Å; L467-L514 HydrophobicContact CD2-CD1 4.07Å; S510-L514 WeakPolarHBondContact O-CB 3.41Å; S510-L514 PolarHBondContact O-N 3.18Å; T511-L514 PolarHBondContact O-N 2.87Å; Q512-L514 PolarHBondContact O-N 3.23Å; L514-L549 HydrophobicContact CD1-CD2 4.29Å
515E87.4Confident78.3Confident164 Ų16483.3 Ų83.377%0.76645%0.449SS*.Hα-helixtrans-90.9-22.3-173.7-67.4-179.817400113.5T511 Q512T511-E515 WeakPolarHBondContact O-CG 3.48Å; T511-E515 PolarHBondContact O-N 3.32Å; Q512-E515 PolarHBondContact O-N 2.96Å
516W88Confident77.8Confident82 Ų8283.6 Ų83.631%0.31145%0.45SS..SBendtrans-72.6132.2-173.3-155.3-89.2000111.2Y500 Q501 G503 L504 Q512Y500-W516 HydrophobicContact CD1-CB 3.95Å; Y500-W516 HydrophobicContact CD1-CG 4.37Å; Y500-W516 HydrophobicContact CE1-CB 4.37Å; Q501-W516 PolarHBondContact O-NE1 2.9Å; G503-W516 VanDerWaalsContact C-CZ2 3.43Å; L504-W516 HydrophobicContact CD1-CB 4.05Å; L504-W516 HydrophobicContact CD1-CD2 3.66Å; L504-W516 HydrophobicContact CD1-CE3 4.03Å; L504-W516 HydrophobicContact CD1-CG 3.68Å; Q512-W516 WeakPolarHBondContact O-CB 3.4Å; Q512-W516 PolarHBondContact O-N 2.99Å
517P84.9Confident78Confident62 Ų6274.6 Ų74.640%0.40341%0.408SS..PPolyproline II helixtrans-65.4139.6-178.826.2-34.4000111.5Q501Q501-P517 HydrophobicContact CB-CG 4.25Å; Q501-P517 HydrophobicContact CG-CB 4.27Å; Q501-P517 HydrophobicContact CG-CG 4.1Å; Q501-P517 PolarHBondContact N-O 3.36Å; Q501-P517 VanDerWaalsContact OE1-CG 3.24Å
518L84.6Confident77.8Confident76 Ų7670.3 Ų70.340%0.39839%0.389SS..BIsolated β-bridgetrans-74.5146.4168.3-63.3173.4000109.6N495 D499 Y500 E520N495-L518 HydrophobicContact CB-CD2 4.13Å; D499-L518 HydrophobicContact CB-CD2 4.3Å; D499-L518 CarbonylContact O-C 3.19Å; D499-L518 WeakPolarHBondContact O-CA 3.36Å; D499-L518 WeakPolarHBondContact O-CD2 3.07Å; Y500-L518 HydrophobicContact CD1-CD2 3.78Å; Y500-L518 HydrophobicContact CD2-CD2 4.45Å; Y500-L518 HydrophobicContact CE1-CD2 3.75Å; Y500-L518 HydrophobicContact CE2-CD2 4.44Å; Y500-L518 HydrophobicContact CG-CD2 4.16Å; L518-E520 PolarHBondContact O-N 2.87Å
519D80.1Confident77.5Confident39 Ų3974.6 Ų74.621%0.20941%0.412CS..  trans-76.4106.9176.2-169.6-13.4000109.5D499 Q501 S521 V522D499-D519 PolarHBondContact O-N 3.17Å; Q501-D519 HydrophobicContact CG-CB 4.23Å; D519-S521 VanDerWaalsContact CG-OG 3.24Å; D519-S521 PolarHBondContact O-N 3.18Å; D519-S521 VanDerWaalsContact OD1-CB 3.29Å; D519-S521 WeakPolarHBondContact OD1-CB 3.22Å; D519-S521 PolarHBondContact OD1-N 2.93Å; D519-S521 PolarHBondContact OD1-OG 2.92Å; D519-S521 PolarHBondContact OD2-OG 3.49Å; D519-V522 HydrophobicContact CB-CB 4.22Å; D519-V522 HydrophobicContact CB-CG2 3.9Å; D519-V522 PolarHBondContact O-N 2.65Å; D519-V522 VanDerWaalsContact O-O 3.09Å
520E68.1Low77.3Confident191 Ų19177.4 Ų77.489%0.89342%0.418SS*.THydrogen-bonded Turntrans-66.4-16.6177.5-62.4-175.6171.800113.1L518L518-E520 PolarHBondContact O-N 2.87Å
