A0A087X1Y9_HUMAN Loading...

Matrix metallopeptidase 28

AlphaFold DB , UniProt , Accession A0A087X1Y9, Species HUMAN (Homo sapiens, Human), Gene MMP28, Length 189 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
1K76.4Confident67.7Low116 Ų11697.3 Ų97.350%0.50448%0.484SS..  0-68.90-167.7165.3176.3170.20111.3G3 K80 G87K1-G3 VanDerWaalsContact C-N 3.32Å; K1-G3 PolarHBondContact O-N 3.28Å; K1-K80 VanDerWaalsContact O-CD 3.29Å; K1-K80 WeakPolarHBondContact O-CD 3.39Å; K1-K80 WeakPolarHBondContact O-CE 3.33Å; K1-K80 PolarHBondContact O-NZ 3.37Å; K1-G87 PolarHBondContact NZ-O 3.43Å
2Y84.7Confident66.9Low36 Ų3692.6 Ų92.614%0.14147%0.472CS..  trans-77.93-170.8-54.9-69.6000117.8R49 C50 T53 D54Y2-R49 HydrophobicContact CE1-CG 4.16Å; Y2-C50 WeakPolarHBondContact CE1-O 3.27Å; Y2-T53 WeakPolarHBondContact O-CA 3.49Å; Y2-D54 WeakPolarHBondContact CB-OD2 3.38Å; Y2-D54 PolarHBondContact O-N 3.26Å
3G82.9Confident66.2Low29 Ų2993.2 Ų93.230%0.29949%0.486SS..SBendtrans102-1.2170.200000116.1K1K1-G3 VanDerWaalsContact C-N 3.32Å; K1-G3 PolarHBondContact O-N 3.28Å
4Y81.9Confident65.7Low46 Ų4695.9 Ų95.918%0.1851%0.509CS..SBendtrans-72.7-24.2178.7-57.9-72.3000115.1A21 A24 F25 V28 D54Y4-A21 VanDerWaalsContact O-CB 3.25Å; Y4-A21 WeakPolarHBondContact O-CB 3.08Å; Y4-A24 HydrophobicContact CD1-CB 3.68Å; Y4-A24 VanDerWaalsContact CE1-C 3.48Å; Y4-A24 HydrophobicContact CE1-CB 3.79Å; Y4-F25 HydrophobicContact CD1-CB 4.39Å; Y4-F25 HydrophobicContact CD2-CB 4.3Å; Y4-F25 HydrophobicContact CD2-CD2 4.34Å; Y4-F25 HydrophobicContact CE1-CB 4.17Å; Y4-F25 HydrophobicContact CE2-CB 4.09Å; Y4-F25 AromaticContact CE2-CD2 3.75Å; Y4-F25 HydrophobicContact CE2-CD2 3.75Å; Y4-F25 HydrophobicContact CE2-CG 4.42Å; Y4-F25 HydrophobicContact CG-CB 4.43Å; Y4-V28 WeakPolarHBondContact OH-CB 3.34Å; Y4-D54 HydrophobicContact CE1-CB 4.13Å; Y4-D54 HydrophobicContact CE2-CB 4.13Å; Y4-D54 WeakPolarHBondContact CE2-OD2 3.48Å; Y4-D54 VanDerWaalsContact CZ-OD2 3.26Å; Y4-D54 WeakPolarHBondContact OH-CB 3.21Å; Y4-D54 PolarHBondContact OH-OD2 2.96Å
5L81Confident66.1Low84 Ų8491.6 Ų91.644%0.4449%0.489SS..SBendtrans-131.6137.7179-66.6171.2000109.9F18 A21L5-F18 HydrophobicContact CD1-CD2 3.97Å; L5-F18 HydrophobicContact CD1-CE2 4.08Å; L5-F18 HydrophobicContact CD2-CD2 4.38Å; L5-A21 HydrophobicContact CD2-CB 3.49Å; L5-A21 VanDerWaalsContact CD2-CB 3.49Å; L5-A21 HydrophobicContact CG-CB 3.86Å
6N68.1Low66.9Low96 Ų9692.4 Ų92.451%0.51350%0.499SS..  trans-95.3150.4172.6-168.412.8000110.5Q8 V9N6-Q8 PolarHBondContact O-N 2.79Å; N6-Q8 VanDerWaalsContact O-N 3.13Å; N6-V9 HydrophobicContact CB-CG2 4.34Å; N6-V9 PolarHBondContact O-N 2.75Å
7E57.9Low67.6Low179 Ų17997.1 Ų97.184%0.83651%0.508SS*.THydrogen-bonded Turntrans-63.4-19-174.4-75.7168.7175.800113.9V9E7-V9 VanDerWaalsContact C-N 3.33Å; E7-V9 PolarHBondContact O-N 2.71Å
8Q54.4Low68.5Low162 Ų16293.9 Ų93.976%0.75749%0.489SS*.THydrogen-bonded Turntrans-87.27.4-178.5-64.9178.8-17.900114.3N6N6-Q8 PolarHBondContact O-N 2.79Å; N6-Q8 VanDerWaalsContact O-N 3.13Å
9V53.2Low69.4Low32 Ų3290.2 Ų90.219%0.19447%0.472CS..SBendtrans-104.5133.8-173.5-172.80000110.6N6 E7 K11 R17N6-V9 HydrophobicContact CB-CG2 4.34Å; N6-V9 PolarHBondContact O-N 2.75Å; E7-V9 VanDerWaalsContact C-N 3.33Å; E7-V9 PolarHBondContact O-N 2.71Å; V9-K11 PolarHBondContact O-N 3.35Å; V9-R17 HydrophobicContact CG1-CB 4.32Å
10P50.3Low70.2Confident93 Ų9389.3 Ų89.360%0.60447%0.468SS*.  trans-55122.7171.4-22.131.9000110A12P10-A12 PolarHBondContact O-N 2.7Å
11K53.9Low70.9Confident197 Ų19785.5 Ų85.586%0.85745%0.449SS*.  trans-70.715179.3-64.8177.2-178.3171.70113.3V9V9-K11 PolarHBondContact O-N 3.35Å
12A58.6Low71.5Confident41 Ų4180.3 Ų80.334%0.33943%0.427SS..  trans-66.9124.8-178.600000109.5P10 T14 S15P10-A12 PolarHBondContact O-N 2.7Å; A12-T14 PolarHBondContact O-N 2.82Å; A12-T14 VanDerWaalsContact O-N 3.09Å; A12-S15 PolarHBondContact O-N 3.43Å; A12-S15 VanDerWaalsContact O-N 3.14Å; A12-S15 PolarHBondContact O-OG 3.47Å; A12-S15 VanDerWaalsContact O-OG 3.07Å
13P57.9Low71.7Confident101 Ų10182.7 Ų82.766%0.65644%0.435SS*.THydrogen-bonded Turntrans-64.5-13.7-177.323.7-31.8000113.4F18P13-F18 HydrophobicContact CB-CD1 4.37Å; P13-F18 HydrophobicContact CB-CE1 4.24Å
14T58.8Low71.8Confident131 Ų13181.5 Ų81.580%0.80442%0.423SS*.THydrogen-bonded Turntrans-86.2-2.5177.845.40000114.4A12A12-T14 PolarHBondContact O-N 2.82Å; A12-T14 VanDerWaalsContact O-N 3.09Å
15S71.8Confident72.2Confident31 Ų3179.6 Ų79.622%0.21742%0.415CS..  trans-79.3136.8179.5670000112.1A12 R17 F18 S19A12-S15 PolarHBondContact O-N 3.43Å; A12-S15 VanDerWaalsContact O-N 3.14Å; A12-S15 PolarHBondContact O-OG 3.47Å; A12-S15 VanDerWaalsContact O-OG 3.07Å; S15-R17 PolarHBondContact O-N 3.07Å; S15-F18 WeakPolarHBondContact O-CB 3.46Å; S15-F18 PolarHBondContact O-N 3.47Å; S15-F18 VanDerWaalsContact OG-CB 3.24Å; S15-F18 WeakPolarHBondContact OG-CB 3.32Å; S15-F18 PolarHBondContact OG-N 3.08Å; S15-S19 PolarHBondContact O-N 3.35Å; S15-S19 VanDerWaalsContact O-N 3.15Å
16T78.4Confident72.6Confident104 Ų10475.6 Ų75.664%0.63839%0.394SS*.Hα-helixtrans-51.6-41173.7-45.80000111.2F18 S19 D20T16-F18 VanDerWaalsContact C-N 3.32Å; T16-F18 PolarHBondContact O-N 3.45Å; T16-S19 PolarHBondContact O-N 2.81Å; T16-S19 VanDerWaalsContact O-N 3.11Å; T16-S19 PolarHBondContact O-OG 2.95Å; T16-D20 VanDerWaalsContact O-CG 3.28Å; T16-D20 PolarHBondContact O-N 2.95Å
17R78.8Confident73.5Confident172 Ų17275.5 Ų75.565%0.64939%0.387SS*.Hα-helixtrans-59.7-38.1176.6-66.4-177.7179.4177.40.9113.4V9 S15 A21V9-R17 HydrophobicContact CG1-CB 4.32Å; S15-R17 PolarHBondContact O-N 3.07Å; R17-A21 WeakPolarHBondContact O-CB 3Å; R17-A21 PolarHBondContact O-N 2.86Å
18F84.3Confident74.9Confident41 Ų4167.2 Ų67.218%0.1835%0.349CS..Hα-helixtrans-67.5-44.9175.1-175.2-101.6000110.6L5 P13 S15 T16 D20 A21 I22L5-F18 HydrophobicContact CD1-CD2 3.97Å; L5-F18 HydrophobicContact CD1-CE2 4.08Å; L5-F18 HydrophobicContact CD2-CD2 4.38Å; P13-F18 HydrophobicContact CB-CD1 4.37Å; P13-F18 HydrophobicContact CB-CE1 4.24Å; S15-F18 WeakPolarHBondContact O-CB 3.46Å; S15-F18 PolarHBondContact O-N 3.47Å; S15-F18 VanDerWaalsContact OG-CB 3.24Å; S15-F18 WeakPolarHBondContact OG-CB 3.32Å; S15-F18 PolarHBondContact OG-N 3.08Å; T16-F18 VanDerWaalsContact C-N 3.32Å; T16-F18 PolarHBondContact O-N 3.45Å; F18-D20 VanDerWaalsContact C-N 3.32Å; F18-D20 PolarHBondContact O-N 2.87Å; F18-A21 WeakPolarHBondContact O-CB 2.94Å; F18-A21 PolarHBondContact O-N 2.91Å; F18-I22 HydrophobicContact CD1-CG1 4.35Å; F18-I22 HydrophobicContact CE1-CD1 4.4Å; F18-I22 HydrophobicContact CE1-CG1 4.07Å; F18-I22 HydrophobicContact CZ-CD1 4.2Å; F18-I22 HydrophobicContact CZ-CG1 4.35Å; F18-I22 WeakPolarHBondContact O-CG1 3.46Å; F18-I22 PolarHBondContact O-N 3.39Å
19S85.4Confident76.5Confident23 Ų2360 Ų6016%0.16132%0.316CS..Hα-helixtrans-60.8-39.6176.975.50000112.5S15 T16 I22 R23 G35S15-S19 PolarHBondContact O-N 3.35Å; S15-S19 VanDerWaalsContact O-N 3.15Å; T16-S19 PolarHBondContact O-N 2.81Å; T16-S19 VanDerWaalsContact O-N 3.11Å; T16-S19 PolarHBondContact O-OG 2.95Å; S19-I22 PolarHBondContact O-N 2.86Å; S19-R23 WeakPolarHBondContact O-CG 3.14Å; S19-R23 PolarHBondContact O-N 3.34Å; S19-R23 PolarHBondContact OG-NH1 3.26Å; S19-G35 WeakPolarHBondContact O-CA 2.74Å
20D84.9Confident78.1Confident72 Ų7262.5 Ų62.539%0.38533%0.326SS..Hα-helixtrans-68.1-38177.3-64.8-28.2000112.4T16 F18 I22 R23 A24T16-D20 VanDerWaalsContact O-CG 3.28Å; T16-D20 PolarHBondContact O-N 2.95Å; F18-D20 VanDerWaalsContact C-N 3.32Å; F18-D20 PolarHBondContact O-N 2.87Å; D20-I22 VanDerWaalsContact C-N 3.28Å; D20-I22 PolarHBondContact O-N 2.77Å; D20-R23 PolarHBondContact O-N 3.37Å; D20-R23 IonicContact OD1-CZ 3.03Å; D20-R23 IonicContact OD1-NH1 3.95Å; D20-R23 PolarHBondContact OD1-NH1 3.02Å; D20-A24 WeakPolarHBondContact O-CB 3.3Å; D20-A24 PolarHBondContact O-N 3.18Å
21A85.9Confident80Confident9 Ų959.4 Ų59.47%0.07430%0.304CS..Hα-helixtrans-60.8-39.5172.500000111.7Y4 L5 R17 F18 F25Y4-A21 VanDerWaalsContact O-CB 3.25Å; Y4-A21 WeakPolarHBondContact O-CB 3.08Å; L5-A21 HydrophobicContact CD2-CB 3.49Å; L5-A21 VanDerWaalsContact CD2-CB 3.49Å; L5-A21 HydrophobicContact CG-CB 3.86Å; R17-A21 WeakPolarHBondContact O-CB 3Å; R17-A21 PolarHBondContact O-N 2.86Å; F18-A21 WeakPolarHBondContact O-CB 2.94Å; F18-A21 PolarHBondContact O-N 2.91Å; A21-F25 PolarHBondContact O-N 2.71Å
22I89.2Confident81.8Confident7 Ų754.9 Ų54.94%0.03630%0.295CS..Hα-helixtrans-67.4-44.1174.5-61.9-53.7000111.1F18 S19 D20 A24 F25 Q26 L37 T41 M45F18-I22 HydrophobicContact CD1-CG1 4.35Å; F18-I22 HydrophobicContact CE1-CD1 4.4Å; F18-I22 HydrophobicContact CE1-CG1 4.07Å; F18-I22 HydrophobicContact CZ-CD1 4.2Å; F18-I22 HydrophobicContact CZ-CG1 4.35Å; F18-I22 WeakPolarHBondContact O-CG1 3.46Å; F18-I22 PolarHBondContact O-N 3.39Å; S19-I22 PolarHBondContact O-N 2.86Å; D20-I22 VanDerWaalsContact C-N 3.28Å; D20-I22 PolarHBondContact O-N 2.77Å; I22-A24 VanDerWaalsContact C-N 3.31Å; I22-A24 PolarHBondContact O-N 2.99Å; I22-F25 PolarHBondContact O-N 2.65Å; I22-Q26 HydrophobicContact CG2-CG 4.14Å; I22-Q26 WeakPolarHBondContact O-CB 3.2Å; I22-Q26 VanDerWaalsContact O-CG 3.29Å; I22-Q26 WeakPolarHBondContact O-CG 3.34Å; I22-Q26 PolarHBondContact O-N 3.06Å; I22-L37 HydrophobicContact CD1-CD1 3.94Å; I22-T41 HydrophobicContact CG2-CG2 4.27Å; I22-M45 HydrophobicContact CD1-CE 3.82Å
23R87.7Confident83.3Confident86 Ų8656.3 Ų56.333%0.32530%0.299SS..Hα-helixtrans-57.3-45.2175.8-70.1-177.1-172.396.39.9111.7S19 D20 F25 Q26 W27 V33S19-R23 WeakPolarHBondContact O-CG 3.14Å; S19-R23 PolarHBondContact O-N 3.34Å; S19-R23 PolarHBondContact OG-NH1 3.26Å; D20-R23 PolarHBondContact O-N 3.37Å; D20-R23 IonicContact OD1-CZ 3.03Å; D20-R23 IonicContact OD1-NH1 3.95Å; D20-R23 PolarHBondContact OD1-NH1 3.02Å; R23-F25 PolarHBondContact O-N 3.2Å; R23-Q26 PolarHBondContact O-N 3.36Å; R23-W27 WeakPolarHBondContact O-CB 2.93Å; R23-W27 PolarHBondContact O-N 2.84Å; R23-V33 HydrophobicContact CB-CG1 3.64Å; R23-V33 HydrophobicContact CG-CG1 3.71Å
24A85.1Confident84.9Confident4 Ų453.9 Ų53.93%0.03328%0.284CS..Hα-helixtrans-63-41.9177.600000112.1Y4 D20 I22 V28 Y58Y4-A24 HydrophobicContact CD1-CB 3.68Å; Y4-A24 VanDerWaalsContact CE1-C 3.48Å; Y4-A24 HydrophobicContact CE1-CB 3.79Å; D20-A24 WeakPolarHBondContact O-CB 3.3Å; D20-A24 PolarHBondContact O-N 3.18Å; I22-A24 VanDerWaalsContact C-N 3.31Å; I22-A24 PolarHBondContact O-N 2.99Å; A24-V28 WeakPolarHBondContact O-CG2 3.42Å; A24-V28 PolarHBondContact O-N 2.76Å; A24-Y58 HydrophobicContact CB-CD2 3.69Å; A24-Y58 HydrophobicContact CB-CE2 3.83Å
