A0A087Y1H0_POEFO Loading...

18S rRNA (guanine-N(7))-methyltransferase

S-adenosyl-L-methionine-dependent methyltransferase that specifically methylates the N(7) position of a guanine in 18S rRNA. Requires the methyltransferase adapter protein TRM112 for full rRNA methyltransferase activity. Involved in the pre-rRNA processing steps leading to small-subunit rRNA production independently of its RNA-modifying catalytic activity. Important for biogenesis end export of the 40S ribosomal subunit independent on its methyltransferase activity. Locus-specific steroid receptor coactivator. Potentiates transactivation by glucocorticoid (NR3C1), mineralocorticoid (NR3C2), androgen (AR) and progesterone (PGR) receptors. Required for the maintenance of open chromatin at the TSC22D3/GILZ locus to facilitate NR3C1 loading on the response elements. Required for maintenance of dimethylation on histone H3 'Lys-79' (H3K79me2), although direct histone methyltransferase activity is not observed in vitro.

AlphaFold DB , UniProt , Accession A0A087Y1H0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 282 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
1M31.2Very low60.1Low246 Ų246111 Ų111100%1.21262%0.62SS**  0116.20-64.4-170.4-15500107.7S3M1-S3 PolarHBondContact O-N 3.42Å
2A31.9Very low61.5Low107 Ų107103.4 Ų103.488%0.88458%0.582SS**  trans-75.1108.7179.600000108.7S4A2-S4 PolarHBondContact O-N 3.4Å; A2-S4 VanDerWaalsContact O-N 3.11Å
3S34.2Very low62.7Low102 Ų10298.1 Ų98.171%0.71355%0.554SS**  trans-60.8112.5164.7173.20000107.4M1 C5M1-S3 PolarHBondContact O-N 3.42Å; S3-C5 PolarHBondContact O-N 3.09Å
4S43.5Very low63.9Low111 Ų11192.3 Ų92.378%0.77652%0.522SS*.  trans-69.277.4165.5177.80000107.5A2 R6A2-S4 PolarHBondContact O-N 3.4Å; A2-S4 VanDerWaalsContact O-N 3.11Å; S4-R6 PolarHBondContact O-N 3.04Å
5C52.1Low64.9Low113 Ų11390.7 Ų90.776%0.76451%0.512SS*.  trans-70.3110.3162.9-98.70000106.7S3S3-C5 PolarHBondContact O-N 3.09Å
6R66.8Low65.9Low199 Ų19990.4 Ų90.475%0.75151%0.512SS*.  trans-57.6142.1167-72.3180174.9-175.2-1.7108.4S4S4-R6 PolarHBondContact O-N 3.04Å
7R76.7Confident66.7Low92 Ų9287.7 Ų87.735%0.34749%0.494SS..  trans-54.8136.3174-75.5-171.7175.9-141.42.4109.7E9 H10 T11 Y164 P165R7-E9 WeakPolarHBondContact CB-OE2 3.5Å; R7-E9 PolarHBondContact O-N 2.83Å; R7-H10 PolarHBondContact O-N 2.94Å; R7-T11 PolarHBondContact O-OG1 3.45Å; R7-Y164 PolarHBondContact NH1-O 3.37Å; R7-P165 PolarHBondContact NH2-O 3.31Å