521S62.8Low77.2Confident98 Ų9876.6 Ų76.669%0.68541%0.412SS*.THydrogen-bonded Turntrans-83.3-22.8177.277.20000113.1D519 D523D519-S521 VanDerWaalsContact CG-OG 3.24Å; D519-S521 PolarHBondContact O-N 3.18Å; D519-S521 VanDerWaalsContact OD1-CB 3.29Å; D519-S521 WeakPolarHBondContact OD1-CB 3.22Å; D519-S521 PolarHBondContact OD1-N 2.93Å; D519-S521 PolarHBondContact OD1-OG 2.92Å; D519-S521 PolarHBondContact OD2-OG 3.49Å; S521-D523 PolarHBondContact O-N 2.69Å
522V58.5Low77.1Confident36 Ų3675 Ų7522%0.21840%0.404CS..SBendtrans-80.4107.1165.7179.20000105.4D519 S524D519-V522 HydrophobicContact CB-CB 4.22Å; D519-V522 HydrophobicContact CB-CG2 3.9Å; D519-V522 PolarHBondContact O-N 2.65Å; D519-V522 VanDerWaalsContact O-O 3.09Å; V522-S524 PolarHBondContact O-N 3.12Å
523D55.2Low76.9Confident104 Ų10476 Ų7656%0.55641%0.409SS*.  trans-46.9106.7169.7-88.4-27.2000107.8S521 N525 T526S521-D523 PolarHBondContact O-N 2.69Å; D523-N525 HydrophobicContact CB-CB 4.33Å; D523-N525 PolarHBondContact O-N 3.13Å; D523-T526 HydrophobicContact CB-CG2 3.82Å; D523-T526 WeakPolarHBondContact O-CB 3.04Å; D523-T526 PolarHBondContact O-N 3.45Å; D523-T526 PolarHBondContact O-OG1 2.93Å
524S55.3Low76.9Confident87 Ų8776.7 Ų76.761%0.60841%0.413SS*.Hα-helixtrans-55.3-20.6173.348.50000111.1V522 T526 S528V522-S524 PolarHBondContact O-N 3.12Å; S524-T526 VanDerWaalsContact C-N 3.34Å; S524-T526 PolarHBondContact O-N 3.42Å; S524-S528 WeakPolarHBondContact O-CB 3.29Å; S524-S528 PolarHBondContact O-N 3.48Å
525N61.8Low76.8Confident91 Ų9172.2 Ų72.249%0.48739%0.389SS..Hα-helixtrans-62.1-29.3167.6-64.6-21.7000113.9D523 N529D523-N525 HydrophobicContact CB-CB 4.33Å; D523-N525 PolarHBondContact O-N 3.13Å; N525-N529 WeakPolarHBondContact O-CA 3.33Å; N525-N529 WeakPolarHBondContact O-CB 3.18Å; N525-N529 PolarHBondContact O-N 3.17Å; N525-N529 PolarHBondContact O-ND2 2.83Å; N525-N529 PolarHBondContact O-OD1 2.71Å
526T75.4Confident76.6Confident60 Ų6071 Ų7137%0.36839%0.385SS..Hα-helixtrans-66.9-49.8-176.453.60000112.6D523 S524 K530D523-T526 HydrophobicContact CB-CG2 3.82Å; D523-T526 WeakPolarHBondContact O-CB 3.04Å; D523-T526 PolarHBondContact O-N 3.45Å; D523-T526 PolarHBondContact O-OG1 2.93Å; S524-T526 VanDerWaalsContact C-N 3.34Å; S524-T526 PolarHBondContact O-N 3.42Å; T526-K530 WeakPolarHBondContact O-CB 3.13Å; T526-K530 PolarHBondContact O-N 2.97Å
527T80.1Confident76.4Confident6 Ų673.1 Ų73.14%0.03740%0.403CS..Hα-helixtrans-62.2-51173.7-58.80000110R472 L475 A496 D499 N529 K530 L531R472-T527 HydrophobicContact CG-CG2 4.27Å; R472-T527 PolarHBondContact NE-OG1 3.2Å; L475-T527 HydrophobicContact CD1-CG2 4.26Å; A496-T527 HydrophobicContact CB-CG2 4.06Å; D499-T527 PolarHBondContact OD1-OG1 2.98Å; D499-T527 WeakPolarHBondContact OD2-CB 3.45Å; D499-T527 PolarHBondContact OD2-OG1 2.99Å; T527-N529 PolarHBondContact O-N 2.9Å; T527-K530 PolarHBondContact O-N 2.96Å; T527-K530 VanDerWaalsContact O-N 3.1Å; T527-L531 HydrophobicContact CG2-CD1 4.03Å; T527-L531 HydrophobicContact CG2-CG 4.4Å; T527-L531 VanDerWaalsContact O-CG 3.31Å; T527-L531 WeakPolarHBondContact O-CG 3.23Å; T527-L531 PolarHBondContact O-N 3.28Å