25F90.1Very high86.3Confident6 Ų648 Ų483%0.02625%0.25CC..Hα-helixtrans-63.3-45.5174.4172.4-91.5000112.1Y4 A21 I22 R23 V28 S29 L31 T41 Q44 M45 Y145Y4-F25 HydrophobicContact CD1-CB 4.39Å; Y4-F25 HydrophobicContact CD2-CB 4.3Å; Y4-F25 HydrophobicContact CD2-CD2 4.34Å; Y4-F25 HydrophobicContact CE1-CB 4.17Å; Y4-F25 HydrophobicContact CE2-CB 4.09Å; Y4-F25 AromaticContact CE2-CD2 3.75Å; Y4-F25 HydrophobicContact CE2-CD2 3.75Å; Y4-F25 HydrophobicContact CE2-CG 4.42Å; Y4-F25 HydrophobicContact CG-CB 4.43Å; A21-F25 PolarHBondContact O-N 2.71Å; I22-F25 PolarHBondContact O-N 2.65Å; R23-F25 PolarHBondContact O-N 3.2Å; F25-V28 PolarHBondContact O-N 3.07Å; F25-S29 WeakPolarHBondContact CE2-OG 3.3Å; F25-S29 WeakPolarHBondContact CZ-OG 3.26Å; F25-S29 WeakPolarHBondContact O-CB 3.36Å; F25-S29 PolarHBondContact O-N 2.7Å; F25-S29 PolarHBondContact O-OG 3.03Å; F25-L31 HydrophobicContact CE1-CD1 4.08Å; F25-T41 HydrophobicContact CD1-CG2 3.76Å; F25-T41 HydrophobicContact CE1-CG2 3.79Å; F25-Q44 HydrophobicContact CE1-CB 4.27Å; F25-Q44 HydrophobicContact CE1-CG 4.38Å; F25-Q44 HydrophobicContact CZ-CB 4.22Å; F25-Q44 HydrophobicContact CZ-CG 4.13Å; F25-M45 HydrophobicContact CB-CE 4.5Å; F25-M45 HydrophobicContact CD1-CE 3.7Å; F25-M45 HydrophobicContact CD1-CG 4.31Å; F25-M45 HydrophobicContact CD2-CE 4.26Å; F25-M45 HydrophobicContact CD2-CG 4.49Å; F25-M45 HydrophobicContact CE1-CE 3.94Å; F25-M45 HydrophobicContact CE1-CG 3.6Å; F25-M45 HydrophobicContact CE2-CE 4.45Å; F25-M45 HydrophobicContact CE2-CG 3.79Å; F25-M45 HydrophobicContact CG-CE 3.87Å; F25-M45 HydrophobicContact CZ-CB 4.19Å; F25-M45 HydrophobicContact CZ-CE 4.31Å; F25-M45 HydrophobicContact CZ-CG 3.29Å; F25-Y145 WeakPolarHBondContact CE2-OH 3.43Å; F25-Y145 WeakPolarHBondContact CZ-OH 3.21Å
26Q91Very high87.2Confident0 Ų050.7 Ų50.70%027%0.265CS..Hα-helixtrans-61.3-45.2-179.9-75.5170-25.800111I22 R23 S29 Q30 L31 P32 V33 S34 V36 T41I22-Q26 HydrophobicContact CG2-CG 4.14Å; I22-Q26 WeakPolarHBondContact O-CB 3.2Å; I22-Q26 VanDerWaalsContact O-CG 3.29Å; I22-Q26 WeakPolarHBondContact O-CG 3.34Å; I22-Q26 PolarHBondContact O-N 3.06Å; R23-Q26 PolarHBondContact O-N 3.36Å; Q26-S29 CarbonylContact O-C 3.57Å; Q26-S29 PolarHBondContact O-N 3.01Å; Q26-Q30 PolarHBondContact O-N 3.46Å; Q26-L31 HydrophobicContact CB-CB 3.95Å; Q26-L31 HydrophobicContact CG-CB 4.02Å; Q26-L31 HydrophobicContact CG-CD1 4.22Å; Q26-L31 PolarHBondContact O-N 3.22Å; Q26-P32 PolarHBondContact OE1-O 2.74Å; Q26-V33 HydrophobicContact CB-CG2 4.4Å; Q26-S34 PolarHBondContact NE2-OG 3.41Å; Q26-V36 PolarHBondContact NE2-O 2.97Å; Q26-T41 HydrophobicContact CG-CG2 4.2Å; Q26-T41 PolarHBondContact NE2-OG1 3.37Å
27W87Confident87.8Confident95 Ų9549 Ų4936%0.3625%0.252SS..Hα-helixtrans-58-53.9176.8177.5-97.5000112.6R23 S29 Q30 V33 W61R23-W27 WeakPolarHBondContact O-CB 2.93Å; R23-W27 PolarHBondContact O-N 2.84Å; W27-S29 PolarHBondContact O-N 3.34Å; W27-Q30 PolarHBondContact O-N 3.05Å; W27-Q30 VanDerWaalsContact O-N 3.09Å; W27-V33 HydrophobicContact CB-CG2 4.1Å; W27-V33 HydrophobicContact CE3-CG2 4.03Å; W27-W61 AromaticContact CD1-CD1 3.58Å; W27-W61 AromaticContact CD1-CG 3.97Å; W27-W61 AromaticContact CD2-CD1 3.76Å; W27-W61 AromaticContact CD2-NE1 3.61Å; W27-W61 AromaticContact CE2-CD1 3.31Å; W27-W61 AromaticContact CE2-NE1 3.62Å; W27-W61 AromaticContact CG-CD1 3.93Å; W27-W61 AromaticContact CG-NE1 3.89Å; W27-W61 AromaticContact CZ2-CD1 3.79Å; W27-W61 AromaticContact NE1-CD1 3.2Å; W27-W61 AromaticContact NE1-CG 3.87Å; W27-W61 AromaticContact NE1-NE1 3.87Å
28V86.4Confident88.4Confident5 Ų543.4 Ų43.43%0.0323%0.234CC..Hα-helixtrans-64.5-30.6-179.6170.20000111.7Y4 A24 F25 D54 P144Y4-V28 WeakPolarHBondContact OH-CB 3.34Å; A24-V28 WeakPolarHBondContact O-CG2 3.42Å; A24-V28 PolarHBondContact O-N 2.76Å; F25-V28 PolarHBondContact O-N 3.07Å; V28-D54 HydrophobicContact CG1-CB 4.46Å; V28-P144 HydrophobicContact CG1-CG 3.8Å
29S88.3Confident88.9Confident9 Ų951.3 Ų51.36%0.06326%0.263CS..THydrogen-bonded Turntrans-91.55.3178-51.20000113.9F25 Q26 W27 L31 Y145F25-S29 WeakPolarHBondContact CE2-OG 3.3Å; F25-S29 WeakPolarHBondContact CZ-OG 3.26Å; F25-S29 WeakPolarHBondContact O-CB 3.36Å; F25-S29 PolarHBondContact O-N 2.7Å; F25-S29 PolarHBondContact O-OG 3.03Å; Q26-S29 CarbonylContact O-C 3.57Å; Q26-S29 PolarHBondContact O-N 3.01Å; W27-S29 PolarHBondContact O-N 3.34Å; S29-L31 VanDerWaalsContact C-N 3.31Å; S29-L31 PolarHBondContact O-N 3.27Å; S29-Y145 WeakPolarHBondContact OG-CE2 3.26Å; S29-Y145 PolarHBondContact OG-OH 3.21Å
30Q87.5Confident89.2Confident86 Ų8651.6 Ų51.640%0.40227%0.267SS..THydrogen-bonded Turntrans53.843.8-179.1-60.2154.631.600114.1Q26 W27 P136 A137 P138Q26-Q30 PolarHBondContact O-N 3.46Å; W27-Q30 PolarHBondContact O-N 3.05Å; W27-Q30 VanDerWaalsContact O-N 3.09Å; Q30-P136 VanDerWaalsContact CD-O 3.3Å; Q30-P136 WeakPolarHBondContact CG-O 2.85Å; Q30-P136 PolarHBondContact NE2-O 3.31Å; Q30-A137 VanDerWaalsContact NE2-C 3.27Å; Q30-P138 VanDerWaalsContact CD-CD 3.49Å; Q30-P138 VanDerWaalsContact NE2-CD 3.33Å
31L89.6Confident89.6Confident27 Ų2748.2 Ų48.214%0.14125%0.249CC..  trans-98.5155.5168.6-60.2174.9000109.2F25 Q26 S29 V33 A40 T41 Q44F25-L31 HydrophobicContact CE1-CD1 4.08Å; Q26-L31 HydrophobicContact CB-CB 3.95Å; Q26-L31 HydrophobicContact CG-CB 4.02Å; Q26-L31 HydrophobicContact CG-CD1 4.22Å; Q26-L31 PolarHBondContact O-N 3.22Å; S29-L31 VanDerWaalsContact C-N 3.31Å; S29-L31 PolarHBondContact O-N 3.27Å; L31-V33 PolarHBondContact O-N 3.34Å; L31-A40 HydrophobicContact CD2-CB 4.44Å; L31-T41 HydrophobicContact CD1-CG2 4.38Å; L31-Q44 HydrophobicContact CD1-CB 3.81Å; L31-Q44 HydrophobicContact CD1-CG 4.07Å; L31-Q44 HydrophobicContact CD2-CB 4.45Å; L31-Q44 HydrophobicContact CD2-CG 4.5Å; L31-Q44 HydrophobicContact CG-CG 4.4Å
32P91.1Very high89.9Confident103 Ų10351.7 Ų51.767%0.66927%0.266SS*.  trans-50.7124.8166.4-25.735.2000110.5Q26 S34Q26-P32 PolarHBondContact OE1-O 2.74Å; P32-S34 PolarHBondContact O-N 2.8Å; P32-S34 VanDerWaalsContact O-N 3.08Å
33V90.1Very high90Very high71 Ų7158.8 Ų58.843%0.4329%0.292SS..  trans-79.895.3-176.6-177.40000108.9R23 Q26 W27 L31R23-V33 HydrophobicContact CB-CG1 3.64Å; R23-V33 HydrophobicContact CG-CG1 3.71Å; Q26-V33 HydrophobicContact CB-CG2 4.4Å; W27-V33 HydrophobicContact CB-CG2 4.1Å; W27-V33 HydrophobicContact CE3-CG2 4.03Å; L31-V33 PolarHBondContact O-N 3.34Å
34S90.8Very high90.1Very high49 Ų4955.8 Ų55.834%0.34328%0.282SS..  trans-106.5-26.6177.863.30000112.4Q26 P32 V36Q26-S34 PolarHBondContact NE2-OG 3.41Å; P32-S34 PolarHBondContact O-N 2.8Å; P32-S34 VanDerWaalsContact O-N 3.08Å; S34-V36 PolarHBondContact O-N 2.83Å; S34-V36 PolarHBondContact OG-N 2.71Å; S34-V36 VanDerWaalsContact OG-N 3.12Å; S34-V36 PolarHBondContact OG-O 3.24Å
35G88.7Confident90.4Very high8 Ų859.1 Ų59.18%0.08230%0.298CS..SBendtrans73.17.1-167.400000113.7S19S19-G35 WeakPolarHBondContact O-CA 2.74Å
36V91.6Very high90.3Very high87 Ų8764.1 Ų64.153%0.52733%0.329SS..SBendtrans-104.7136.3-179.5-178.70000109.7Q26 S34 D38Q26-V36 PolarHBondContact NE2-O 2.97Å; S34-V36 PolarHBondContact O-N 2.83Å; S34-V36 PolarHBondContact OG-N 2.71Å; S34-V36 VanDerWaalsContact OG-N 3.12Å; S34-V36 PolarHBondContact OG-O 3.24Å; V36-D38 PolarHBondContact O-N 3.48Å
37L90.2Very high90.2Very high70 Ų7070.3 Ų70.337%0.36635%0.352SS..  trans-76.967.7176-168.664.8000110.9I22 T41 L42 M45I22-L37 HydrophobicContact CD1-CD1 3.94Å; L37-T41 HydrophobicContact CD1-CG2 3.88Å; L37-L42 HydrophobicContact CD1-CD2 3.75Å; L37-L42 HydrophobicContact CD1-CG 4.08Å; L37-L42 HydrophobicContact CD2-CD2 3.88Å; L37-L42 HydrophobicContact CG-CD1 4.44Å; L37-L42 HydrophobicContact CG-CD2 3.71Å; L37-L42 HydrophobicContact CG-CG 3.91Å; L37-M45 HydrophobicContact CD1-CE 3.89Å; L37-M45 HydrophobicContact CD1-SD 3.87Å
38D91.6Very high90.2Very high54 Ų5468.7 Ų68.729%0.28935%0.354SS..  trans-76.8172.4179.965.525.7000112.8V36 A40 T41 L42V36-D38 PolarHBondContact O-N 3.48Å; D38-A40 PolarHBondContact O-N 3.35Å; D38-A40 PolarHBondContact OD1-N 2.96Å; D38-A40 VanDerWaalsContact OD1-N 3.17Å; D38-T41 WeakPolarHBondContact O-CB 3.48Å; D38-T41 PolarHBondContact O-N 3.1Å; D38-T41 WeakPolarHBondContact OD1-CB 3.15Å; D38-T41 PolarHBondContact OD1-N 3.02Å; D38-T41 PolarHBondContact OD1-OG1 3.07Å; D38-L42 WeakPolarHBondContact O-CG 3.33Å; D38-L42 PolarHBondContact O-N 3.14Å
39R93.8Very high90.4Very high206 Ų20668.5 Ų68.578%0.77735%0.353SS*.Hα-helixtrans-59.6-33.6-179.7-70.8-176174.7178.3-1.3112.7R43R39-R43 WeakPolarHBondContact O-CB 3.45Å; R39-R43 VanDerWaalsContact O-CG 3.3Å; R39-R43 WeakPolarHBondContact O-CG 3.25Å; R39-R43 PolarHBondContact O-N 3.45Å
40A92.8Very high90.5Very high30 Ų3068.1 Ų68.125%0.24835%0.35CS..Hα-helixtrans-69.8-43.417900000111L31 D38 R43 Q44L31-A40 HydrophobicContact CD2-CB 4.44Å; D38-A40 PolarHBondContact O-N 3.35Å; D38-A40 PolarHBondContact OD1-N 2.96Å; D38-A40 VanDerWaalsContact OD1-N 3.17Å; A40-R43 PolarHBondContact O-N 3.18Å; A40-Q44 WeakPolarHBondContact O-CB 3.27Å; A40-Q44 PolarHBondContact O-N 3.05Å
41T92.1Very high90.5Very high0 Ų065 Ų650%034%0.341CS..Hα-helixtrans-59.9-48.5175.2-55.50000111.1I22 F25 Q26 L31 L37 D38 R43 Q44 M45I22-T41 HydrophobicContact CG2-CG2 4.27Å; F25-T41 HydrophobicContact CD1-CG2 3.76Å; F25-T41 HydrophobicContact CE1-CG2 3.79Å; Q26-T41 HydrophobicContact CG-CG2 4.2Å; Q26-T41 PolarHBondContact NE2-OG1 3.37Å; L31-T41 HydrophobicContact CD1-CG2 4.38Å; L37-T41 HydrophobicContact CD1-CG2 3.88Å; D38-T41 WeakPolarHBondContact O-CB 3.48Å; D38-T41 PolarHBondContact O-N 3.1Å; D38-T41 WeakPolarHBondContact OD1-CB 3.15Å; D38-T41 PolarHBondContact OD1-N 3.02Å; D38-T41 PolarHBondContact OD1-OG1 3.07Å; T41-R43 PolarHBondContact O-N 3.31Å; T41-Q44 PolarHBondContact O-N 3.4Å; T41-Q44 VanDerWaalsContact O-N 3.16Å; T41-M45 HydrophobicContact CG2-CE 3.9Å; T41-M45 WeakPolarHBondContact O-CG 3.45Å; T41-M45 PolarHBondContact O-N 2.67Å
42L92.3Very high90.4Very high83 Ų8364.5 Ų64.544%0.43534%0.339SS..Hα-helixtrans-60.7-46.6176.8-73.7170.1000112.2L37 D38 Q44 M45 T46L37-L42 HydrophobicContact CD1-CD2 3.75Å; L37-L42 HydrophobicContact CD1-CG 4.08Å; L37-L42 HydrophobicContact CD2-CD2 3.88Å; L37-L42 HydrophobicContact CG-CD1 4.44Å; L37-L42 HydrophobicContact CG-CD2 3.71Å; L37-L42 HydrophobicContact CG-CG 3.91Å; D38-L42 WeakPolarHBondContact O-CG 3.33Å; D38-L42 PolarHBondContact O-N 3.14Å; L42-Q44 PolarHBondContact O-N 3.1Å; L42-M45 PolarHBondContact O-N 2.69Å; L42-T46 PolarHBondContact O-N 3.05Å
43R91.8Very high90.1Very high156 Ų15662 Ų6259%0.58932%0.322SS*.Hα-helixtrans-60.2-35.7175.5-77.1-170.9-57.8-992.6112.3R39 A40 T41 T46 R47R39-R43 WeakPolarHBondContact O-CB 3.45Å; R39-R43 VanDerWaalsContact O-CG 3.3Å; R39-R43 WeakPolarHBondContact O-CG 3.25Å; R39-R43 PolarHBondContact O-N 3.45Å; A40-R43 PolarHBondContact O-N 3.18Å; T41-R43 PolarHBondContact O-N 3.31Å; R43-T46 PolarHBondContact O-OG1 3.39Å; R43-R47 WeakPolarHBondContact O-CG 3.37Å
44Q90.8Very high89.8Confident22 Ų2258.7 Ų58.710%0.10330%0.302CS..Hα-helixtrans-72.9-36179.2-166.760.530.700111.4F25 L31 A40 T41 L42 T46 R47 Y145F25-Q44 HydrophobicContact CE1-CB 4.27Å; F25-Q44 HydrophobicContact CE1-CG 4.38Å; F25-Q44 HydrophobicContact CZ-CB 4.22Å; F25-Q44 HydrophobicContact CZ-CG 4.13Å; L31-Q44 HydrophobicContact CD1-CB 3.81Å; L31-Q44 HydrophobicContact CD1-CG 4.07Å; L31-Q44 HydrophobicContact CD2-CB 4.45Å; L31-Q44 HydrophobicContact CD2-CG 4.5Å; L31-Q44 HydrophobicContact CG-CG 4.4Å; A40-Q44 WeakPolarHBondContact O-CB 3.27Å; A40-Q44 PolarHBondContact O-N 3.05Å; T41-Q44 PolarHBondContact O-N 3.4Å; T41-Q44 VanDerWaalsContact O-N 3.16Å; L42-Q44 PolarHBondContact O-N 3.1Å; Q44-T46 VanDerWaalsContact C-N 3.25Å; Q44-T46 PolarHBondContact O-N 2.95Å; Q44-R47 PolarHBondContact O-N 3.27Å; Q44-Y145 HydrophobicContact CG-CE1 4.43Å; Q44-Y145 HydrophobicContact CG-CE2 4.2Å; Q44-Y145 VanDerWaalsContact NE2-CD2 3.3Å; Q44-Y145 VanDerWaalsContact NE2-CE1 3.25Å; Q44-Y145 PolarHBondContact O-OH 2.87Å