528S79.8Confident76.3Confident43 Ų4372.5 Ų72.530%0.30140%0.4SS..Hα-helixtrans-59.8-42.2-180-173.40000113.1S524 K530 L531 S532S524-S528 WeakPolarHBondContact O-CB 3.29Å; S524-S528 PolarHBondContact O-N 3.48Å; S528-K530 VanDerWaalsContact C-N 3.35Å; S528-K530 PolarHBondContact O-N 2.74Å; S528-L531 PolarHBondContact O-N 3.11Å; S528-S532 VanDerWaalsContact O-CB 3.27Å; S528-S532 WeakPolarHBondContact O-CB 3.36Å; S528-S532 PolarHBondContact O-N 3.15Å; S528-S532 PolarHBondContact O-OG 2.79Å
529N81.1Confident76.1Confident99 Ų9972.1 Ų72.153%0.52941%0.414SS..Hα-helixtrans-64.7-39.6175.5-72-22000111N525 T527 S532 Q533N525-N529 WeakPolarHBondContact O-CA 3.33Å; N525-N529 WeakPolarHBondContact O-CB 3.18Å; N525-N529 PolarHBondContact O-N 3.17Å; N525-N529 PolarHBondContact O-ND2 2.83Å; N525-N529 PolarHBondContact O-OD1 2.71Å; T527-N529 PolarHBondContact O-N 2.9Å; N529-S532 PolarHBondContact O-N 3.42Å; N529-Q533 WeakPolarHBondContact O-CB 3.45Å; N529-Q533 PolarHBondContact O-N 2.62Å
530K84.7Confident76.1Confident107 Ų10772.3 Ų72.347%0.46541%0.412SS..Hα-helixtrans-66.9-43.6178.6-167.368.8-172.5169.30111.6T526 T527 S528 Q533 V534T526-K530 WeakPolarHBondContact O-CB 3.13Å; T526-K530 PolarHBondContact O-N 2.97Å; T527-K530 PolarHBondContact O-N 2.96Å; T527-K530 VanDerWaalsContact O-N 3.1Å; S528-K530 VanDerWaalsContact C-N 3.35Å; S528-K530 PolarHBondContact O-N 2.74Å; K530-Q533 PolarHBondContact O-N 3.19Å; K530-V534 WeakPolarHBondContact O-CG2 3.31Å; K530-V534 PolarHBondContact O-N 3.32Å
531L85.1Confident76.6Confident3 Ų369.1 Ų69.12%0.01641%0.411CS..Hα-helixtrans-64.6-42.2175.4-60.9175000110.9L475 M479 Y493 T527 S528 Q533 V534 M535L475-L531 HydrophobicContact CB-CD2 3.77Å; L475-L531 HydrophobicContact CD1-CD1 4.48Å; M479-L531 HydrophobicContact CG-CB 4.25Å; M479-L531 HydrophobicContact CG-CD2 3.58Å; M479-L531 HydrophobicContact CG-CG 4.4Å; Y493-L531 HydrophobicContact CD2-CD1 3.88Å; Y493-L531 HydrophobicContact CE2-CD1 3.55Å; T527-L531 HydrophobicContact CG2-CD1 4.03Å; T527-L531 HydrophobicContact CG2-CG 4.4Å; T527-L531 VanDerWaalsContact O-CG 3.31Å; T527-L531 WeakPolarHBondContact O-CG 3.23Å; T527-L531 PolarHBondContact O-N 3.28Å; S528-L531 PolarHBondContact O-N 3.11Å; L531-Q533 VanDerWaalsContact C-N 3.33Å; L531-Q533 PolarHBondContact O-N 3.3Å; L531-V534 PolarHBondContact O-N 3.38Å; L531-M535 WeakPolarHBondContact O-CG 3.44Å; L531-M535 PolarHBondContact O-N 3.21Å
532S82.4Confident77.7Confident48 Ų4868.3 Ų68.334%0.33640%0.399SS..Hα-helixtrans-61.7-39.8175.1-61.40000112S528 N529 M535 M536S528-S532 VanDerWaalsContact O-CB 3.27Å; S528-S532 WeakPolarHBondContact O-CB 3.36Å; S528-S532 PolarHBondContact O-N 3.15Å; S528-S532 PolarHBondContact O-OG 2.79Å; N529-S532 PolarHBondContact O-N 3.42Å; S532-M535 PolarHBondContact O-N 2.97Å; S532-M536 WeakPolarHBondContact O-CG 3.36Å; S532-M536 PolarHBondContact O-N 3.03Å
533Q85.4Confident79.1Confident86 Ų8667.5 Ų67.540%0.40239%0.393SS..Hα-helixtrans-62.1-48.1174.5-172.9-17816.700111.4N529 K530 L531 M535 M536 D537N529-Q533 WeakPolarHBondContact O-CB 3.45Å; N529-Q533 PolarHBondContact O-N 2.62Å; K530-Q533 PolarHBondContact O-N 3.19Å; L531-Q533 VanDerWaalsContact C-N 3.33Å; L531-Q533 PolarHBondContact O-N 3.3Å; Q533-M535 PolarHBondContact O-N 3.4Å; Q533-M536 PolarHBondContact O-N 3.13Å; Q533-M536 VanDerWaalsContact O-N 3.15Å; Q533-D537 VanDerWaalsContact O-CG 3.26Å; Q533-D537 PolarHBondContact O-N 3.35Å
534V86.6Confident80.6Confident21 Ų2166.7 Ų66.713%0.12739%0.392CS..Hα-helixtrans-58.8-37.6177172.80000111.3M479 R480 K530 L531 S538M479-V534 HydrophobicContact CB-CG1 3.89Å; R480-V534 HydrophobicContact CG-CG1 3.7Å; K530-V534 WeakPolarHBondContact O-CG2 3.31Å; K530-V534 PolarHBondContact O-N 3.32Å; L531-V534 PolarHBondContact O-N 3.38Å; V534-S538 PolarHBondContact O-N 2.85Å
535M85.4Confident82.2Confident13 Ų1364.8 Ų64.86%0.06438%0.375CS..Hα-helixtrans-70.2-42.4175.1-72.9-52.4-54.300113M479 A483 L531 S532 Q533 D537 S538 G539 R540 L543 L545M479-M535 HydrophobicContact CB-SD 4.28Å; M479-M535 HydrophobicContact SD-SD 4.34Å; A483-M535 HydrophobicContact CB-CE 4.36Å; A483-M535 HydrophobicContact CB-SD 4.34Å; L531-M535 WeakPolarHBondContact O-CG 3.44Å; L531-M535 PolarHBondContact O-N 3.21Å; S532-M535 PolarHBondContact O-N 2.97Å; Q533-M535 PolarHBondContact O-N 3.4Å; M535-D537 VanDerWaalsContact C-N 3.32Å; M535-D537 PolarHBondContact O-N 3.42Å; M535-S538 WeakPolarHBondContact O-CB 3.38Å; M535-S538 PolarHBondContact O-N 3.2Å; M535-S538 VanDerWaalsContact O-N 3.12Å; M535-S538 PolarHBondContact O-OG 3.4Å; M535-G539 PolarHBondContact O-N 2.9Å; M535-R540 HydrophobicContact CE-CB 4.1Å; M535-L543 HydrophobicContact CE-CB 4.2Å; M535-L543 HydrophobicContact CE-CD2 3.66Å; M535-L543 HydrophobicContact CE-CG 4.39Å; M535-L543 HydrophobicContact SD-CD2 4.18Å; M535-L545 HydrophobicContact CG-CD1 3.53Å; M535-L545 HydrophobicContact CG-CG 4.46Å; M535-L545 HydrophobicContact SD-CD1 4.39Å
536M82.8Confident83.4Confident138 Ų13862 Ų6268%0.6836%0.361SS*.Hα-helixtrans-60.4-42.7175.7-75.4-171.2-68.800111.6S532 Q533 S538 G539S532-M536 WeakPolarHBondContact O-CG 3.36Å; S532-M536 PolarHBondContact O-N 3.03Å; Q533-M536 PolarHBondContact O-N 3.13Å; Q533-M536 VanDerWaalsContact O-N 3.15Å; M536-S538 PolarHBondContact O-N 2.84Å; M536-G539 PolarHBondContact O-N 3.26Å
537D84.9Confident83.7Confident127 Ų12761.8 Ų61.868%0.67936%0.361SS*.Hα-helixtrans-61.6-27.8177.4-67.6-18.1000112.1Q533 M535Q533-D537 VanDerWaalsContact O-CG 3.26Å; Q533-D537 PolarHBondContact O-N 3.35Å; M535-D537 VanDerWaalsContact C-N 3.32Å; M535-D537 PolarHBondContact O-N 3.42Å