45M90.4Very high88.8Confident75 Ų7559 Ų5937%0.36930%0.301SS..Hα-helixtrans-64.2-26.3176.1-73.6-178.5174.600113.6I22 F25 L37 T41 L42I22-M45 HydrophobicContact CD1-CE 3.82Å; F25-M45 HydrophobicContact CB-CE 4.5Å; F25-M45 HydrophobicContact CD1-CE 3.7Å; F25-M45 HydrophobicContact CD1-CG 4.31Å; F25-M45 HydrophobicContact CD2-CE 4.26Å; F25-M45 HydrophobicContact CD2-CG 4.49Å; F25-M45 HydrophobicContact CE1-CE 3.94Å; F25-M45 HydrophobicContact CE1-CG 3.6Å; F25-M45 HydrophobicContact CE2-CE 4.45Å; F25-M45 HydrophobicContact CE2-CG 3.79Å; F25-M45 HydrophobicContact CG-CE 3.87Å; F25-M45 HydrophobicContact CZ-CB 4.19Å; F25-M45 HydrophobicContact CZ-CE 4.31Å; F25-M45 HydrophobicContact CZ-CG 3.29Å; L37-M45 HydrophobicContact CD1-CE 3.89Å; L37-M45 HydrophobicContact CD1-SD 3.87Å; T41-M45 HydrophobicContact CG2-CE 3.9Å; T41-M45 WeakPolarHBondContact O-CG 3.45Å; T41-M45 PolarHBondContact O-N 2.67Å; L42-M45 PolarHBondContact O-N 2.69Å
46T88.4Confident87.8Confident110 Ų11060.6 Ų60.668%0.67531%0.308SS*.THydrogen-bonded Turntrans-85.4-6.717860.20000113.6L42 R43 Q44L42-T46 PolarHBondContact O-N 3.05Å; R43-T46 PolarHBondContact O-OG1 3.39Å; Q44-T46 VanDerWaalsContact C-N 3.25Å; Q44-T46 PolarHBondContact O-N 2.95Å
47R89.1Confident86.3Confident130 Ų13057.1 Ų57.149%0.49129%0.288SS..SBendtrans-76.3141.5-179.5-70.6176.470.6-175.82111.4R43 Q44 Y145R43-R47 WeakPolarHBondContact O-CG 3.37Å; Q44-R47 PolarHBondContact O-N 3.27Å; R47-Y145 HydrophobicContact CB-CD1 3.98Å; R47-Y145 HydrophobicContact CB-CE1 3.85Å
48P87.6Confident84.8Confident61 Ų6158.3 Ų58.340%0.39629%0.288SS..  trans-63.1139.617226.2-32.9000110.7L89P48-L89 HydrophobicContact CB-CD1 3.99Å; P48-L89 HydrophobicContact CB-CD2 3.61Å; P48-L89 HydrophobicContact CB-CG 3.87Å
49R90.4Very high83.3Confident2 Ų257.8 Ų57.81%0.00829%0.291CS..  trans-155.7176.9-174.362.6173.7-67.8173.2-10.7111.3Y2 D54 A88 L89 P144 Y145Y2-R49 HydrophobicContact CE1-CG 4.16Å; R49-D54 IonicContact CZ-OD2 3.16Å; R49-D54 IonicContact NH1-OD2 3.07Å; R49-D54 IonicContact NH2-OD1 2.65Å; R49-D54 PolarHBondContact NH2-OD1 3.27Å; R49-D54 IonicContact NH2-OD2 3.2Å; R49-D54 PolarHBondContact NH2-OD2 2.96Å; R49-A88 VanDerWaalsContact O-CA 3.25Å; R49-A88 WeakPolarHBondContact O-CA 3.45Å; R49-L89 PolarHBondContact O-N 3.41Å; R49-P144 WeakPolarHBondContact CA-O 3.38Å; R49-P144 VanDerWaalsContact CB-O 3.26Å; R49-P144 WeakPolarHBondContact CB-O 3.44Å; R49-P144 VanDerWaalsContact CZ-CB 3.5Å; R49-Y145 HydrophobicContact CB-CD1 3.63Å; R49-Y145 HydrophobicContact CB-CE1 3.75Å; R49-Y145 HydrophobicContact CB-CG 4.25Å; R49-Y145 HydrophobicContact CG-CE1 4.16Å; R49-Y145 PolarHBondContact NH1-OH 2.85Å; R49-Y145 VanDerWaalsContact NH1-OH 3.08Å
50C90Very high81.4Confident0 Ų051 Ų510%028%0.279CS..  trans-62.7144.5170.8177.80000112Y2 V52 H124 H134 P144 Y146Y2-C50 WeakPolarHBondContact CE1-O 3.27Å; C50-V52 PolarHBondContact SG-N 3.24Å; C50-V52 VanDerWaalsContact SG-N 3.37Å; C50-H124 VanDerWaalsContact CB-NE2 3.33Å; C50-H124 WeakPolarHBondContact CB-NE2 3.28Å; C50-H124 PolarHBondContact SG-NE2 2.88Å; C50-H124 VanDerWaalsContact SG-NE2 3.42Å; C50-H134 WeakPolarHBondContact CB-NE2 3.29Å; C50-H134 PolarHBondContact SG-NE2 3.43Å; C50-H134 VanDerWaalsContact SG-NE2 3.41Å; C50-P144 PolarHBondContact N-O 3.17Å; C50-Y146 VanDerWaalsContact CA-OH 3.27Å; C50-Y146 WeakPolarHBondContact CA-OH 3.44Å; C50-Y146 HydrophobicContact CB-CE1 4.31Å
51G87.9Confident79.5Confident22 Ų2252.2 Ų52.223%0.22728%0.277CS..  trans-84.3-13.1179.800000115.1A90G51-A90 PolarHBondContact N-O 3.4Å
52V85.9Confident77.8Confident15 Ų1553 Ų539%0.09128%0.284CS..SBendtrans-64.6147.1176.2179.80000110C50 H91 A92 H134C50-V52 PolarHBondContact SG-N 3.24Å; C50-V52 VanDerWaalsContact SG-N 3.37Å; V52-H91 HydrophobicContact CG2-CB 4.07Å; V52-A92 WeakPolarHBondContact CG2-O 3.13Å; V52-H134 PolarHBondContact O-CE1 3.22Å
53T85.4Confident75.9Confident51 Ų5155.5 Ų55.531%0.31329%0.294SS..  trans-74.6145.7-177.758.30000112Y2 T55Y2-T53 WeakPolarHBondContact O-CA 3.49Å; T53-T55 PolarHBondContact O-N 2.71Å; T53-T55 PolarHBondContact OG1-OG1 2.6Å
54D84.1Confident74Confident1 Ų156.2 Ų56.21%0.00530%0.296CS..THydrogen-bonded Turntrans-81.22.7177.6-61.7-50.6000113.7Y2 Y4 V28 R49 N56 S57 Y58 H134Y2-D54 WeakPolarHBondContact CB-OD2 3.38Å; Y2-D54 PolarHBondContact O-N 3.26Å; Y4-D54 HydrophobicContact CE1-CB 4.13Å; Y4-D54 HydrophobicContact CE2-CB 4.13Å; Y4-D54 WeakPolarHBondContact CE2-OD2 3.48Å; Y4-D54 VanDerWaalsContact CZ-OD2 3.26Å; Y4-D54 WeakPolarHBondContact OH-CB 3.21Å; Y4-D54 PolarHBondContact OH-OD2 2.96Å; V28-D54 HydrophobicContact CG1-CB 4.46Å; R49-D54 IonicContact CZ-OD2 3.16Å; R49-D54 IonicContact NH1-OD2 3.07Å; R49-D54 IonicContact NH2-OD1 2.65Å; R49-D54 PolarHBondContact NH2-OD1 3.27Å; R49-D54 IonicContact NH2-OD2 3.2Å; R49-D54 PolarHBondContact NH2-OD2 2.96Å; D54-N56 VanDerWaalsContact C-N 3.32Å; D54-N56 PolarHBondContact O-N 3.16Å; D54-S57 WeakPolarHBondContact O-CB 3.46Å; D54-S57 PolarHBondContact O-N 2.73Å; D54-Y58 WeakPolarHBondContact O-CB 3.3Å; D54-Y58 PolarHBondContact O-N 3.41Å; D54-H134 IonicContact OD1-CE1 3.82Å; D54-H134 PolarHBondContact OD1-CE1 3.03Å; D54-H134 IonicContact OD1-CG 2.7Å; D54-H134 IonicContact OD1-ND1 2.69Å; D54-H134 PolarHBondContact OD1-ND1 3.18Å
55T70.8Confident71.9Confident55 Ų5558.6 Ų58.634%0.33731%0.309SS..Hα-helixtrans-60.2-36.6-169.850.10000113.9T53 A59T53-T55 PolarHBondContact O-N 2.71Å; T53-T55 PolarHBondContact OG1-OG1 2.6Å; T55-A59 PolarHBondContact O-N 2.84Å
56N66.2Low69.8Low43 Ų4357.8 Ų57.823%0.2331%0.31CS..Hα-helixtrans-81.3-30.2-178.3-63.83000111.6D54 Y58 A59 A60 M76 T133D54-N56 VanDerWaalsContact C-N 3.32Å; D54-N56 PolarHBondContact O-N 3.16Å; N56-Y58 VanDerWaalsContact C-N 3.34Å; N56-A59 PolarHBondContact O-N 2.92Å; N56-A60 PolarHBondContact O-N 3.44Å; N56-A60 VanDerWaalsContact O-N 3.15Å; N56-M76 WeakPolarHBondContact ND2-CE 3.48Å; N56-T133 HydrophobicContact CB-CG2 3.49Å; N56-T133 VanDerWaalsContact CB-CG2 3.49Å
57S61.1Low67.7Low13 Ų1359.3 Ų59.39%0.09131%0.314CS..Hα-helixtrans-66.4-39169.5-51.40000111.3D54 A60 W61 H134D54-S57 WeakPolarHBondContact O-CB 3.46Å; D54-S57 PolarHBondContact O-N 2.73Å; S57-A60 PolarHBondContact O-N 3.22Å; S57-W61 PolarHBondContact O-N 2.85Å; S57-H134 VanDerWaalsContact CB-O 3.24Å; S57-H134 WeakPolarHBondContact CB-O 3.49Å; S57-H134 WeakPolarHBondContact OG-CA 3.2Å; S57-H134 WeakPolarHBondContact OG-CB 3.29Å; S57-H134 PolarHBondContact OG-N 2.9Å; S57-H134 PolarHBondContact OG-O 3.19Å
58Y57.7Low65.6Low95 Ų9559.3 Ų59.337%0.37332%0.324SS..Hα-helixtrans-65.3-41.3171.1171.2-104.3000111.9A24 D54 N56 A60 W61 A62A24-Y58 HydrophobicContact CB-CD2 3.69Å; A24-Y58 HydrophobicContact CB-CE2 3.83Å; D54-Y58 WeakPolarHBondContact O-CB 3.3Å; D54-Y58 PolarHBondContact O-N 3.41Å; N56-Y58 VanDerWaalsContact C-N 3.34Å; Y58-A60 VanDerWaalsContact C-N 3.3Å; Y58-A60 PolarHBondContact O-N 3.25Å; Y58-W61 AromaticContact CD2-CE3 3.88Å; Y58-W61 HydrophobicContact CD2-CE3 3.88Å; Y58-W61 HydrophobicContact CD2-CZ3 4.35Å; Y58-W61 AromaticContact CE2-CE3 3.62Å; Y58-W61 HydrophobicContact CE2-CE3 3.62Å; Y58-W61 AromaticContact CE2-CZ3 3.66Å; Y58-W61 HydrophobicContact CE2-CZ3 3.66Å; Y58-W61 CarbonylContact O-C 3.58Å; Y58-W61 PolarHBondContact O-N 3.34Å; Y58-W61 VanDerWaalsContact O-N 3.14Å; Y58-A62 HydrophobicContact CE1-CB 4.2Å; Y58-A62 HydrophobicContact CE2-CB 4.48Å; Y58-A62 VanDerWaalsContact O-CB 3.26Å; Y58-A62 WeakPolarHBondContact O-CB 3.18Å; Y58-A62 PolarHBondContact O-N 2.67Å
59A59.8Low63.8Low43 Ų4364.9 Ų64.936%0.35534%0.342SS..Hα-helixtrans-57.5-4417500000111T55 N56 W61 A62 E63T55-A59 PolarHBondContact O-N 2.84Å; N56-A59 PolarHBondContact O-N 2.92Å; A59-W61 VanDerWaalsContact C-N 3.35Å; A59-W61 PolarHBondContact O-N 3.46Å; A59-A62 CarbonylContact O-C 3.4Å; A59-A62 PolarHBondContact O-N 3.42Å; A59-E63 WeakPolarHBondContact O-CB 3.35Å; A59-E63 WeakPolarHBondContact O-CG 3.48Å; A59-E63 PolarHBondContact O-N 3.19Å
60A55.2Low61.4Low64 Ų6467.7 Ų67.753%0.52937%0.365SS..Hα-helixtrans-62.7-35.6175.800000113.9N56 S57 Y58 R64N56-A60 PolarHBondContact O-N 3.44Å; N56-A60 VanDerWaalsContact O-N 3.15Å; S57-A60 PolarHBondContact O-N 3.22Å; Y58-A60 VanDerWaalsContact C-N 3.3Å; Y58-A60 PolarHBondContact O-N 3.25Å; A60-R64 WeakPolarHBondContact O-CB 3.33Å; A60-R64 PolarHBondContact O-N 3.47Å
61W53.3Low59Low55 Ų5579 Ų7921%0.20841%0.408CS..Hα-helixtrans-70.5-42.7171.3176.285.1000112.3W27 S57 Y58 A59 E63 R64 I65W27-W61 AromaticContact CD1-CD1 3.58Å; W27-W61 AromaticContact CD1-CG 3.97Å; W27-W61 AromaticContact CD2-CD1 3.76Å; W27-W61 AromaticContact CD2-NE1 3.61Å; W27-W61 AromaticContact CE2-CD1 3.31Å; W27-W61 AromaticContact CE2-NE1 3.62Å; W27-W61 AromaticContact CG-CD1 3.93Å; W27-W61 AromaticContact CG-NE1 3.89Å; W27-W61 AromaticContact CZ2-CD1 3.79Å; W27-W61 AromaticContact NE1-CD1 3.2Å; W27-W61 AromaticContact NE1-CG 3.87Å; W27-W61 AromaticContact NE1-NE1 3.87Å; S57-W61 PolarHBondContact O-N 2.85Å; Y58-W61 AromaticContact CD2-CE3 3.88Å; Y58-W61 HydrophobicContact CD2-CE3 3.88Å; Y58-W61 HydrophobicContact CD2-CZ3 4.35Å; Y58-W61 AromaticContact CE2-CE3 3.62Å; Y58-W61 HydrophobicContact CE2-CE3 3.62Å; Y58-W61 AromaticContact CE2-CZ3 3.66Å; Y58-W61 HydrophobicContact CE2-CZ3 3.66Å; Y58-W61 CarbonylContact O-C 3.58Å; Y58-W61 PolarHBondContact O-N 3.34Å; Y58-W61 VanDerWaalsContact O-N 3.14Å; A59-W61 VanDerWaalsContact C-N 3.35Å; A59-W61 PolarHBondContact O-N 3.46Å; W61-E63 VanDerWaalsContact C-N 3.34Å; W61-R64 CarbonylContact O-C 3.21Å; W61-R64 PolarHBondContact O-N 2.9Å; W61-R64 VanDerWaalsContact O-N 3.12Å; W61-I65 HydrophobicContact CD2-CG1 4.01Å; W61-I65 HydrophobicContact CE3-CG1 4.49Å; W61-I65 HydrophobicContact CG-CG1 4.47Å; W61-I65 HydrophobicContact CH2-CG1 4.27Å; W61-I65 HydrophobicContact CZ2-CD1 4.45Å; W61-I65 HydrophobicContact CZ2-CG1 3.78Å; W61-I65 WeakPolarHBondContact O-CG1 3.34Å; W61-I65 PolarHBondContact O-N 3.47Å
62A55.6Low57Low17 Ų1785.3 Ų85.314%0.1443%0.432CS..Hα-helixtrans-65.5-37.1179.200000111Y58 A59 S66Y58-A62 HydrophobicContact CE1-CB 4.2Å; Y58-A62 HydrophobicContact CE2-CB 4.48Å; Y58-A62 VanDerWaalsContact O-CB 3.26Å; Y58-A62 WeakPolarHBondContact O-CB 3.18Å; Y58-A62 PolarHBondContact O-N 2.67Å; A59-A62 CarbonylContact O-C 3.4Å; A59-A62 PolarHBondContact O-N 3.42Å; A62-S66 WeakPolarHBondContact O-CA 3.46Å; A62-S66 WeakPolarHBondContact O-CB 3.5Å; A62-S66 PolarHBondContact O-N 3.44Å; A62-S66 PolarHBondContact O-OG 3.47Å
63E53.3Low55Low136 Ų13694.5 Ų94.564%0.63647%0.465SS*.Hα-helixtrans-63.4-43.5170.2-68.2-65.2150.700110.2A59 W61 I65 S66 D67A59-E63 WeakPolarHBondContact O-CB 3.35Å; A59-E63 WeakPolarHBondContact O-CG 3.48Å; A59-E63 PolarHBondContact O-N 3.19Å; W61-E63 VanDerWaalsContact C-N 3.34Å; E63-I65 VanDerWaalsContact C-N 3.35Å; E63-I65 PolarHBondContact O-N 3.28Å; E63-S66 PolarHBondContact O-N 3.32Å; E63-D67 WeakPolarHBondContact O-CB 3.45Å; E63-D67 PolarHBondContact O-N 2.82Å
64R51.3Low53.1Low171 Ų17197.7 Ų97.765%0.64548%0.484SS*.Hα-helixtrans-70.2-24.5-180-155161.577.1-1777.8114.6A60 W61A60-R64 WeakPolarHBondContact O-CB 3.33Å; A60-R64 PolarHBondContact O-N 3.47Å; W61-R64 CarbonylContact O-C 3.21Å; W61-R64 PolarHBondContact O-N 2.9Å; W61-R64 VanDerWaalsContact O-N 3.12Å
65I46.7Very low50.8Low71 Ų71108 Ų10836%0.36453%0.529SS..Hα-helixtrans-95-27.9173.4-64.6-66.5000111.7W61 E63 D67 L68W61-I65 HydrophobicContact CD2-CG1 4.01Å; W61-I65 HydrophobicContact CE3-CG1 4.49Å; W61-I65 HydrophobicContact CG-CG1 4.47Å; W61-I65 HydrophobicContact CH2-CG1 4.27Å; W61-I65 HydrophobicContact CZ2-CD1 4.45Å; W61-I65 HydrophobicContact CZ2-CG1 3.78Å; W61-I65 WeakPolarHBondContact O-CG1 3.34Å; W61-I65 PolarHBondContact O-N 3.47Å; E63-I65 VanDerWaalsContact C-N 3.35Å; E63-I65 PolarHBondContact O-N 3.28Å; I65-D67 VanDerWaalsContact C-N 3.31Å; I65-L68 WeakPolarHBondContact O-CB 3.26Å; I65-L68 PolarHBondContact O-N 2.81Å