538S82.8Confident83.8Confident50 Ų5064.3 Ų64.335%0.3537%0.374SS..Hα-helixtrans-81-13.9176.479.40000114.4A483 V534 M535 M536 R540A483-S538 WeakPolarHBondContact CB-OG 3.14Å; V534-S538 PolarHBondContact O-N 2.85Å; M535-S538 WeakPolarHBondContact O-CB 3.38Å; M535-S538 PolarHBondContact O-N 3.2Å; M535-S538 VanDerWaalsContact O-N 3.12Å; M535-S538 PolarHBondContact O-OG 3.4Å; M536-S538 PolarHBondContact O-N 2.84Å; S538-R540 VanDerWaalsContact C-N 3.27Å; S538-R540 PolarHBondContact O-N 3.45Å
539G79.1Confident83.6Confident67 Ų6765.6 Ų65.669%0.69138%0.378SS*.THydrogen-bonded Turntrans72.48.517900000115.7M535 M536M535-G539 PolarHBondContact O-N 2.9Å; M536-G539 PolarHBondContact O-N 3.26Å
540R81.3Confident83Confident44 Ų4468.5 Ų68.517%0.16639%0.392CS..  trans-89.8120.7177.1-74.6-116.2-71.3148.60.9111.2A482 A483 M485 L488 M535 S538 D542A482-R540 PolarHBondContact O-NH2 3.27Å; A482-R540 VanDerWaalsContact O-NH2 3.13Å; A483-R540 PolarHBondContact O-NE 3.05Å; A483-R540 VanDerWaalsContact O-NE 3.12Å; M485-R540 VanDerWaalsContact O-CZ 3.27Å; M485-R540 PolarHBondContact O-NH2 2.84Å; L488-R540 PolarHBondContact O-NH1 3.09Å; L488-R540 VanDerWaalsContact O-NH1 3.16Å; L488-R540 PolarHBondContact O-NH2 3.43Å; M535-R540 HydrophobicContact CE-CB 4.1Å; S538-R540 VanDerWaalsContact C-N 3.27Å; S538-R540 PolarHBondContact O-N 3.45Å; R540-D542 WeakPolarHBondContact CD-OD1 3.47Å; R540-D542 IonicContact CZ-OD1 3.2Å; R540-D542 IonicContact NE-OD1 2.62Å; R540-D542 VanDerWaalsContact NH1-CG 3.26Å; R540-D542 IonicContact NH1-OD1 2.93Å; R540-D542 PolarHBondContact NH1-OD1 3.34Å; R540-D542 IonicContact NH1-OD2 3.64Å; R540-D542 PolarHBondContact NH1-OD2 2.93Å
541S78Confident82Confident124 Ų12468.9 Ų68.987%0.86740%0.399SS*.  trans-111.3-3.5179.264.20000113.9
542D85.4Confident81.3Confident81 Ų8170.4 Ų70.443%0.43341%0.406SS..SBendtrans-93.2-11.2-176.163.7-44.2000113.6R540R540-D542 WeakPolarHBondContact CD-OD1 3.47Å; R540-D542 IonicContact CZ-OD1 3.2Å; R540-D542 IonicContact NE-OD1 2.62Å; R540-D542 VanDerWaalsContact NH1-CG 3.26Å; R540-D542 IonicContact NH1-OD1 2.93Å; R540-D542 PolarHBondContact NH1-OD1 3.34Å; R540-D542 IonicContact NH1-OD2 3.64Å; R540-D542 PolarHBondContact NH1-OD2 2.93Å
543L87.7Confident80.6Confident18 Ų1872 Ų729%0.09441%0.41CS..PPolyproline II helixtrans-87.8117.7177.1179.561.3000111.1A482 L488 R489 L491 M535 L545A482-L543 HydrophobicContact CB-CD2 4.08Å; L488-L543 HydrophobicContact CB-CD1 4.42Å; L488-L543 HydrophobicContact CD2-CD1 3.89Å; L488-L543 HydrophobicContact CD2-CD2 4.31Å; L488-L543 HydrophobicContact CG-CD1 3.79Å; R489-L543 VanDerWaalsContact C-CD1 3.47Å; L491-L543 HydrophobicContact CB-CD1 4.18Å; M535-L543 HydrophobicContact CE-CB 4.2Å; M535-L543 HydrophobicContact CE-CD2 3.66Å; M535-L543 HydrophobicContact CE-CG 4.39Å; M535-L543 HydrophobicContact SD-CD2 4.18Å; L543-L545 HydrophobicContact CD2-CD2 3.84Å; L543-L545 HydrophobicContact CG-CD2 3.88Å
544V88Confident79.5Confident87 Ų8769.5 Ų69.553%0.52740%0.398SS..EExtended strand (participates in β ladder)trans-85.1121.7171.4-178.70000109.3R489 L490 L491R489-V544 PolarHBondContact O-N 2.77Å; L490-V544 WeakPolarHBondContact CA-O 3.43Å; L490-V544 HydrophobicContact CD1-CB 3.93Å; L490-V544 HydrophobicContact CD1-CG1 3.89Å; L491-V544 PolarHBondContact N-O 3.05Å
545L87.9Confident78.1Confident47 Ų4773 Ų7325%0.24642%0.417CS..EExtended strand (participates in β ladder)trans-102.6131173.2-59.2-174.5000109.7M479 L491 Y493 M535 L543M479-L545 HydrophobicContact CE-CD2 4.27Å; M479-L545 HydrophobicContact SD-CD1 3.59Å; M479-L545 VanDerWaalsContact SD-CD1 3.59Å; M479-L545 HydrophobicContact SD-CD2 3.68Å; M479-L545 HydrophobicContact SD-CG 4.3Å; L491-L545 HydrophobicContact CB-CD2 3.8Å; L491-L545 HydrophobicContact CD2-CD2 3.83Å; L491-L545 HydrophobicContact CG-CD2 4.16Å; Y493-L545 HydrophobicContact CD1-CB 4.3Å; Y493-L545 HydrophobicContact CE1-CB 3.99Å; M535-L545 HydrophobicContact CG-CD1 3.53Å; M535-L545 HydrophobicContact CG-CG 4.46Å; M535-L545 HydrophobicContact SD-CD1 4.39Å; L543-L545 HydrophobicContact CD2-CD2 3.84Å; L543-L545 HydrophobicContact CG-CD2 3.88Å
546T87Confident76.6Confident34 Ų3479.1 Ų79.121%0.20945%0.447CS..EExtended strand (participates in β ladder)trans-141.7146.5173.3-175.20000110.7L490 L491 L492 Y493 D548 F552L490-T546 HydrophobicContact CD1-CG2 4.31Å; L491-T546 PolarHBondContact O-N 3.03Å; L492-T546 VanDerWaalsContact CA-O 3.27Å; L492-T546 WeakPolarHBondContact CA-O 3.5Å; L492-T546 HydrophobicContact CB-CG2 4.43Å; L492-T546 HydrophobicContact CD1-CG2 4.07Å; L492-T546 WeakPolarHBondContact CD1-O 3.35Å; Y493-T546 WeakPolarHBondContact CD1-O 2.85Å; Y493-T546 VanDerWaalsContact CE1-C 3.4Å; Y493-T546 WeakPolarHBondContact CE1-O 3.46Å; Y493-T546 PolarHBondContact N-O 3.47Å; T546-D548 WeakPolarHBondContact OG1-CB 3.42Å; T546-D548 PolarHBondContact OG1-N 3.49Å; T546-F552 HydrophobicContact CG2-CD2 3.97Å
547C82.9Confident75.3Confident54 Ų5473 Ų7337%0.36542%0.417SS..  trans-106.30.9164.956.10000111.7Y493 L549Y493-C547 HydrophobicContact CD2-CB 4.3Å; Y493-C547 HydrophobicContact CE1-CB 4.23Å; Y493-C547 HydrophobicContact CE2-CB 3.81Å; Y493-C547 WeakPolarHBondContact O-CA 3.3Å; C547-L549 PolarHBondContact O-N 3.43Å; C547-L549 VanDerWaalsContact O-N 3.16Å
548D81.3Confident73.6Confident59 Ų5970.9 Ų70.932%0.31641%0.406SS..  trans-79.698.5-179.6-171.6-16.1000110.3T546 L550 N551 F552T546-D548 WeakPolarHBondContact OG1-CB 3.42Å; T546-D548 PolarHBondContact OG1-N 3.49Å; D548-L550 VanDerWaalsContact C-N 3.27Å; D548-L550 PolarHBondContact O-N 2.82Å; D548-L550 PolarHBondContact OD1-N 2.71Å; D548-N551 PolarHBondContact OD1-N 3.38Å; D548-N551 VanDerWaalsContact OD1-N 3.1Å; D548-N551 WeakPolarHBondContact OD2-CB 3.29Å; D548-N551 PolarHBondContact OD2-ND2 2.88Å; D548-F552 WeakPolarHBondContact O-CB 3.49Å; D548-F552 PolarHBondContact O-N 3.4Å