66S46.4Very low49.3Very low58 Ų58112 Ų11241%0.40655%0.546SS..Hα-helixtrans-76.3-19.9173.9-62.20000112.1A62 E63 L68 F69 A70A62-S66 WeakPolarHBondContact O-CA 3.46Å; A62-S66 WeakPolarHBondContact O-CB 3.5Å; A62-S66 PolarHBondContact O-N 3.44Å; A62-S66 PolarHBondContact O-OG 3.47Å; E63-S66 PolarHBondContact O-N 3.32Å; S66-L68 PolarHBondContact O-N 2.84Å; S66-F69 CarbonylContact O-C 3.59Å; S66-F69 WeakPolarHBondContact O-CA 3.47Å; S66-F69 PolarHBondContact O-N 3.43Å; S66-A70 VanDerWaalsContact O-CA 3.23Å; S66-A70 WeakPolarHBondContact O-CA 3.35Å; S66-A70 PolarHBondContact O-N 3.06Å
67D43.7Very low48.2Very low142 Ų142120.6 Ų120.676%0.75958%0.575SS**THydrogen-bonded Turntrans-64.2-21.3168.9-154.247000112.1E63 I65E63-D67 WeakPolarHBondContact O-CB 3.45Å; E63-D67 PolarHBondContact O-N 2.82Å; I65-D67 VanDerWaalsContact C-N 3.31Å
68L46.3Very low47.2Very low130 Ų130130.7 Ų130.768%0.68161%0.611SS**THydrogen-bonded Turntrans-78.5-13.2167-84.2150.5000113.7I65 S66I65-L68 WeakPolarHBondContact O-CB 3.26Å; I65-L68 PolarHBondContact O-N 2.81Å; S66-L68 PolarHBondContact O-N 2.84Å
69F48.1Very low46.6Very low178 Ų178135.2 Ų135.278%0.78163%0.632SS**SBendtrans-14228-172.2-70.9-74.5000114.5S66S66-F69 CarbonylContact O-C 3.59Å; S66-F69 WeakPolarHBondContact O-CA 3.47Å; S66-F69 PolarHBondContact O-N 3.43Å
70A40.5Very low45.6Very low61 Ų61138.2 Ų138.250%0.50464%0.638SS.*  trans-27.8126.5-16500000117.4S66S66-A70 VanDerWaalsContact O-CA 3.23Å; S66-A70 WeakPolarHBondContact O-CA 3.35Å; S66-A70 PolarHBondContact O-N 3.06Å
71R39.1Very low44.8Very low237 Ų237146.8 Ų146.889%0.89466%0.656SS**  158.1123.1111.9-80.8172.2-157.5174.37.2112.1
72H45.8Very low44.1Very low156 Ų156150.8 Ų150.872%0.72268%0.675SS**  trans86.6106.6142.3-125-127.1000121.9
73R45.7Very low43.3Very low208 Ų208153.5 Ų153.579%0.78570%0.698SS**  111.3136.2118.3-126.3-178.1-158.9153.66119.6
74T45.2Very low42.9Very low118 Ų118154.8 Ų154.872%0.72470%0.701SS**  trans-72.3152.4-170.450.70000115.5
75K35.3Very low42.1Very low216 Ų216156 Ų15694%0.93971%0.714SS**  trans-164.3123.4142.8-114.7171.7-174.61750112.6
76M39.6Very low42.1Very low140 Ų140156.6 Ų156.669%0.6974%0.738SS**  trans-99.5133.1173.3-89.3-90.4-123.100111.6N56N56-M76 WeakPolarHBondContact ND2-CE 3.48Å
77R43.3Very low43.2Very low223 Ų223155 Ų15584%0.84273%0.731SS**  trans147.7126.6137.3-95.6173.861.2140.6-8.3111.2
78R40.1Very low44Very low226 Ų226149.3 Ų149.385%0.85370%0.703SS**  trans-163.6138.4131-110.2171-175.8175.41.6112.1
79K44.1Very low45.3Very low189 Ų189143.6 Ų143.682%0.82267%0.673SS**  trans-72.2138.1179.1-155.7175.8-172.8-179.60109.1
80K39.3Very low46.6Very low107 Ų107135.2 Ų135.247%0.46564%0.637SS.*  trans-119.7138.7177.1-125.5171.8-169.9149.60111.8K1K1-K80 VanDerWaalsContact O-CD 3.29Å; K1-K80 WeakPolarHBondContact O-CD 3.39Å; K1-K80 WeakPolarHBondContact O-CE 3.33Å; K1-K80 PolarHBondContact O-NZ 3.37Å
81R39Very low48.5Very low244 Ų244133.5 Ų133.592%0.92162%0.618SS**  trans-91.5153.6178.9-67.4-178.5175.5-1430.1110.7
82F38.2Very low50Low138 Ų138122.5 Ų122.561%0.60558%0.578SS**  trans-69.4145.5179.4-61.3-67.1000113H91F82-H91 AromaticContact CD1-CE1 3.96Å; F82-H91 AromaticContact CE1-CD2 3.96Å; F82-H91 AromaticContact CE1-CE1 2.93Å; F82-H91 WeakPolarHBondContact CE1-CE1 3.44Å; F82-H91 AromaticContact CE1-CG 3.78Å; F82-H91 AromaticContact CE1-ND1 3.14Å; F82-H91 WeakPolarHBondContact CE1-ND1 3.5Å; F82-H91 AromaticContact CE1-NE2 3.46Å; F82-H91 WeakPolarHBondContact CE1-NE2 3.49Å; F82-H91 AromaticContact CE2-CE1 3.94Å; F82-H91 AromaticContact CE2-NE2 3.98Å; F82-H91 AromaticContact CZ-CD2 3.73Å; F82-H91 AromaticContact CZ-CE1 2.94Å; F82-H91 WeakPolarHBondContact CZ-CE1 3.29Å; F82-H91 AromaticContact CZ-ND1 3.62Å; F82-H91 AromaticContact CZ-NE2 3Å; F82-H91 WeakPolarHBondContact CZ-NE2 3.34Å
83A38.4Very low51.4Low74 Ų74117.4 Ų117.461%0.61255%0.554SS**  trans-125.8125.1156.600000107.1
84K44.5Very low52.7Low164 Ų164110.9 Ų110.971%0.71354%0.535SS*.  trans-74.1158.2172.5-84.8-166.8171.2-153.90110.7D105K84-D105 IonicContact NZ-OD2 3.7Å
85Q34.6Very low53.8Low196 Ų196108.5 Ų108.592%0.91652%0.521SS*.SBendtrans81.9108-179.5-73.4174-14.800116.5
86G46.3Very low55.2Low84 Ų84109.4 Ų109.487%0.86652%0.519SS*.SBendtrans92.95.8158.700000117.7
87G69.7Low56.7Low25 Ų25108.6 Ų108.626%0.25851%0.508SS..  trans-177.6152176.900000116K1K1-G87 PolarHBondContact NZ-O 3.43Å
88A62.1Low58.2Low21 Ų2199.7 Ų99.717%0.17449%0.485CS..  trans76108.3-163.500000113.7R49R49-A88 VanDerWaalsContact O-CA 3.25Å; R49-A88 WeakPolarHBondContact O-CA 3.45Å
89L72.9Confident60.1Low11 Ų1192.4 Ų92.46%0.05846%0.461CS..SBendtrans-80.6-38.8179.7-57.6-177.4000112.8P48 R49 D103 E106 W108 Y146P48-L89 HydrophobicContact CB-CD1 3.99Å; P48-L89 HydrophobicContact CB-CD2 3.61Å; P48-L89 HydrophobicContact CB-CG 3.87Å; R49-L89 PolarHBondContact O-N 3.41Å; L89-D103 WeakPolarHBondContact O-CB 3.4Å; L89-D103 PolarHBondContact O-N 3.08Å; L89-E106 HydrophobicContact CD2-CG 4.21Å; L89-E106 WeakPolarHBondContact CD2-OE2 3.34Å; L89-W108 HydrophobicContact CB-CH2 4.37Å; L89-Y146 HydrophobicContact CB-CD2 4.49Å; L89-Y146 HydrophobicContact CB-CE2 3.62Å; L89-Y146 HydrophobicContact CD1-CD2 3.28Å; L89-Y146 HydrophobicContact CD1-CE2 3.27Å; L89-Y146 HydrophobicContact CD1-CG 4.49Å; L89-Y146 HydrophobicContact CG-CD2 4.19Å; L89-Y146 HydrophobicContact CG-CE2 3.68Å
90A74.3Confident62Low2 Ų284.9 Ų84.92%0.01743%0.434CS..EExtended strand (participates in β ladder)trans-153.8168.6177.400000108.3G51 H101 F102 V121 E125G51-A90 PolarHBondContact N-O 3.4Å; A90-H101 WeakPolarHBondContact CA-O 3.47Å; A90-H101 VanDerWaalsContact CB-O 3.32Å; A90-H101 WeakPolarHBondContact CB-O 3.39Å; A90-F102 HydrophobicContact CB-CD1 3.76Å; A90-F102 HydrophobicContact CB-CE1 4.07Å; A90-F102 HydrophobicContact CB-CG 4.3Å; A90-V121 HydrophobicContact CB-CG1 3.58Å; A90-E125 HydrophobicContact CB-CG 3.66Å; A90-E125 WeakPolarHBondContact CB-OE1 3.37Å
91H81.6Confident64Low24 Ų2483.7 Ų83.711%0.11143%0.43CS..EExtended strand (participates in β ladder)trans-153.1160.1167.963.4-83.4000109.4V52 F82 F93 A100 H101 E125V52-H91 HydrophobicContact CG2-CB 4.07Å; F82-H91 AromaticContact CD1-CE1 3.96Å; F82-H91 AromaticContact CE1-CD2 3.96Å; F82-H91 AromaticContact CE1-CE1 2.93Å; F82-H91 WeakPolarHBondContact CE1-CE1 3.44Å; F82-H91 AromaticContact CE1-CG 3.78Å; F82-H91 AromaticContact CE1-ND1 3.14Å; F82-H91 WeakPolarHBondContact CE1-ND1 3.5Å; F82-H91 AromaticContact CE1-NE2 3.46Å; F82-H91 WeakPolarHBondContact CE1-NE2 3.49Å; F82-H91 AromaticContact CE2-CE1 3.94Å; F82-H91 AromaticContact CE2-NE2 3.98Å; F82-H91 AromaticContact CZ-CD2 3.73Å; F82-H91 AromaticContact CZ-CE1 2.94Å; F82-H91 WeakPolarHBondContact CZ-CE1 3.29Å; F82-H91 AromaticContact CZ-ND1 3.62Å; F82-H91 AromaticContact CZ-NE2 3Å; F82-H91 WeakPolarHBondContact CZ-NE2 3.34Å; H91-F93 AromaticContact NE2-CE2 3.91Å; H91-A100 WeakPolarHBondContact O-CA 3.46Å; H91-H101 VanDerWaalsContact CE1-CB 3.46Å; H91-H101 WeakPolarHBondContact CE1-CB 3.14Å; H91-H101 AromaticContact CE1-CG 3.93Å; H91-H101 AromaticContact CE1-ND1 3.69Å; H91-H101 PolarHBondContact N-O 3.3Å; H91-H101 AromaticContact NE2-CG 3.64Å; H91-H101 AromaticContact NE2-ND1 3.26Å; H91-H101 PolarHBondContact NE2-ND1 3.28Å; H91-H101 PolarHBondContact O-N 3.29Å; H91-E125 WeakPolarHBondContact CA-OE2 3.33Å
92A71Confident66.2Low7 Ų775 Ų756%0.05840%0.399CS..EExtended strand (participates in β ladder)trans-126.1155.1173.100000112.4V52 E99 A100 E125 H128 T129V52-A92 WeakPolarHBondContact CG2-O 3.13Å; A92-E99 CarbonylContact C-O 3.52Å; A92-E99 VanDerWaalsContact CA-O 3.3Å; A92-E99 WeakPolarHBondContact CA-O 3.45Å; A92-A100 HydrophobicContact CB-CB 4.11Å; A92-E125 HydrophobicContact CB-CB 4.1Å; A92-E125 VanDerWaalsContact CB-O 3.3Å; A92-E125 WeakPolarHBondContact CB-O 3.35Å; A92-E125 PolarHBondContact N-OE2 3.03Å; A92-H128 HydrophobicContact CB-CB 3.59Å; A92-T129 HydrophobicContact CB-CG2 3.94Å
93F75.2Confident68.4Low48 Ų4871 Ų7121%0.21138%0.384CS..  trans-93128.2166.9-64-84.3000109.2H91 R97 G98 E99 H101H91-F93 AromaticContact NE2-CE2 3.91Å; F93-R97 HydrophobicContact CB-CB 3.74Å; F93-R97 HydrophobicContact CB-CG 4.5Å; F93-R97 HydrophobicContact CG-CB 4.38Å; F93-G98 PolarHBondContact O-N 3.41Å; F93-E99 HydrophobicContact CD2-CB 4.01Å; F93-E99 PolarHBondContact N-O 2.93Å; F93-H101 AromaticContact CE2-CE1 3.76Å
94L73.1Confident70.3Confident72 Ų7276 Ų7638%0.37740%0.395SS..THydrogen-bonded Turntrans-50.4160.6174.4-78.192.1000112.1R96 R97 G98L94-R96 PolarHBondContact O-N 3.1Å; L94-R97 PolarHBondContact O-N 3.03Å; L94-G98 PolarHBondContact O-N 3.4Å
95P67.9Low72.1Confident67 Ų6773.8 Ų73.844%0.43539%0.391SS..THydrogen-bonded Turntrans-48.1-27-158.8-28.925.7000117.5R97 T129P95-R97 PolarHBondContact O-N 3.07Å; P95-T129 VanDerWaalsContact CA-O 3.26Å; P95-T129 WeakPolarHBondContact CA-O 3.48Å; P95-T129 WeakPolarHBondContact CB-O 3.45Å; P95-T129 WeakPolarHBondContact CG-O 3.24Å
96R64.5Low74.2Confident236 Ų23666.2 Ų66.289%0.89136%0.355SS*.THydrogen-bonded Turntrans-58.6-27177-63.9-169.374.6170.95.5114L94L94-R96 PolarHBondContact O-N 3.1Å
97R71.1Confident76Confident122 Ų12270.2 Ų70.246%0.4634%0.344SS..THydrogen-bonded Turntrans-111.9-42.8169.5-65.4-173.679.4-124.1-3.6111.7F93 L94 P95 E99F93-R97 HydrophobicContact CB-CB 3.74Å; F93-R97 HydrophobicContact CB-CG 4.5Å; F93-R97 HydrophobicContact CG-CB 4.38Å; L94-R97 PolarHBondContact O-N 3.03Å; P95-R97 PolarHBondContact O-N 3.07Å; R97-E99 VanDerWaalsContact C-N 3.3Å; R97-E99 VanDerWaalsContact CZ-CD 3.44Å; R97-E99 IonicContact CZ-OE1 3.49Å; R97-E99 VanDerWaalsContact CZ-OE1 3.25Å; R97-E99 IonicContact CZ-OE2 3.69Å; R97-E99 IonicContact NE-OE1 3.67Å; R97-E99 IonicContact NH1-OE1 2.71Å; R97-E99 IonicContact NH1-OE2 2.67Å; R97-E99 PolarHBondContact NH1-OE2 3.21Å; R97-E99 IonicContact NH2-OE1 2.79Å; R97-E99 PolarHBondContact NH2-OE1 2.88Å; R97-E99 IonicContact NH2-OE2 3.46Å; R97-E99 PolarHBondContact NH2-OE2 3.34Å; R97-E99 PolarHBondContact O-N 2.8Å
98G73.7Confident76.6Confident36 Ų3671.9 Ų71.937%0.37134%0.343SS..  trans71.915.2174.700000115.9F93 L94 T129F93-G98 PolarHBondContact O-N 3.41Å; L94-G98 PolarHBondContact O-N 3.4Å; G98-T129 VanDerWaalsContact O-CG2 3.3Å; G98-T129 WeakPolarHBondContact O-CG2 3.46Å
99E80.1Confident77.5Confident73 Ų7372 Ų7234%0.34134%0.343SS..  trans-92.7146.8179.1-67.5162.9-14900111.4A92 F93 R97 H101A92-E99 CarbonylContact C-O 3.52Å; A92-E99 VanDerWaalsContact CA-O 3.3Å; A92-E99 WeakPolarHBondContact CA-O 3.45Å; F93-E99 HydrophobicContact CD2-CB 4.01Å; F93-E99 PolarHBondContact N-O 2.93Å; R97-E99 VanDerWaalsContact C-N 3.3Å; R97-E99 VanDerWaalsContact CZ-CD 3.44Å; R97-E99 IonicContact CZ-OE1 3.49Å; R97-E99 VanDerWaalsContact CZ-OE1 3.25Å; R97-E99 IonicContact CZ-OE2 3.69Å; R97-E99 IonicContact NE-OE1 3.67Å; R97-E99 IonicContact NH1-OE1 2.71Å; R97-E99 IonicContact NH1-OE2 2.67Å; R97-E99 PolarHBondContact NH1-OE2 3.21Å; R97-E99 IonicContact NH2-OE1 2.79Å; R97-E99 PolarHBondContact NH2-OE1 2.88Å; R97-E99 IonicContact NH2-OE2 3.46Å; R97-E99 PolarHBondContact NH2-OE2 3.34Å; R97-E99 PolarHBondContact O-N 2.8Å; E99-H101 IonicContact OE2-NE2 3.71Å
100A83.9Confident77.8Confident32 Ų3277.2 Ų77.226%0.26437%0.37SS..EExtended strand (participates in β ladder)trans-125136.8170.600000110.6H91 A92 F102 E125H91-A100 WeakPolarHBondContact O-CA 3.46Å; A92-A100 HydrophobicContact CB-CB 4.11Å; A100-F102 HydrophobicContact CB-CE2 4.05Å; A100-F102 HydrophobicContact CB-CZ 4.35Å; A100-E125 HydrophobicContact CB-CB 3.73Å; A100-E125 HydrophobicContact CB-CG 4.45Å