549L76.6Confident73.2Confident70 Ų7072 Ų7237%0.36641%0.409SS..SBendtrans-65-30177.5-178.563.9000112.6A466 L467 L492 L514 C547A466-L549 HydrophobicContact CB-CD1 3.88Å; L467-L549 HydrophobicContact CD1-CD2 4.05Å; L467-L549 HydrophobicContact CG-CD2 4.32Å; L492-L549 HydrophobicContact CD2-CD1 3.8Å; L514-L549 HydrophobicContact CD1-CD2 4.29Å; C547-L549 PolarHBondContact O-N 3.43Å; C547-L549 VanDerWaalsContact O-N 3.16Å
550L67.4Low72.9Confident161 Ų16172.2 Ų72.284%0.84339%0.394SS*.SBendtrans-79.5-35-172.9-64.3174.4000112.1D548D548-L550 VanDerWaalsContact C-N 3.27Å; D548-L550 PolarHBondContact O-N 2.82Å; D548-L550 PolarHBondContact OD1-N 2.71Å
551N64.1Low72.4Confident114 Ų11473.8 Ų73.861%0.6141%0.406SS*.SBendtrans-97.18178-66.9-45.8000113.3D548 D553D548-N551 PolarHBondContact OD1-N 3.38Å; D548-N551 VanDerWaalsContact OD1-N 3.1Å; D548-N551 WeakPolarHBondContact OD2-CB 3.29Å; D548-N551 PolarHBondContact OD2-ND2 2.88Å; N551-D553 PolarHBondContact O-N 3.4Å
552F70.8Confident72.1Confident36 Ų3670.8 Ų70.816%0.15838%0.379CS..  trans-76109.7177.1-178.3-102.5000111S462 A464 L490 L492 T546 D548 K554S462-F552 WeakPolarHBondContact OG-CZ 3.25Å; A464-F552 HydrophobicContact CB-CE1 3.83Å; A464-F552 HydrophobicContact CB-CZ 3.85Å; L490-F552 HydrophobicContact CD1-CE2 4.29Å; L490-F552 HydrophobicContact CD2-CD2 3.89Å; L490-F552 HydrophobicContact CD2-CE2 3.39Å; L490-F552 HydrophobicContact CD2-CZ 4Å; L490-F552 HydrophobicContact CG-CD2 4.23Å; L490-F552 HydrophobicContact CG-CE2 3.59Å; L490-F552 HydrophobicContact CG-CZ 4.42Å; L492-F552 HydrophobicContact CB-CD2 3.47Å; L492-F552 VanDerWaalsContact CB-CD2 3.47Å; L492-F552 HydrophobicContact CB-CE1 4.46Å; L492-F552 HydrophobicContact CB-CE2 3.31Å; L492-F552 HydrophobicContact CB-CG 4.09Å; L492-F552 HydrophobicContact CB-CZ 3.87Å; L492-F552 HydrophobicContact CD1-CB 4.39Å; L492-F552 HydrophobicContact CD1-CD2 4.29Å; L492-F552 HydrophobicContact CD1-CG 4.47Å; L492-F552 HydrophobicContact CD2-CB 4.04Å; L492-F552 HydrophobicContact CD2-CD1 3.83Å; L492-F552 HydrophobicContact CD2-CD2 4Å; L492-F552 HydrophobicContact CD2-CE1 4.2Å; L492-F552 HydrophobicContact CD2-CE2 4.32Å; L492-F552 HydrophobicContact CD2-CG 3.7Å; L492-F552 HydrophobicContact CD2-CZ 4.42Å; L492-F552 HydrophobicContact CG-CD2 4.13Å; L492-F552 HydrophobicContact CG-CE2 4.36Å; L492-F552 HydrophobicContact CG-CG 4.31Å; T546-F552 HydrophobicContact CG2-CD2 3.97Å; D548-F552 WeakPolarHBondContact O-CB 3.49Å; D548-F552 PolarHBondContact O-N 3.4Å; F552-K554 HydrophobicContact CD1-CG 4.24Å; F552-K554 HydrophobicContact CE1-CD 4.27Å; F552-K554 HydrophobicContact CE1-CG 3.43Å; F552-K554 VanDerWaalsContact CE1-CG 3.43Å; F552-K554 HydrophobicContact CZ-CG 4Å