101H83Confident77.7Confident81 Ų8179.5 Ų79.538%0.37539%0.385SS..EExtended strand (participates in β ladder)trans-121.8144.7177.9-55.5163.8000110.8A90 H91 F93 E99A90-H101 WeakPolarHBondContact CA-O 3.47Å; A90-H101 VanDerWaalsContact CB-O 3.32Å; A90-H101 WeakPolarHBondContact CB-O 3.39Å; H91-H101 VanDerWaalsContact CE1-CB 3.46Å; H91-H101 WeakPolarHBondContact CE1-CB 3.14Å; H91-H101 AromaticContact CE1-CG 3.93Å; H91-H101 AromaticContact CE1-ND1 3.69Å; H91-H101 PolarHBondContact N-O 3.3Å; H91-H101 AromaticContact NE2-CG 3.64Å; H91-H101 AromaticContact NE2-ND1 3.26Å; H91-H101 PolarHBondContact NE2-ND1 3.28Å; H91-H101 PolarHBondContact O-N 3.29Å; F93-H101 AromaticContact CE2-CE1 3.76Å; E99-H101 IonicContact OE2-NE2 3.71Å
102F84.6Confident76.9Confident62 Ų6285.3 Ų85.327%0.27241%0.406SS..EExtended strand (participates in β ladder)trans-120.2141.7-175.2-60.7-97.7000109.6A90 A100 Q104 W108 L118 V121 L122 E125A90-F102 HydrophobicContact CB-CD1 3.76Å; A90-F102 HydrophobicContact CB-CE1 4.07Å; A90-F102 HydrophobicContact CB-CG 4.3Å; A100-F102 HydrophobicContact CB-CE2 4.05Å; A100-F102 HydrophobicContact CB-CZ 4.35Å; F102-Q104 PolarHBondContact O-N 2.79Å; F102-W108 HydrophobicContact CB-CZ2 3.96Å; F102-W108 HydrophobicContact CD1-CH2 4.03Å; F102-W108 HydrophobicContact CD1-CZ2 4.13Å; F102-L118 HydrophobicContact CD1-CD1 3.85Å; F102-L118 HydrophobicContact CE1-CD1 3.95Å; F102-V121 HydrophobicContact CD1-CG1 4.11Å; F102-V121 HydrophobicContact CE1-CB 4.48Å; F102-V121 HydrophobicContact CE1-CG1 3.88Å; F102-L122 HydrophobicContact CE1-CB 4.19Å; F102-L122 HydrophobicContact CE2-CD1 4.18Å; F102-L122 HydrophobicContact CZ-CB 4.06Å; F102-L122 HydrophobicContact CZ-CD1 3.57Å; F102-L122 HydrophobicContact CZ-CG 4.43Å; F102-E125 HydrophobicContact CE1-CG 4.24Å; F102-E125 HydrophobicContact CZ-CB 4.39Å; F102-E125 HydrophobicContact CZ-CG 4.2Å
103D83.4Confident76.6Confident55 Ų5595.2 Ų95.229%0.29444%0.442SS..  trans-68.4122.1175.9-169.2-4.6000110.4L89 D105 E106 W108L89-D103 WeakPolarHBondContact O-CB 3.4Å; L89-D103 PolarHBondContact O-N 3.08Å; D103-D105 VanDerWaalsContact C-N 3.26Å; D103-D105 PolarHBondContact O-N 3.19Å; D103-D105 PolarHBondContact OD1-N 3.1Å; D103-D105 VanDerWaalsContact OD1-N 3.08Å; D103-E106 HydrophobicContact CB-CG 3.78Å; D103-E106 PolarHBondContact O-N 3.09Å; D103-W108 PolarHBondContact O-NE1 3.26Å
104Q79.9Confident76.2Confident179 Ų179102.1 Ų102.184%0.83647%0.467SS*.THydrogen-bonded Turntrans-72.5-22-179.1-69.4-175.9-45.600112.3F102 E106F102-Q104 PolarHBondContact O-N 2.79Å; Q104-E106 PolarHBondContact O-N 2.71Å
105D81Confident76.2Confident116 Ų116100.3 Ų100.362%0.6247%0.466SS*.THydrogen-bonded Turntrans-77.3-4.1-178.9-62.2-35.9000111.8K84 D103K84-D105 IonicContact NZ-OD2 3.7Å; D103-D105 VanDerWaalsContact C-N 3.26Å; D103-D105 PolarHBondContact O-N 3.19Å; D103-D105 PolarHBondContact OD1-N 3.1Å; D103-D105 VanDerWaalsContact OD1-N 3.08Å
106E79.9Confident76.8Confident37 Ų37101 Ų10117%0.17346%0.46CS..SBendtrans-93.4137.7-178-59.8-70.350.900113.2L89 D103 Q104 W108 R116L89-E106 HydrophobicContact CD2-CG 4.21Å; L89-E106 WeakPolarHBondContact CD2-OE2 3.34Å; D103-E106 HydrophobicContact CB-CG 3.78Å; D103-E106 PolarHBondContact O-N 3.09Å; Q104-E106 PolarHBondContact O-N 2.71Å; E106-W108 HydrophobicContact CB-CZ2 3.92Å; E106-W108 HydrophobicContact CG-CZ2 4.38Å; E106-W108 PolarHBondContact O-N 3.18Å; E106-W108 PolarHBondContact O-NE1 2.82Å; E106-R116 IonicContact OE1-CZ 2.71Å; E106-R116 IonicContact OE1-NH1 3.79Å; E106-R116 PolarHBondContact OE1-NH1 3.01Å; E106-R116 IonicContact OE1-NH2 3.25Å; E106-R116 PolarHBondContact OE1-NH2 2.78Å; E106-R116 IonicContact OE2-CZ 3.02Å; E106-R116 IonicContact OE2-NE 3.79Å; E106-R116 PolarHBondContact OE2-NE 2.52Å; E106-R116 IonicContact OE2-NH1 2.75Å; E106-R116 PolarHBondContact OE2-NH1 2.62Å; E106-R116 VanDerWaalsContact OE2-NH1 3.07Å; E106-R116 IonicContact OE2-NH2 2.79Å; E106-R116 PolarHBondContact OE2-NH2 3.31Å
107R82.2Confident77.9Confident168 Ų16891 Ų9163%0.63442%0.424SS*.  trans-75.989.1175.1-161.4172.386.8-97.98.2111.3G115 R116R107-G115 CarbonylContact O-C 3.58Å; R107-G115 WeakPolarHBondContact O-CA 3.44Å; R107-R116 PolarHBondContact O-N 3.46Å
108W82.6Confident78.6Confident61 Ų6187.6 Ų87.623%0.23142%0.415CS..EExtended strand (participates in β ladder)trans-72.9147.2176.6-61.7107.1000112.6L89 F102 D103 E106 R116 L118 V121L89-W108 HydrophobicContact CB-CH2 4.37Å; F102-W108 HydrophobicContact CB-CZ2 3.96Å; F102-W108 HydrophobicContact CD1-CH2 4.03Å; F102-W108 HydrophobicContact CD1-CZ2 4.13Å; D103-W108 PolarHBondContact O-NE1 3.26Å; E106-W108 HydrophobicContact CB-CZ2 3.92Å; E106-W108 HydrophobicContact CG-CZ2 4.38Å; E106-W108 PolarHBondContact O-N 3.18Å; E106-W108 PolarHBondContact O-NE1 2.82Å; W108-R116 HydrophobicContact CE3-CB 4.16Å; W108-R116 HydrophobicContact CZ3-CB 4.17Å; W108-L118 HydrophobicContact CB-CB 4.37Å; W108-L118 HydrophobicContact CD2-CD1 3.96Å; W108-L118 HydrophobicContact CE3-CB 3.92Å; W108-L118 HydrophobicContact CE3-CD1 3.69Å; W108-L118 HydrophobicContact CE3-CG 4.41Å; W108-L118 HydrophobicContact CG-CD1 4.43Å; W108-L118 HydrophobicContact CZ3-CD1 4.13Å; W108-V121 HydrophobicContact CH2-CB 4.23Å; W108-V121 HydrophobicContact CH2-CG1 3.88Å; W108-V121 HydrophobicContact CH2-CG2 4.28Å; W108-V121 HydrophobicContact CZ3-CB 3.83Å; W108-V121 HydrophobicContact CZ3-CG1 4.01Å; W108-V121 HydrophobicContact CZ3-CG2 3.77Å
109S82.6Confident79.3Confident24 Ų2489.8 Ų89.817%0.16841%0.414CS..EExtended strand (participates in β ladder)trans-154.5144.7178.4170.30000110.2S111 R114 R116 N117 L118S109-S111 PolarHBondContact OG-N 3.1Å; S109-S111 VanDerWaalsContact OG-N 3.07Å; S109-S111 PolarHBondContact OG-O 2.85Å; S109-S111 PolarHBondContact OG-OG 2.87Å; S109-R114 WeakPolarHBondContact CB-O 3.35Å; S109-R114 PolarHBondContact OG-O 2.87Å; S109-R116 PolarHBondContact N-O 3.25Å; S109-N117 CarbonylContact O-C 3.54Å; S109-N117 VanDerWaalsContact O-CA 3.27Å; S109-N117 WeakPolarHBondContact O-CA 3.48Å; S109-L118 PolarHBondContact O-N 2.85Å
110L79.3Confident79.8Confident119 Ų11986.4 Ų86.462%0.62340%0.399SS*.SBendtrans-88.6-18.8170.2-62.3175.3000111.7N117 L118L110-N117 PolarHBondContact O-ND2 3.28Å; L110-L118 HydrophobicContact CD2-CB 4.18Å; L110-L118 HydrophobicContact CD2-CD2 4.37Å
111S70.4Confident80.1Confident50 Ų5085.1 Ų85.135%0.3539%0.387SS..SBendtrans-75.4155.4178.876.40000112S109 R113 N117S109-S111 PolarHBondContact OG-N 3.1Å; S109-S111 VanDerWaalsContact OG-N 3.07Å; S109-S111 PolarHBondContact OG-O 2.85Å; S109-S111 PolarHBondContact OG-OG 2.87Å; S111-R113 VanDerWaalsContact C-N 3.3Å; S111-N117 PolarHBondContact O-ND2 3.37Å
112R65.8Low80.4Confident146 Ų14684.5 Ų84.555%0.55139%0.386SS*.SBendtrans-73.8-21.6175.1-127.7170.7-174.1156.310.4113.4L149 G150R112-L149 HydrophobicContact CG-CB 4.23Å; R112-L149 HydrophobicContact CG-CD2 4.25Å; R112-L149 HydrophobicContact CG-CG 4.27Å; R112-L149 WeakPolarHBondContact CG-O 3.46Å; R112-L149 PolarHBondContact NE-O 3.49Å; R112-G150 PolarHBondContact NH2-O 3.41Å
113R65.3Low80.8Confident215 Ų21582.4 Ų82.481%0.81138%0.381SS*.SBendtrans-100.7-19.3-161.8-61.9-167.5-173.8-146.38.3114.4S111 E188S111-R113 VanDerWaalsContact C-N 3.3Å; R113-E188 IonicContact NH2-OE1 2.76Å
114R66.7Low81.3Confident193 Ų19379.8 Ų79.873%0.72837%0.367SS*.SBendtrans-139.3146.9-178.1-67.1-178.2-175.7170.62.7110.8S109S109-R114 WeakPolarHBondContact CB-O 3.35Å; S109-R114 PolarHBondContact OG-O 2.87Å
115G71.9Confident81.9Confident35 Ų3571.2 Ų71.236%0.36133%0.327SS..SBendtrans71.1-175.3173.600000114.7R107R107-G115 CarbonylContact O-C 3.58Å; R107-G115 WeakPolarHBondContact O-CA 3.44Å
116R80.8Confident82.3Confident82 Ų8269.3 Ų69.331%0.30932%0.316SS..EExtended strand (participates in β ladder)trans-83.6129.7171.5-70178178.894-12.1108.8E106 R107 W108 S109 L118E106-R116 IonicContact OE1-CZ 2.71Å; E106-R116 IonicContact OE1-NH1 3.79Å; E106-R116 PolarHBondContact OE1-NH1 3.01Å; E106-R116 IonicContact OE1-NH2 3.25Å; E106-R116 PolarHBondContact OE1-NH2 2.78Å; E106-R116 IonicContact OE2-CZ 3.02Å; E106-R116 IonicContact OE2-NE 3.79Å; E106-R116 PolarHBondContact OE2-NE 2.52Å; E106-R116 IonicContact OE2-NH1 2.75Å; E106-R116 PolarHBondContact OE2-NH1 2.62Å; E106-R116 VanDerWaalsContact OE2-NH1 3.07Å; E106-R116 IonicContact OE2-NH2 2.79Å; E106-R116 PolarHBondContact OE2-NH2 3.31Å; R107-R116 PolarHBondContact O-N 3.46Å; W108-R116 HydrophobicContact CE3-CB 4.16Å; W108-R116 HydrophobicContact CZ3-CB 4.17Å; S109-R116 PolarHBondContact N-O 3.25Å; R116-L118 PolarHBondContact O-N 3.38Å
117N87.1Confident82.8Confident24 Ų2467.8 Ų67.813%0.12831%0.31CS..EExtended strand (participates in β ladder)trans-73105-175.1-170-76.8000110.3S109 L110 S111 F119 V120 V121 L149S109-N117 CarbonylContact O-C 3.54Å; S109-N117 VanDerWaalsContact O-CA 3.27Å; S109-N117 WeakPolarHBondContact O-CA 3.48Å; L110-N117 PolarHBondContact O-ND2 3.28Å; S111-N117 PolarHBondContact O-ND2 3.37Å; N117-F119 PolarHBondContact O-N 3.14Å; N117-F119 WeakPolarHBondContact OD1-CB 3.19Å; N117-F119 PolarHBondContact OD1-N 3.29Å; N117-V120 HydrophobicContact CB-CG2 4.34Å; N117-V120 PolarHBondContact O-N 3.13Å; N117-V120 PolarHBondContact OD1-N 2.86Å; N117-V121 PolarHBondContact O-N 2.94Å; N117-L149 WeakPolarHBondContact ND2-CD2 3.26Å
118L86.8Confident83.1Confident52 Ų5259.9 Ų59.927%0.27228%0.28SS..Hα-helixtrans-61.4-36.3-176.5177.461.2000111.2F102 W108 S109 L110 R116 V120 V121 L122F102-L118 HydrophobicContact CD1-CD1 3.85Å; F102-L118 HydrophobicContact CE1-CD1 3.95Å; W108-L118 HydrophobicContact CB-CB 4.37Å; W108-L118 HydrophobicContact CD2-CD1 3.96Å; W108-L118 HydrophobicContact CE3-CB 3.92Å; W108-L118 HydrophobicContact CE3-CD1 3.69Å; W108-L118 HydrophobicContact CE3-CG 4.41Å; W108-L118 HydrophobicContact CG-CD1 4.43Å; W108-L118 HydrophobicContact CZ3-CD1 4.13Å; S109-L118 PolarHBondContact O-N 2.85Å; L110-L118 HydrophobicContact CD2-CB 4.18Å; L110-L118 HydrophobicContact CD2-CD2 4.37Å; R116-L118 PolarHBondContact O-N 3.38Å; L118-V120 PolarHBondContact O-N 2.72Å; L118-V121 PolarHBondContact O-N 3.2Å; L118-L122 WeakPolarHBondContact O-CB 3.48Å; L118-L122 PolarHBondContact O-N 3.12Å
119F88.7Confident83.2Confident81 Ų8158.3 Ų58.336%0.35528%0.277SS..Hα-helixtrans-61-44.9179.7173-100.6000112.2N117 A123 L154N117-F119 PolarHBondContact O-N 3.14Å; N117-F119 WeakPolarHBondContact OD1-CB 3.19Å; N117-F119 PolarHBondContact OD1-N 3.29Å; F119-A123 VanDerWaalsContact O-CB 3.28Å; F119-A123 WeakPolarHBondContact O-CB 3.35Å; F119-A123 PolarHBondContact O-N 2.93Å; F119-L154 HydrophobicContact CD1-CD1 4.43Å; F119-L154 HydrophobicContact CD1-CD2 4.49Å; F119-L154 HydrophobicContact CE1-CD1 3.95Å; F119-L154 HydrophobicContact CE1-CD2 3.48Å; F119-L154 VanDerWaalsContact CE1-CD2 3.48Å; F119-L154 HydrophobicContact CE1-CG 4.25Å; F119-L154 HydrophobicContact CZ-CD2 3.59Å
120V89.9Confident83.4Confident3 Ų360.5 Ų60.52%0.01829%0.287CS..Hα-helixtrans-65.9-44.1177.51760000111.6N117 L118 H124 L141 K147 L149 L154N117-V120 HydrophobicContact CB-CG2 4.34Å; N117-V120 PolarHBondContact O-N 3.13Å; N117-V120 PolarHBondContact OD1-N 2.86Å; L118-V120 PolarHBondContact O-N 2.72Å; V120-H124 PolarHBondContact O-N 3.01Å; V120-H124 VanDerWaalsContact O-N 3.1Å; V120-L141 HydrophobicContact CG1-CD1 4.33Å; V120-K147 HydrophobicContact CG1-CG 3.95Å; V120-L149 HydrophobicContact CG2-CB 3.9Å; V120-L149 HydrophobicContact CG2-CD1 3.99Å; V120-L149 HydrophobicContact CG2-CG 4.38Å; V120-L154 HydrophobicContact CG2-CD1 4.13Å