553D66.3Low71.3Confident80 Ų8070.2 Ų70.243%0.42838%0.376SS..  trans-118.6117.7172.9-1761000110.4L490 N551 D555 M556L490-D553 WeakPolarHBondContact CD2-O 3.42Å; N551-D553 PolarHBondContact O-N 3.4Å; D553-D555 PolarHBondContact O-N 2.9Å; D553-D555 WeakPolarHBondContact OD1-CB 3.48Å; D553-D555 PolarHBondContact OD1-N 3.17Å; D553-M556 HydrophobicContact CB-CG 3.97Å; D553-M556 HydrophobicContact CB-SD 4.37Å; D553-M556 WeakPolarHBondContact O-CB 3.47Å; D553-M556 WeakPolarHBondContact O-CG 3.37Å; D553-M556 PolarHBondContact O-N 3.19Å
554K62.6Low70.2Confident34 Ų3473.7 Ų73.715%0.14840%0.395CS..G310 helixtrans-65.3-25.5180-61.3173.9-173.8169.30111.2D407 F552 M556D407-K554 IonicContact OD2-NZ 3.06Å; D407-K554 PolarHBondContact OD2-NZ 3.01Å; F552-K554 HydrophobicContact CD1-CG 4.24Å; F552-K554 HydrophobicContact CE1-CD 4.27Å; F552-K554 HydrophobicContact CE1-CG 3.43Å; F552-K554 VanDerWaalsContact CE1-CG 3.43Å; F552-K554 HydrophobicContact CZ-CG 4Å; K554-M556 PolarHBondContact O-N 3.14Å
555D57.9Low68.9Low96 Ų9672.7 Ų72.751%0.51339%0.385SS..G310 helixtrans-74.3-8.1-179.6-69.8-21000113.2D553 V557D553-D555 PolarHBondContact O-N 2.9Å; D553-D555 WeakPolarHBondContact OD1-CB 3.48Å; D553-D555 PolarHBondContact OD1-N 3.17Å; D555-V557 PolarHBondContact O-N 3.34Å; D555-V557 VanDerWaalsContact O-N 3.13Å
556M54.4Low67.4Low141 Ų14174.7 Ų74.770%0.69540%0.396SS*.G310 helixtrans-64.6-14.8176.6-69-173.469.700113.9D553 K554D553-M556 HydrophobicContact CB-CG 3.97Å; D553-M556 HydrophobicContact CB-SD 4.37Å; D553-M556 WeakPolarHBondContact O-CB 3.47Å; D553-M556 WeakPolarHBondContact O-CG 3.37Å; D553-M556 PolarHBondContact O-N 3.19Å; K554-M556 PolarHBondContact O-N 3.14Å
557V54.9Low65.8Low10 Ų1078.1 Ų78.16%0.06141%0.412CS..  trans-108.4-20.1-165.2-165.80000113.9K461 R489 L490 D555K461-V557 HydrophobicContact CB-CB 4.49Å; K461-V557 HydrophobicContact CB-CG1 3.76Å; K461-V557 HydrophobicContact CD-CG1 4.48Å; K461-V557 HydrophobicContact CG-CG1 4.42Å; R489-V557 HydrophobicContact CB-CG1 3.51Å; R489-V557 HydrophobicContact CG-CG1 3.7Å; R489-V557 PolarHBondContact NH1-O 2.6Å; L490-V557 HydrophobicContact CB-CG2 3.4Å; L490-V557 VanDerWaalsContact CB-CG2 3.4Å; L490-V557 HydrophobicContact CD2-CG2 3.75Å; L490-V557 HydrophobicContact CG-CG2 4.2Å; D555-V557 PolarHBondContact O-N 3.34Å; D555-V557 VanDerWaalsContact O-N 3.13Å
558D50.1Low64.2Low82 Ų8280.3 Ų80.344%0.43942%0.416SS..  trans-91.50178.8-75-24.7000111.7R65 H434 K461R65-D558 VanDerWaalsContact CZ-OXT 3.25Å; R65-D558 PolarHBondContact NH1-OXT 3.27Å; R65-D558 PolarHBondContact NH2-OXT 3.18Å; H434-D558 IonicContact CD2-OD2 3.83Å; H434-D558 IonicContact CE1-OD1 3.6Å; H434-D558 IonicContact CE1-OD2 2.9Å; H434-D558 PolarHBondContact CE1-OD2 3.34Å; H434-D558 IonicContact NE2-OD1 3.86Å; H434-D558 PolarHBondContact NE2-OD1 3.27Å; H434-D558 IonicContact NE2-OD2 2.93Å; H434-D558 PolarHBondContact NE2-OD2 3.46Å; K461-D558 WeakPolarHBondContact CD-OD1 3.48Å; K461-D558 IonicContact NZ-OD1 3.56Å; K461-D558 PolarHBondContact NZ-OD1 2.96Å

Retrieved 558 of 558 residues in 2225.9 ms (Link to these results)

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