121V90.4Very high83.6Confident4 Ų455.8 Ų55.82%0.02427%0.267CS..Hα-helixtrans-66.4-44.6-179.9179.30000110.5A90 F102 W108 N117 L118 A123 H124 E125 Y146A90-V121 HydrophobicContact CB-CG1 3.58Å; F102-V121 HydrophobicContact CD1-CG1 4.11Å; F102-V121 HydrophobicContact CE1-CB 4.48Å; F102-V121 HydrophobicContact CE1-CG1 3.88Å; W108-V121 HydrophobicContact CH2-CB 4.23Å; W108-V121 HydrophobicContact CH2-CG1 3.88Å; W108-V121 HydrophobicContact CH2-CG2 4.28Å; W108-V121 HydrophobicContact CZ3-CB 3.83Å; W108-V121 HydrophobicContact CZ3-CG1 4.01Å; W108-V121 HydrophobicContact CZ3-CG2 3.77Å; N117-V121 PolarHBondContact O-N 2.94Å; L118-V121 PolarHBondContact O-N 3.2Å; V121-A123 PolarHBondContact O-N 3.25Å; V121-H124 WeakPolarHBondContact O-CB 3.4Å; V121-H124 PolarHBondContact O-N 2.91Å; V121-E125 HydrophobicContact CG1-CG 4.41Å; V121-E125 WeakPolarHBondContact O-CG 3.49Å; V121-E125 PolarHBondContact O-N 3.48Å; V121-Y146 HydrophobicContact CB-CD1 4.33Å; V121-Y146 HydrophobicContact CB-CE1 4.13Å; V121-Y146 HydrophobicContact CG1-CD1 4.4Å; V121-Y146 HydrophobicContact CG1-CE1 3.72Å; V121-Y146 HydrophobicContact CG1-CE2 4.39Å; V121-Y146 HydrophobicContact CG2-CD1 3.86Å; V121-Y146 HydrophobicContact CG2-CD2 4.12Å; V121-Y146 HydrophobicContact CG2-CE1 4.01Å; V121-Y146 HydrophobicContact CG2-CE2 4.28Å; V121-Y146 HydrophobicContact CG2-CG 3.88Å
122L90.2Very high84.5Confident68 Ų6854.1 Ų54.136%0.35625%0.254SS..Hα-helixtrans-59.9-47.1176.6174.462.3000112F102 L118 H124 E125 I126F102-L122 HydrophobicContact CE1-CB 4.19Å; F102-L122 HydrophobicContact CE2-CD1 4.18Å; F102-L122 HydrophobicContact CZ-CB 4.06Å; F102-L122 HydrophobicContact CZ-CD1 3.57Å; F102-L122 HydrophobicContact CZ-CG 4.43Å; L118-L122 WeakPolarHBondContact O-CB 3.48Å; L118-L122 PolarHBondContact O-N 3.12Å; L122-H124 VanDerWaalsContact C-N 3.27Å; L122-H124 PolarHBondContact O-N 3.39Å; L122-E125 PolarHBondContact O-N 3.5Å; L122-I126 HydrophobicContact CD1-CD1 3.94Å; L122-I126 HydrophobicContact CD1-CG1 4.12Å; L122-I126 HydrophobicContact CG-CD1 3.9Å; L122-I126 HydrophobicContact CG-CG1 4.48Å; L122-I126 WeakPolarHBondContact O-CG1 3.38Å; L122-I126 PolarHBondContact O-N 2.94Å
123A92.3Very high85.7Confident18 Ų1849.8 Ų49.815%0.14924%0.244CC..Hα-helixtrans-60.5-38.5178.600000111.8F119 V121 G127 L141 L154F119-A123 VanDerWaalsContact O-CB 3.28Å; F119-A123 WeakPolarHBondContact O-CB 3.35Å; F119-A123 PolarHBondContact O-N 2.93Å; V121-A123 PolarHBondContact O-N 3.25Å; A123-G127 PolarHBondContact O-N 3.33Å; A123-G127 VanDerWaalsContact O-N 3.1Å; A123-L141 HydrophobicContact CB-CD1 3.98Å; A123-L141 HydrophobicContact CB-CD2 3.8Å; A123-L141 HydrophobicContact CB-CG 4.48Å; A123-L154 HydrophobicContact CB-CD2 4.02Å
124H94.1Very high86.9Confident0 Ų039.8 Ų39.80%021%0.206CC..Hα-helixtrans-62.4-48.7173178.6104.7000112C50 V120 V121 L122 I126 G127 H128 H134 L141 A143 Y146C50-H124 VanDerWaalsContact CB-NE2 3.33Å; C50-H124 WeakPolarHBondContact CB-NE2 3.28Å; C50-H124 PolarHBondContact SG-NE2 2.88Å; C50-H124 VanDerWaalsContact SG-NE2 3.42Å; V120-H124 PolarHBondContact O-N 3.01Å; V120-H124 VanDerWaalsContact O-N 3.1Å; V121-H124 WeakPolarHBondContact O-CB 3.4Å; V121-H124 PolarHBondContact O-N 2.91Å; L122-H124 VanDerWaalsContact C-N 3.27Å; L122-H124 PolarHBondContact O-N 3.39Å; H124-I126 VanDerWaalsContact C-N 3.32Å; H124-I126 PolarHBondContact O-N 2.9Å; H124-G127 WeakPolarHBondContact O-CA 3.17Å; H124-G127 PolarHBondContact O-N 3.15Å; H124-H128 AromaticContact CD2-CD2 3.8Å; H124-H128 AromaticContact CD2-NE2 3.76Å; H124-H128 AromaticContact NE2-CD2 3.74Å; H124-H128 AromaticContact NE2-NE2 3.19Å; H124-H128 PolarHBondContact NE2-NE2 2.89Å; H124-H128 VanDerWaalsContact NE2-NE2 3.19Å; H124-H128 PolarHBondContact O-N 3.34Å; H124-H134 AromaticContact CE1-CD2 3.61Å; H124-H134 AromaticContact CE1-NE2 3.88Å; H124-H134 AromaticContact NE2-CD2 3.61Å; H124-H134 AromaticContact NE2-NE2 3.47Å; H124-H134 PolarHBondContact NE2-NE2 3.03Å; H124-L141 HydrophobicContact CB-CD1 4.25Å; H124-L141 HydrophobicContact CB-CG 4.46Å; H124-L141 PolarHBondContact ND1-O 2.85Å; H124-A143 PolarHBondContact CE1-O 3.23Å; H124-A143 PolarHBondContact ND1-O 3.04Å; H124-Y146 HydrophobicContact CB-CD1 4.1Å; H124-Y146 HydrophobicContact CB-CE1 3.91Å; H124-Y146 AromaticContact CD2-CE1 3.7Å; H124-Y146 AromaticContact CG-CE1 3.69Å
125E92.5Very high88Confident0 Ų030.8 Ų30.80%017%0.173CC..Hα-helixtrans-65.1-35179.7-60.9-43.6142.200112.2A90 H91 A92 A100 F102 V121 L122 G127 H128 T129 Y146A90-E125 HydrophobicContact CB-CG 3.66Å; A90-E125 WeakPolarHBondContact CB-OE1 3.37Å; H91-E125 WeakPolarHBondContact CA-OE2 3.33Å; A92-E125 HydrophobicContact CB-CB 4.1Å; A92-E125 VanDerWaalsContact CB-O 3.3Å; A92-E125 WeakPolarHBondContact CB-O 3.35Å; A92-E125 PolarHBondContact N-OE2 3.03Å; A100-E125 HydrophobicContact CB-CB 3.73Å; A100-E125 HydrophobicContact CB-CG 4.45Å; F102-E125 HydrophobicContact CE1-CG 4.24Å; F102-E125 HydrophobicContact CZ-CB 4.39Å; F102-E125 HydrophobicContact CZ-CG 4.2Å; V121-E125 HydrophobicContact CG1-CG 4.41Å; V121-E125 WeakPolarHBondContact O-CG 3.49Å; V121-E125 PolarHBondContact O-N 3.48Å; L122-E125 PolarHBondContact O-N 3.5Å; E125-G127 VanDerWaalsContact C-N 3.29Å; E125-G127 PolarHBondContact O-N 3.36Å; E125-H128 WeakPolarHBondContact O-CB 3.34Å; E125-H128 PolarHBondContact O-N 2.94Å; E125-H128 VanDerWaalsContact O-N 3.14Å; E125-H128 IonicContact OE2-CD2 3.76Å; E125-T129 WeakPolarHBondContact O-CG2 3.44Å; E125-T129 PolarHBondContact O-N 3.2Å; E125-T129 VanDerWaalsContact O-N 3.07Å; E125-Y146 PolarHBondContact OE1-OH 2.67Å
126I90.2Very high88.7Confident75 Ų7531.6 Ų31.639%0.38517%0.172SC..Hα-helixtrans-61.9-38.2171.3-70.2169.1000110.8L122 H124 H128 T129 L130L122-I126 HydrophobicContact CD1-CD1 3.94Å; L122-I126 HydrophobicContact CD1-CG1 4.12Å; L122-I126 HydrophobicContact CG-CD1 3.9Å; L122-I126 HydrophobicContact CG-CG1 4.48Å; L122-I126 WeakPolarHBondContact O-CG1 3.38Å; L122-I126 PolarHBondContact O-N 2.94Å; H124-I126 VanDerWaalsContact C-N 3.32Å; H124-I126 PolarHBondContact O-N 2.9Å; I126-H128 PolarHBondContact O-N 3.47Å; I126-T129 WeakPolarHBondContact CA-OG1 3.34Å; I126-T129 PolarHBondContact O-N 3.09Å; I126-T129 PolarHBondContact O-OG1 3.39Å; I126-L130 HydrophobicContact CG2-CD1 4.13Å; I126-L130 HydrophobicContact CG2-CG 4.34Å; I126-L130 WeakPolarHBondContact O-CG 3.32Å; I126-L130 PolarHBondContact O-N 3.27Å
127G89.9Confident89Confident5 Ų529.1 Ų29.15%0.05217%0.169CC..Hα-helixtrans-55.8-40.9173.800000112.1A123 H124 E125 L130 G131 L132A123-G127 PolarHBondContact O-N 3.33Å; A123-G127 VanDerWaalsContact O-N 3.1Å; H124-G127 WeakPolarHBondContact O-CA 3.17Å; H124-G127 PolarHBondContact O-N 3.15Å; E125-G127 VanDerWaalsContact C-N 3.29Å; E125-G127 PolarHBondContact O-N 3.36Å; G127-L130 CarbonylContact O-C 3.52Å; G127-L130 WeakPolarHBondContact O-CB 3.23Å; G127-L130 PolarHBondContact O-N 3.3Å; G127-G131 PolarHBondContact O-N 3.16Å; G127-L132 WeakPolarHBondContact O-CB 3.1Å; G127-L132 WeakPolarHBondContact O-CG 3.27Å; G127-L132 PolarHBondContact O-N 2.93Å
128H88.4Confident88.8Confident3 Ų331.9 Ų31.91%0.01419%0.188CC..Hα-helixtrans-67.9-36173.7-73.3-44.3000113.9A92 H124 E125 I126 L130 G131 L132 H134 M142A92-H128 HydrophobicContact CB-CB 3.59Å; H124-H128 AromaticContact CD2-CD2 3.8Å; H124-H128 AromaticContact CD2-NE2 3.76Å; H124-H128 AromaticContact NE2-CD2 3.74Å; H124-H128 AromaticContact NE2-NE2 3.19Å; H124-H128 PolarHBondContact NE2-NE2 2.89Å; H124-H128 VanDerWaalsContact NE2-NE2 3.19Å; H124-H128 PolarHBondContact O-N 3.34Å; E125-H128 WeakPolarHBondContact O-CB 3.34Å; E125-H128 PolarHBondContact O-N 2.94Å; E125-H128 VanDerWaalsContact O-N 3.14Å; E125-H128 IonicContact OE2-CD2 3.76Å; I126-H128 PolarHBondContact O-N 3.47Å; H128-L130 PolarHBondContact O-N 2.83Å; H128-G131 WeakPolarHBondContact O-CA 3.45Å; H128-G131 PolarHBondContact O-N 2.89Å; H128-L132 PolarHBondContact ND1-O 2.7Å; H128-H134 AromaticContact CE1-CD2 3.47Å; H128-H134 PolarHBondContact CE1-CD2 3.14Å; H128-H134 VanDerWaalsContact CE1-CD2 3.47Å; H128-H134 AromaticContact CE1-NE2 3.67Å; H128-H134 AromaticContact NE2-CD2 3.44Å; H128-H134 PolarHBondContact NE2-CD2 2.93Å; H128-H134 AromaticContact NE2-NE2 3.25Å; H128-H134 PolarHBondContact NE2-NE2 3.31Å; H128-M142 WeakPolarHBondContact CE1-CE 3.41Å; H128-M142 VanDerWaalsContact ND1-CE 3.34Å; H128-M142 WeakPolarHBondContact ND1-CE 3.47Å
129T84.6Confident88.8Confident27 Ų2738.2 Ų38.217%0.16621%0.209CC..Hα-helixtrans-67.3-25.5174.469.30000112A92 P95 G98 E125 I126 G131A92-T129 HydrophobicContact CB-CG2 3.94Å; P95-T129 VanDerWaalsContact CA-O 3.26Å; P95-T129 WeakPolarHBondContact CA-O 3.48Å; P95-T129 WeakPolarHBondContact CB-O 3.45Å; P95-T129 WeakPolarHBondContact CG-O 3.24Å; G98-T129 VanDerWaalsContact O-CG2 3.3Å; G98-T129 WeakPolarHBondContact O-CG2 3.46Å; E125-T129 WeakPolarHBondContact O-CG2 3.44Å; E125-T129 PolarHBondContact O-N 3.2Å; E125-T129 VanDerWaalsContact O-N 3.07Å; I126-T129 WeakPolarHBondContact CA-OG1 3.34Å; I126-T129 PolarHBondContact O-N 3.09Å; I126-T129 PolarHBondContact O-OG1 3.39Å; T129-G131 VanDerWaalsContact C-N 3.28Å
130L86.1Confident88.9Confident70 Ų7034.4 Ų34.437%0.36619%0.192SC..THydrogen-bonded Turntrans-81.8-0.3169-61.8174.6000113.5I126 G127 H128 L166 Y167I126-L130 HydrophobicContact CG2-CD1 4.13Å; I126-L130 HydrophobicContact CG2-CG 4.34Å; I126-L130 WeakPolarHBondContact O-CG 3.32Å; I126-L130 PolarHBondContact O-N 3.27Å; G127-L130 CarbonylContact O-C 3.52Å; G127-L130 WeakPolarHBondContact O-CB 3.23Å; G127-L130 PolarHBondContact O-N 3.3Å; H128-L130 PolarHBondContact O-N 2.83Å; L130-L166 WeakPolarHBondContact O-CD1 3.42Å; L130-Y167 HydrophobicContact CB-CE2 4.3Å; L130-Y167 WeakPolarHBondContact O-CE2 3.23Å; L130-Y167 PolarHBondContact O-OH 3.39Å
131G84.4Confident89Confident20 Ų2034.7 Ų34.721%0.20619%0.193CC..THydrogen-bonded Turntrans88.66.2176.200000115G127 H128 T129G127-G131 PolarHBondContact O-N 3.16Å; H128-G131 WeakPolarHBondContact O-CA 3.45Å; H128-G131 PolarHBondContact O-N 2.89Å; T129-G131 VanDerWaalsContact C-N 3.28Å
132L89.3Confident89.2Confident16 Ų1634.7 Ų34.78%0.08419%0.193CC..  trans-66.1147.2171.5-53.8-179.5000110.5G127 H128 M142 A162 V163 L166G127-L132 WeakPolarHBondContact O-CB 3.1Å; G127-L132 WeakPolarHBondContact O-CG 3.27Å; G127-L132 PolarHBondContact O-N 2.93Å; H128-L132 PolarHBondContact ND1-O 2.7Å; L132-M142 HydrophobicContact CB-CE 3.98Å; L132-M142 HydrophobicContact CB-CG 4.06Å; L132-M142 HydrophobicContact CB-SD 4.21Å; L132-M142 HydrophobicContact CD1-CG 3.93Å; L132-M142 HydrophobicContact CD1-SD 4.2Å; L132-A162 HydrophobicContact CD2-CB 3.84Å; L132-V163 HydrophobicContact CD1-CB 4.4Å; L132-V163 HydrophobicContact CD2-CB 4.14Å; L132-L166 HydrophobicContact CD2-CD1 3.76Å
133T90.4Very high89.3Confident55 Ų5531.7 Ų31.734%0.33718%0.178SC..  trans-107.7169175.467.70000109.3N56 S135N56-T133 HydrophobicContact CB-CG2 3.49Å; N56-T133 VanDerWaalsContact CB-CG2 3.49Å; T133-S135 PolarHBondContact O-N 2.84Å
134H91.3Very high89.3Confident4 Ų430.9 Ų30.92%0.01917%0.171CC..  trans-61.6136178.9-67144.5000111.5C50 V52 D54 S57 H124 H128 M142 P144C50-H134 WeakPolarHBondContact CB-NE2 3.29Å; C50-H134 PolarHBondContact SG-NE2 3.43Å; C50-H134 VanDerWaalsContact SG-NE2 3.41Å; V52-H134 PolarHBondContact O-CE1 3.22Å; D54-H134 IonicContact OD1-CE1 3.82Å; D54-H134 PolarHBondContact OD1-CE1 3.03Å; D54-H134 IonicContact OD1-CG 2.7Å; D54-H134 IonicContact OD1-ND1 2.69Å; D54-H134 PolarHBondContact OD1-ND1 3.18Å; S57-H134 VanDerWaalsContact CB-O 3.24Å; S57-H134 WeakPolarHBondContact CB-O 3.49Å; S57-H134 WeakPolarHBondContact OG-CA 3.2Å; S57-H134 WeakPolarHBondContact OG-CB 3.29Å; S57-H134 PolarHBondContact OG-N 2.9Å; S57-H134 PolarHBondContact OG-O 3.19Å; H124-H134 AromaticContact CE1-CD2 3.61Å; H124-H134 AromaticContact CE1-NE2 3.88Å; H124-H134 AromaticContact NE2-CD2 3.61Å; H124-H134 AromaticContact NE2-NE2 3.47Å; H124-H134 PolarHBondContact NE2-NE2 3.03Å; H128-H134 AromaticContact CE1-CD2 3.47Å; H128-H134 PolarHBondContact CE1-CD2 3.14Å; H128-H134 VanDerWaalsContact CE1-CD2 3.47Å; H128-H134 AromaticContact CE1-NE2 3.67Å; H128-H134 AromaticContact NE2-CD2 3.44Å; H128-H134 PolarHBondContact NE2-CD2 2.93Å; H128-H134 AromaticContact NE2-NE2 3.25Å; H128-H134 PolarHBondContact NE2-NE2 3.31Å; H134-M142 CarbonylContact C-O 3.51Å; H134-M142 WeakPolarHBondContact CA-O 3.17Å; H134-P144 HydrophobicContact CB-CB 4.42Å
135S90.1Very high89.1Confident4 Ų432 Ų323%0.02818%0.176CC..  trans-85.4139.1172.6177.40000110.5T133 A137 A140 M142 P144 D158T133-S135 PolarHBondContact O-N 2.84Å; S135-A137 PolarHBondContact O-N 3.49Å; S135-A137 WeakPolarHBondContact OG-CB 3.3Å; S135-A137 PolarHBondContact OG-N 3.19Å; S135-A140 WeakPolarHBondContact OG-CB 3.4Å; S135-M142 PolarHBondContact N-O 3.39Å; S135-P144 WeakPolarHBondContact O-CD 3.42Å; S135-D158 WeakPolarHBondContact CB-OD2 3.36Å; S135-D158 PolarHBondContact OG-OD2 3.2Å
136P85.3Confident88.9Confident52 Ų5233.8 Ų33.834%0.33818%0.183SC..SBendtrans-76.1-3.2168.734.4-35.6000112.6Q30Q30-P136 VanDerWaalsContact CD-O 3.3Å; Q30-P136 WeakPolarHBondContact CG-O 2.85Å; Q30-P136 PolarHBondContact NE2-O 3.31Å
137A87.2Confident88.6Confident31 Ų3131.9 Ų31.926%0.25617%0.172SC..SBendtrans-82.9131.4-178.600000112.1Q30 S135 R139 A140 A143Q30-A137 VanDerWaalsContact NE2-C 3.27Å; S135-A137 PolarHBondContact O-N 3.49Å; S135-A137 WeakPolarHBondContact OG-CB 3.3Å; S135-A137 PolarHBondContact OG-N 3.19Å; A137-R139 PolarHBondContact O-N 3.06Å; A137-R139 VanDerWaalsContact O-N 3.14Å; A137-A140 HydrophobicContact CB-CB 4.05Å; A137-A140 WeakPolarHBondContact O-CB 3.44Å; A137-A140 PolarHBondContact O-N 3.25Å; A137-A143 WeakPolarHBondContact O-CB 3.25Å
138P83.6Confident88.3Confident81 Ų8142.6 Ų42.653%0.52621%0.211SC..THydrogen-bonded Turntrans-61.7-29.3-171.43.6-11.9000115.2Q30Q30-P138 VanDerWaalsContact CD-CD 3.49Å; Q30-P138 VanDerWaalsContact NE2-CD 3.33Å
139R86.1Confident87.6Confident186 Ų18644.8 Ų44.870%0.70222%0.222SC*.THydrogen-bonded Turntrans-105.7-0.6-171.6-62.3-175.4176.8157.3-1.1112.4A137 K147A137-R139 PolarHBondContact O-N 3.06Å; A137-R139 VanDerWaalsContact O-N 3.14Å; R139-K147 PolarHBondContact O-NZ 2.74Å; R139-K147 VanDerWaalsContact O-NZ 3.1Å
140A90.8Very high87.1Confident1 Ų144.9 Ų44.91%0.00823%0.228CC..  trans-66.1143.8174.700000110.3S135 A137 M142 A143 S156 D159S135-A140 WeakPolarHBondContact OG-CB 3.4Å; A137-A140 HydrophobicContact CB-CB 4.05Å; A137-A140 WeakPolarHBondContact O-CB 3.44Å; A137-A140 PolarHBondContact O-N 3.25Å; A140-M142 PolarHBondContact O-N 3.45Å; A140-A143 VanDerWaalsContact O-CB 3.26Å; A140-A143 WeakPolarHBondContact O-CB 3.4Å; A140-A143 PolarHBondContact O-N 2.77Å; A140-S156 WeakPolarHBondContact CA-OG 3.37Å; A140-S156 WeakPolarHBondContact CB-OG 3.34Å; A140-D159 WeakPolarHBondContact CA-OD2 3.48Å
141L92.9Very high86.4Confident9 Ų953 Ų535%0.04725%0.254CS..THydrogen-bonded Turntrans-59-41.5170.1177.163000109.5V120 A123 H124 A143 L154 L155 D159V120-L141 HydrophobicContact CG1-CD1 4.33Å; A123-L141 HydrophobicContact CB-CD1 3.98Å; A123-L141 HydrophobicContact CB-CD2 3.8Å; A123-L141 HydrophobicContact CB-CG 4.48Å; H124-L141 HydrophobicContact CB-CD1 4.25Å; H124-L141 HydrophobicContact CB-CG 4.46Å; H124-L141 PolarHBondContact ND1-O 2.85Å; L141-A143 PolarHBondContact O-N 3.38Å; L141-L154 HydrophobicContact CD1-CD1 4.01Å; L141-L154 HydrophobicContact CD1-CG 4.31Å; L141-L154 HydrophobicContact CD2-CG 4.5Å; L141-L155 HydrophobicContact CB-CD2 4.32Å; L141-L155 HydrophobicContact CD2-CD2 3.5Å; L141-D159 VanDerWaalsContact N-CG 3.31Å; L141-D159 PolarHBondContact N-OD1 3.2Å; L141-D159 VanDerWaalsContact N-OD1 3.09Å; L141-D159 PolarHBondContact N-OD2 2.73Å
142M93.4Very high85.8Confident4 Ų457.5 Ų57.52%0.0227%0.273CS..THydrogen-bonded Turntrans-77.89178.3-62-50.8-59.100114.3H128 L132 H134 S135 A140 D159H128-M142 WeakPolarHBondContact CE1-CE 3.41Å; H128-M142 VanDerWaalsContact ND1-CE 3.34Å; H128-M142 WeakPolarHBondContact ND1-CE 3.47Å; L132-M142 HydrophobicContact CB-CE 3.98Å; L132-M142 HydrophobicContact CB-CG 4.06Å; L132-M142 HydrophobicContact CB-SD 4.21Å; L132-M142 HydrophobicContact CD1-CG 3.93Å; L132-M142 HydrophobicContact CD1-SD 4.2Å; H134-M142 CarbonylContact C-O 3.51Å; H134-M142 WeakPolarHBondContact CA-O 3.17Å; S135-M142 PolarHBondContact N-O 3.39Å; A140-M142 PolarHBondContact O-N 3.45Å; M142-D159 WeakPolarHBondContact CG-OD1 3.32Å; M142-D159 PolarHBondContact N-OD1 3.14Å
143A92.4Very high85.4Confident4 Ų460.2 Ų60.23%0.03330%0.299CS..  trans-60.7137.2170.900000110.1H124 A137 A140 L141 Y145H124-A143 PolarHBondContact CE1-O 3.23Å; H124-A143 PolarHBondContact ND1-O 3.04Å; A137-A143 WeakPolarHBondContact O-CB 3.25Å; A140-A143 VanDerWaalsContact O-CB 3.26Å; A140-A143 WeakPolarHBondContact O-CB 3.4Å; A140-A143 PolarHBondContact O-N 2.77Å; L141-A143 PolarHBondContact O-N 3.38Å; A143-Y145 PolarHBondContact O-N 3.26Å
144P91.6Very high85.2Confident2 Ų259.5 Ų59.51%0.01329%0.292CS..SBendtrans-63.1-31-173.819.3-28.8000113.4V28 R49 C50 H134 S135V28-P144 HydrophobicContact CG1-CG 3.8Å; R49-P144 WeakPolarHBondContact CA-O 3.38Å; R49-P144 VanDerWaalsContact CB-O 3.26Å; R49-P144 WeakPolarHBondContact CB-O 3.44Å; R49-P144 VanDerWaalsContact CZ-CB 3.5Å; C50-P144 PolarHBondContact N-O 3.17Å; H134-P144 HydrophobicContact CB-CB 4.42Å; S135-P144 WeakPolarHBondContact O-CD 3.42Å
145Y91.6Very high85.2Confident24 Ų2463.8 Ų63.89%0.09432%0.315CS..SBendtrans-95.5118.1171.7-57.5-88.5000108F25 S29 Q44 R47 R49 A143 K147F25-Y145 WeakPolarHBondContact CE2-OH 3.43Å; F25-Y145 WeakPolarHBondContact CZ-OH 3.21Å; S29-Y145 WeakPolarHBondContact OG-CE2 3.26Å; S29-Y145 PolarHBondContact OG-OH 3.21Å; Q44-Y145 HydrophobicContact CG-CE1 4.43Å; Q44-Y145 HydrophobicContact CG-CE2 4.2Å; Q44-Y145 VanDerWaalsContact NE2-CD2 3.3Å; Q44-Y145 VanDerWaalsContact NE2-CE1 3.25Å; Q44-Y145 PolarHBondContact O-OH 2.87Å; R47-Y145 HydrophobicContact CB-CD1 3.98Å; R47-Y145 HydrophobicContact CB-CE1 3.85Å; R49-Y145 HydrophobicContact CB-CD1 3.63Å; R49-Y145 HydrophobicContact CB-CE1 3.75Å; R49-Y145 HydrophobicContact CB-CG 4.25Å; R49-Y145 HydrophobicContact CG-CE1 4.16Å; R49-Y145 PolarHBondContact NH1-OH 2.85Å; R49-Y145 VanDerWaalsContact NH1-OH 3.08Å; A143-Y145 PolarHBondContact O-N 3.26Å; Y145-K147 PolarHBondContact O-N 2.99Å
146Y86.5Confident85.2Confident36 Ų3664.8 Ų64.814%0.14132%0.322CS..PPolyproline II helixtrans-57.2128.8-174.5-54.6-76000111.9C50 L89 V121 H124 E125C50-Y146 VanDerWaalsContact CA-OH 3.27Å; C50-Y146 WeakPolarHBondContact CA-OH 3.44Å; C50-Y146 HydrophobicContact CB-CE1 4.31Å; L89-Y146 HydrophobicContact CB-CD2 4.49Å; L89-Y146 HydrophobicContact CB-CE2 3.62Å; L89-Y146 HydrophobicContact CD1-CD2 3.28Å; L89-Y146 HydrophobicContact CD1-CE2 3.27Å; L89-Y146 HydrophobicContact CD1-CG 4.49Å; L89-Y146 HydrophobicContact CG-CD2 4.19Å; L89-Y146 HydrophobicContact CG-CE2 3.68Å; V121-Y146 HydrophobicContact CB-CD1 4.33Å; V121-Y146 HydrophobicContact CB-CE1 4.13Å; V121-Y146 HydrophobicContact CG1-CD1 4.4Å; V121-Y146 HydrophobicContact CG1-CE1 3.72Å; V121-Y146 HydrophobicContact CG1-CE2 4.39Å; V121-Y146 HydrophobicContact CG2-CD1 3.86Å; V121-Y146 HydrophobicContact CG2-CD2 4.12Å; V121-Y146 HydrophobicContact CG2-CE1 4.01Å; V121-Y146 HydrophobicContact CG2-CE2 4.28Å; V121-Y146 HydrophobicContact CG2-CG 3.88Å; H124-Y146 HydrophobicContact CB-CD1 4.1Å; H124-Y146 HydrophobicContact CB-CE1 3.91Å; H124-Y146 AromaticContact CD2-CE1 3.7Å; H124-Y146 AromaticContact CG-CE1 3.69Å; E125-Y146 PolarHBondContact OE1-OH 2.67Å
147K85.8Confident85.3Confident35 Ų3572.3 Ų72.315%0.15234%0.344CS..PPolyproline II helixtrans-64151.3173.365.7-173.8-83.8179.70110.5V120 R139 Y145 A153 L154V120-K147 HydrophobicContact CG1-CG 3.95Å; R139-K147 PolarHBondContact O-NZ 2.74Å; R139-K147 VanDerWaalsContact O-NZ 3.1Å; Y145-K147 PolarHBondContact O-N 2.99Å; K147-A153 PolarHBondContact NZ-O 2.97Å; K147-L154 PolarHBondContact NZ-O 3.18Å
148R82Confident85.4Confident231 Ų23174.1 Ų74.187%0.87235%0.349SS*.PPolyproline II helixtrans-75.5140.9167.5-66.4-179.374-173.13108.8G150R148-G150 VanDerWaalsContact C-N 3.32Å; R148-G150 PolarHBondContact O-N 2.94Å
149L74.8Confident85.7Confident49 Ų4970.5 Ų70.526%0.25733%0.325SS..  trans-7089.9173.2-171.261.1000109.3R112 N117 V120R112-L149 HydrophobicContact CG-CB 4.23Å; R112-L149 HydrophobicContact CG-CD2 4.25Å; R112-L149 HydrophobicContact CG-CG 4.27Å; R112-L149 WeakPolarHBondContact CG-O 3.46Å; R112-L149 PolarHBondContact NE-O 3.49Å; N117-L149 WeakPolarHBondContact ND2-CD2 3.26Å; V120-L149 HydrophobicContact CG2-CB 3.9Å; V120-L149 HydrophobicContact CG2-CD1 3.99Å; V120-L149 HydrophobicContact CG2-CG 4.38Å
150G73.1Confident85.9Confident29 Ų2963.4 Ų63.430%0.29930%0.303SS..  trans-94.7-177.717300000111.8R112 R148 D152R112-G150 PolarHBondContact NH2-O 3.41Å; R148-G150 VanDerWaalsContact C-N 3.32Å; R148-G150 PolarHBondContact O-N 2.94Å; G150-D152 PolarHBondContact O-N 3.45Å; G150-D152 VanDerWaalsContact O-N 3.16Å
151R70.9Confident85.8Confident239 Ų23968.3 Ų68.390%0.90233%0.328SS*.SBendtrans-64.6-12.2178.5-70.6-169.5-71.5-157.1-1.5113.8
152D72.6Confident85.5Confident115 Ų11569.7 Ų69.762%0.61534%0.341SS*.SBendtrans-69.3159.1179.6-49.4-36.9000111.9G150G150-D152 PolarHBondContact O-N 3.45Å; G150-D152 VanDerWaalsContact O-N 3.16Å
153A81.1Confident85.3Confident74 Ų7471.8 Ų71.861%0.61235%0.354SS*.  trans-54.4143.2171.200000111.5K147K147-A153 PolarHBondContact NZ-O 2.97Å
154L86.4Confident85.1Confident40 Ų4074.1 Ų74.121%0.20936%0.364CS..SBendtrans-62.5-52.1176.7-178.769.1000110.5F119 V120 A123 L141 K147F119-L154 HydrophobicContact CD1-CD1 4.43Å; F119-L154 HydrophobicContact CD1-CD2 4.49Å; F119-L154 HydrophobicContact CE1-CD1 3.95Å; F119-L154 HydrophobicContact CE1-CD2 3.48Å; F119-L154 VanDerWaalsContact CE1-CD2 3.48Å; F119-L154 HydrophobicContact CE1-CG 4.25Å; F119-L154 HydrophobicContact CZ-CD2 3.59Å; V120-L154 HydrophobicContact CG2-CD1 4.13Å; A123-L154 HydrophobicContact CB-CD2 4.02Å; L141-L154 HydrophobicContact CD1-CD1 4.01Å; L141-L154 HydrophobicContact CD1-CG 4.31Å; L141-L154 HydrophobicContact CD2-CG 4.5Å; K147-L154 PolarHBondContact NZ-O 3.18Å
155L90Very high84.9Confident93 Ų9379 Ų7949%0.48740%0.398SS..SBendtrans-84130.8177-59.1177.9000110.1L141 D159 V160L141-L155 HydrophobicContact CB-CD2 4.32Å; L141-L155 HydrophobicContact CD2-CD2 3.5Å; L155-D159 HydrophobicContact CD2-CB 4.22Å; L155-V160 HydrophobicContact CB-CG2 4.23Å
156S90.2Very high84.6Confident26 Ų2682.3 Ų82.318%0.18242%0.417CS..  trans-86.4167.1166.776.30000110.8A140 D158 D159 V160A140-S156 WeakPolarHBondContact CA-OG 3.37Å; A140-S156 WeakPolarHBondContact CB-OG 3.34Å; S156-D158 PolarHBondContact O-N 3.14Å; S156-D158 PolarHBondContact OG-N 3.09Å; S156-D159 WeakPolarHBondContact CA-OD2 3.4Å; S156-D159 VanDerWaalsContact CB-OD2 3.27Å; S156-D159 WeakPolarHBondContact CB-OD2 3.29Å; S156-D159 PolarHBondContact N-OD2 3.15Å; S156-D159 PolarHBondContact O-N 2.8Å; S156-D159 VanDerWaalsContact O-N 3.14Å; S156-D159 PolarHBondContact OG-N 3.27Å; S156-D159 PolarHBondContact OG-OD2 3.11Å; S156-V160 WeakPolarHBondContact O-CG2 3.5Å; S156-V160 PolarHBondContact O-N 3.07Å; S156-V160 VanDerWaalsContact O-N 3.12Å
157W87.8Confident84.6Confident210 Ų21087.2 Ų87.280%0.79544%0.436SS*.Hα-helixtrans-55.7-35.7171.4-78.6110.4000113.2V160 L161W157-V160 PolarHBondContact O-N 2.94Å; W157-L161 WeakPolarHBondContact O-CB 3.41Å; W157-L161 VanDerWaalsContact O-CG 3.29Å; W157-L161 WeakPolarHBondContact O-CG 3.22Å; W157-L161 PolarHBondContact O-N 2.92Å
158D89.4Confident84.7Confident69 Ų6987.6 Ų87.637%0.36945%0.45SS..Hα-helixtrans-64.4-41.5177.6-169.979.6000111.4S135 S156 L161 A162S135-D158 WeakPolarHBondContact CB-OD2 3.36Å; S135-D158 PolarHBondContact OG-OD2 3.2Å; S156-D158 PolarHBondContact O-N 3.14Å; S156-D158 PolarHBondContact OG-N 3.09Å; D158-L161 PolarHBondContact O-N 3.26Å; D158-A162 VanDerWaalsContact O-CB 3.23Å; D158-A162 WeakPolarHBondContact O-CB 3.48Å; D158-A162 PolarHBondContact O-N 3.38Å
159D90.5Very high84.9Confident5 Ų584.6 Ų84.63%0.02744%0.443CS..Hα-helixtrans-65.4-42.5177.5-52.5-68.5000111.4A140 L141 M142 L155 S156 A162 V163A140-D159 WeakPolarHBondContact CA-OD2 3.48Å; L141-D159 VanDerWaalsContact N-CG 3.31Å; L141-D159 PolarHBondContact N-OD1 3.2Å; L141-D159 VanDerWaalsContact N-OD1 3.09Å; L141-D159 PolarHBondContact N-OD2 2.73Å; M142-D159 WeakPolarHBondContact CG-OD1 3.32Å; M142-D159 PolarHBondContact N-OD1 3.14Å; L155-D159 HydrophobicContact CD2-CB 4.22Å; S156-D159 WeakPolarHBondContact CA-OD2 3.4Å; S156-D159 VanDerWaalsContact CB-OD2 3.27Å; S156-D159 WeakPolarHBondContact CB-OD2 3.29Å; S156-D159 PolarHBondContact N-OD2 3.15Å; S156-D159 PolarHBondContact O-N 2.8Å; S156-D159 VanDerWaalsContact O-N 3.14Å; S156-D159 PolarHBondContact OG-N 3.27Å; S156-D159 PolarHBondContact OG-OD2 3.11Å; D159-A162 PolarHBondContact O-N 2.69Å; D159-V163 PolarHBondContact O-N 2.93Å
160V90.1Very high85.3Confident37 Ų3786.9 Ų86.922%0.22446%0.461CS..Hα-helixtrans-64.7-46.2178.8174.40000110.9L155 S156 W157 A162 V163 Q164L155-V160 HydrophobicContact CB-CG2 4.23Å; S156-V160 WeakPolarHBondContact O-CG2 3.5Å; S156-V160 PolarHBondContact O-N 3.07Å; S156-V160 VanDerWaalsContact O-N 3.12Å; W157-V160 PolarHBondContact O-N 2.94Å; V160-A162 VanDerWaalsContact C-N 3.35Å; V160-V163 WeakPolarHBondContact O-CG1 3.48Å; V160-Q164 HydrophobicContact CG1-CG 4.41Å; V160-Q164 WeakPolarHBondContact O-CB 3.43Å; V160-Q164 WeakPolarHBondContact O-CG 3.24Å; V160-Q164 PolarHBondContact O-N 3.18Å
161L88.3Confident85.4Confident104 Ų10494.7 Ų94.755%0.54550%0.495SS..Hα-helixtrans-64.6-41177.6-72.1173.5000111.4W157 D158 Q164 S165W157-L161 WeakPolarHBondContact O-CB 3.41Å; W157-L161 VanDerWaalsContact O-CG 3.29Å; W157-L161 WeakPolarHBondContact O-CG 3.22Å; W157-L161 PolarHBondContact O-N 2.92Å; D158-L161 PolarHBondContact O-N 3.26Å; L161-Q164 PolarHBondContact O-N 2.9Å; L161-S165 WeakPolarHBondContact O-CB 3.37Å; L161-S165 PolarHBondContact O-N 2.76Å
162A87.6Confident84.9Confident38 Ų3885.2 Ų85.231%0.31447%0.472SS..Hα-helixtrans-63.3-44.8179.900000112L132 D158 D159 V160 S165 L166L132-A162 HydrophobicContact CD2-CB 3.84Å; D158-A162 VanDerWaalsContact O-CB 3.23Å; D158-A162 WeakPolarHBondContact O-CB 3.48Å; D158-A162 PolarHBondContact O-N 3.38Å; D159-A162 PolarHBondContact O-N 2.69Å; V160-A162 VanDerWaalsContact C-N 3.35Å; A162-S165 WeakPolarHBondContact O-CB 3.42Å; A162-S165 PolarHBondContact O-N 3.24Å; A162-L166 PolarHBondContact O-N 3.39Å
163V88.2Confident83.9Confident47 Ų4783.6 Ų83.629%0.28548%0.482SS..Hα-helixtrans-70.1-38.6177.672.90000112.1L132 D159 V160 S165 L166 Y167L132-V163 HydrophobicContact CD1-CB 4.4Å; L132-V163 HydrophobicContact CD2-CB 4.14Å; D159-V163 PolarHBondContact O-N 2.93Å; V160-V163 WeakPolarHBondContact O-CG1 3.48Å; V163-S165 VanDerWaalsContact C-N 3.28Å; V163-S165 PolarHBondContact O-N 2.91Å; V163-L166 PolarHBondContact O-N 2.93Å; V163-L166 VanDerWaalsContact O-N 3.1Å; V163-Y167 HydrophobicContact CG2-CD2 3.79Å; V163-Y167 HydrophobicContact CG2-CE2 4.25Å; V163-Y167 WeakPolarHBondContact O-CD2 3.48Å; V163-Y167 PolarHBondContact O-N 3.34Å
164Q88.3Confident82.5Confident53 Ų5386 Ų8625%0.24849%0.494CS..Hα-helixtrans-67.2-29.4175.5-71.9176.8-0.400112.4V160 L161 L166 G168V160-Q164 HydrophobicContact CG1-CG 4.41Å; V160-Q164 WeakPolarHBondContact O-CB 3.43Å; V160-Q164 WeakPolarHBondContact O-CG 3.24Å; V160-Q164 PolarHBondContact O-N 3.18Å; L161-Q164 PolarHBondContact O-N 2.9Å; Q164-L166 PolarHBondContact O-N 2.88Å; Q164-G168 WeakPolarHBondContact CA-O 3.44Å; Q164-G168 CarbonylContact O-C 3.46Å; Q164-G168 WeakPolarHBondContact O-CA 2.99Å; Q164-G168 PolarHBondContact O-N 3.12Å
165S86.8Confident80.6Confident104 Ų10489.4 Ų89.473%0.72752%0.516SS*.Hα-helixtrans-66.7-25.9172.8-177.40000112.8L161 A162 V163L161-S165 WeakPolarHBondContact O-CB 3.37Å; L161-S165 PolarHBondContact O-N 2.76Å; A162-S165 WeakPolarHBondContact O-CB 3.42Å; A162-S165 PolarHBondContact O-N 3.24Å; V163-S165 VanDerWaalsContact C-N 3.28Å; V163-S165 PolarHBondContact O-N 2.91Å
166L85.3Confident78.5Confident94 Ų9488.8 Ų88.849%0.49253%0.525SS..Hα-helixtrans-89-37.3178.5-66.5-179.4000112.5L130 L132 A162 V163 Q164L130-L166 WeakPolarHBondContact O-CD1 3.42Å; L132-L166 HydrophobicContact CD2-CD1 3.76Å; A162-L166 PolarHBondContact O-N 3.39Å; V163-L166 PolarHBondContact O-N 2.93Å; V163-L166 VanDerWaalsContact O-N 3.1Å; Q164-L166 PolarHBondContact O-N 2.88Å
167Y87.5Confident76.3Confident140 Ų14092.7 Ų92.755%0.54955%0.547SS..Hα-helixtrans-120.9-2-168-61.9-75.2000114.6L130 V163L130-Y167 HydrophobicContact CB-CE2 4.3Å; L130-Y167 WeakPolarHBondContact O-CE2 3.23Å; L130-Y167 PolarHBondContact O-OH 3.39Å; V163-Y167 HydrophobicContact CG2-CD2 3.79Å; V163-Y167 HydrophobicContact CG2-CE2 4.25Å; V163-Y167 WeakPolarHBondContact O-CD2 3.48Å; V163-Y167 PolarHBondContact O-N 3.34Å
168G87.9Confident74Confident42 Ų4287.5 Ų87.543%0.43353%0.532SS..  trans85.4171.1-174.300000113.5Q164Q164-G168 WeakPolarHBondContact CA-O 3.44Å; Q164-G168 CarbonylContact O-C 3.46Å; Q164-G168 WeakPolarHBondContact O-CA 2.99Å; Q164-G168 PolarHBondContact O-N 3.12Å
169K86.7Confident71.6Confident168 Ų16890 Ų9073%0.7354%0.544SS*.  trans-74.7147.1172.7-68-179-179.3178.20109.9L171K169-L171 PolarHBondContact O-N 2.7Å
170P83.5Confident69Low98 Ų9896 Ų9664%0.63658%0.584SS**  trans-55.8134.7172.6-2131.4000111G172P170-G172 PolarHBondContact O-N 2.65Å
171L74Confident66.5Low192 Ų19295.3 Ų95.3100%1.00559%0.585SS**SBendtrans-7515.8-174.1-72.3168000114.9K169K169-L171 PolarHBondContact O-N 2.7Å
172G60.7Low64Low41 Ų4197.8 Ų97.842%0.42359%0.591SS.*SBendtrans-147130179.600000110.9P170 S174P170-G172 PolarHBondContact O-N 2.65Å; G172-S174 PolarHBondContact O-N 2.93Å; G172-S174 VanDerWaalsContact O-N 3.07Å
173G51.5Low61.8Low80 Ų80101.8 Ų101.883%0.82561%0.607SS**THydrogen-bonded Turntrans-50.2116.7178.500000110.3V175G173-V175 PolarHBondContact O-N 2.87Å
174S50.9Low59.7Low124 Ų124105.6 Ų105.687%0.86762%0.619SS**THydrogen-bonded Turntrans27.652.6172.2-55.30000114.8G172 A176G172-S174 PolarHBondContact O-N 2.93Å; G172-S174 VanDerWaalsContact O-N 3.07Å; S174-A176 PolarHBondContact O-N 3.3Å
175V47.3Very low57.3Low112 Ų112108.1 Ų108.168%0.67964%0.639SS**  trans-70.588.1149-173.70000102G173 V177G173-V175 PolarHBondContact O-N 2.87Å; V175-V177 HydrophobicContact CG1-CG2 4.35Å; V175-V177 PolarHBondContact O-N 2.82Å
176A46.7Very low54.9Low81 Ų81108.5 Ų108.567%0.66963%0.632SS**  trans-47.796.2144.700000102.8S174 Q178S174-A176 PolarHBondContact O-N 3.3Å; A176-Q178 PolarHBondContact O-N 3.36Å
177V43.9Very low52.9Low107 Ų107110.7 Ų110.765%0.64864%0.638SS**  trans-55.2100.5158172.7000099.9V175 L179V175-V177 HydrophobicContact CG1-CG2 4.35Å; V175-V177 PolarHBondContact O-N 2.82Å; V177-L179 HydrophobicContact CG1-CD2 4.3Å; V177-L179 PolarHBondContact O-N 3.43Å
178Q38.8Very low50.6Low101 Ų101111.4 Ų111.447%0.47265%0.647SS.*  trans-59.286.6163.8-170.480.473.900100.9A176 P180 K182A176-Q178 PolarHBondContact O-N 3.36Å; Q178-P180 VanDerWaalsContact O-N 3.13Å; Q178-K182 VanDerWaalsContact CD-CD 3.45Å; Q178-K182 HydrophobicContact CG-CB 4.41Å; Q178-K182 VanDerWaalsContact NE2-CB 3.27Å
179L38.7Very low48.2Very low121 Ų121120 Ų12063%0.63469%0.691SS**  trans-46.3128.8161.1-67.5172.8000102.6V177 G181 K182V177-L179 HydrophobicContact CG1-CD2 4.3Å; V177-L179 PolarHBondContact O-N 3.43Å; L179-G181 CarbonylContact O-C 3.45Å; L179-G181 WeakPolarHBondContact O-CA 3.47Å; L179-G181 PolarHBondContact O-N 3.08Å; L179-K182 PolarHBondContact O-N 3.12Å
180P35.5Very low46.3Very low131 Ų131117.6 Ų117.685%0.85169%0.689SS**THydrogen-bonded Turntrans-52.3104.6167.621.4-29.2000105.4Q178Q178-P180 VanDerWaalsContact O-N 3.13Å
181G37.7Very low44.3Very low24 Ų24118.6 Ų118.625%0.24769%0.692CS.*THydrogen-bonded Turntrans156.1-4.4-142.400000114.5L179 L183 F184L179-G181 CarbonylContact O-C 3.45Å; L179-G181 WeakPolarHBondContact O-CA 3.47Å; L179-G181 PolarHBondContact O-N 3.08Å; G181-L183 PolarHBondContact O-N 3.28Å; G181-F184 WeakPolarHBondContact O-CD2 3.36Å
182K37.3Very low42.7Very low155 Ų155114.5 Ų114.567%0.67467%0.674SS**SBendtrans-61.5-5.2140.1-119.9174-158.5160.10112.1Q178 L179Q178-K182 VanDerWaalsContact CD-CD 3.45Å; Q178-K182 HydrophobicContact CG-CB 4.41Å; Q178-K182 VanDerWaalsContact NE2-CB 3.27Å; L179-K182 PolarHBondContact O-N 3.12Å
183L40.7Very low41.6Very low123 Ų123118.8 Ų118.864%0.64469%0.689SS**  trans-107.461.8170.5-12994.5000110.9G181G181-L183 PolarHBondContact O-N 3.28Å
184F44.4Very low41Very low126 Ų126121.3 Ų121.355%0.55368%0.68SS**  trans-117.118.1156.8-73.8-78.5000110.8G181 F187G181-F184 WeakPolarHBondContact O-CD2 3.36Å; F184-F187 HydrophobicContact CD1-CD2 4.13Å; F184-F187 AromaticContact CD1-CE2 3.48Å; F184-F187 HydrophobicContact CD1-CE2 3.48Å; F184-F187 VanDerWaalsContact CD1-CE2 3.48Å; F184-F187 HydrophobicContact CD1-CZ 4.44Å; F184-F187 AromaticContact CE1-CE2 3.97Å; F184-F187 HydrophobicContact CE1-CE2 3.97Å; F184-F187 HydrophobicContact CG-CE2 4.48Å
185T36.8Very low40.3Very low107 Ų107121.1 Ų121.166%0.65667%0.668SS**SBendtrans-79.9-17.3170.849.60000112.7
186D36.5Very low39.8Very low111 Ų111121.7 Ų121.759%0.59467%0.667SS**  trans-111.153-168.6-56.2-8.7000112.1
187F44.3Very low39.3Very low141 Ų141124.8 Ų124.862%0.61867%0.667SS**  trans-114.431.3163.2-68.4-77.3000111.5F184F184-F187 HydrophobicContact CD1-CD2 4.13Å; F184-F187 AromaticContact CD1-CE2 3.48Å; F184-F187 HydrophobicContact CD1-CE2 3.48Å; F184-F187 VanDerWaalsContact CD1-CE2 3.48Å; F184-F187 HydrophobicContact CD1-CZ 4.44Å; F184-F187 AromaticContact CE1-CE2 3.97Å; F184-F187 HydrophobicContact CE1-CE2 3.97Å; F184-F187 HydrophobicContact CG-CE2 4.48Å
188E38.5Very low38.9Very low155 Ų155126.3 Ų126.372%0.72467%0.669SS**  trans-100.2104.5156.2-74.6-166.9153.500108.7R113R113-E188 IonicContact NH2-OE1 2.76Å
189T37.6Very low38.9Very low221 Ų221128.6 Ų128.6100%1.35669%0.686SS**  trans-157.90131230000107.9

Retrieved 189 of 189 residues in 178.6 ms (Link to these results)

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