8P80Confident67.6Low41 Ų4184.9 Ų84.927%0.26647%0.474SS..G310 helixtrans-48.3-42.3175.7-31.437.8000112.7H10 T11 F17 W127P8-H10 PolarHBondContact O-N 3.07Å; P8-T11 WeakPolarHBondContact O-CB 3.05Å; P8-T11 PolarHBondContact O-N 3.49Å; P8-F17 HydrophobicContact CB-CD1 4.07Å; P8-F17 HydrophobicContact CB-CD2 4.23Å; P8-F17 HydrophobicContact CB-CE1 3.71Å; P8-F17 HydrophobicContact CB-CE2 3.88Å; P8-F17 HydrophobicContact CB-CG 4.33Å; P8-F17 HydrophobicContact CB-CZ 3.61Å; P8-F17 HydrophobicContact CG-CE1 4.1Å; P8-F17 HydrophobicContact CG-CE2 4.45Å; P8-F17 HydrophobicContact CG-CZ 3.85Å; P8-W127 HydrophobicContact CB-CH2 3.68Å; P8-W127 HydrophobicContact CB-CZ2 3.72Å
9E83.4Confident68.5Low22 Ų2284.5 Ų84.510%0.10347%0.471CS..G310 helixtrans-53.1-27.5178-70.288.2-18000114.4R7 Q126 W127 N130R7-E9 WeakPolarHBondContact CB-OE2 3.5Å; R7-E9 PolarHBondContact O-N 2.83Å; E9-Q126 HydrophobicContact CG-CG 4.24Å; E9-Q126 WeakPolarHBondContact OE1-CG 3.38Å; E9-Q126 PolarHBondContact OE1-NE2 2.78Å; E9-W127 HydrophobicContact CG-CD2 4.19Å; E9-W127 HydrophobicContact CG-CE3 4.16Å; E9-W127 HydrophobicContact CG-CZ3 4.37Å; E9-N130 WeakPolarHBondContact CB-ND2 3.47Å; E9-N130 PolarHBondContact O-ND2 3.48Å
10H81.9Confident69.2Low103 Ų10386.9 Ų86.948%0.47748%0.479SS..G310 helixtrans-96.4-4.9-177.4-62.8-173.8000112.7R7 P8 E166R7-H10 PolarHBondContact O-N 2.94Å; P8-H10 PolarHBondContact O-N 3.07Å; H10-E166 IonicContact CE1-OE1 3.35Å; H10-E166 PolarHBondContact CE1-OE1 2.93Å; H10-E166 IonicContact NE2-OE1 3.68Å; H10-E166 IonicContact NE2-OE2 3.8Å
11T79.9Confident69.7Low85 Ų8587.8 Ų87.852%0.52148%0.483SS..THydrogen-bonded Turntrans-97.8-51.5-171.4-55.40000110.7R7 P8 F17R7-T11 PolarHBondContact O-OG1 3.45Å; P8-T11 WeakPolarHBondContact O-CB 3.05Å; P8-T11 PolarHBondContact O-N 3.49Å; T11-F17 HydrophobicContact CG2-CD2 4.32Å; T11-F17 HydrophobicContact CG2-CE2 4.42Å
12A76.6Confident72.2Confident20 Ų2079.4 Ų79.417%0.16544%0.441CS..SBendtrans-159.1161.5179.200000110V16 F17 W127A12-V16 HydrophobicContact CB-CB 4.16Å; A12-V16 HydrophobicContact CB-CG1 4.1Å; A12-F17 HydrophobicContact CB-CB 4.21Å; A12-W127 WeakPolarHBondContact O-CZ3 3.48Å
13P77.3Confident74.6Confident34 Ų3474.3 Ų74.322%0.22140%0.399CS..  trans-55.8153.4169-23.436.1000111.4D15 V16 F17 D132P13-D15 VanDerWaalsContact C-N 3.3Å; P13-D15 WeakPolarHBondContact CB-OD1 3.39Å; P13-D15 PolarHBondContact O-N 3.48Å; P13-V16 HydrophobicContact CB-CG2 4.45Å; P13-V16 CarbonylContact O-C 3.6Å; P13-V16 PolarHBondContact O-N 3.08Å; P13-F17 WeakPolarHBondContact O-CB 3.41Å; P13-F17 PolarHBondContact O-N 2.98Å; P13-D132 HydrophobicContact CB-CB 4.18Å; P13-D132 HydrophobicContact CG-CB 3.78Å
14P78.8Confident76.9Confident17 Ų1774.2 Ų74.211%0.1139%0.385CS..Hα-helixtrans-61.8-35-171.922.7-31.6000113.6V16 Y18 I83 W127P14-V16 PolarHBondContact O-N 2.82Å; P14-Y18 PolarHBondContact O-N 2.63Å; P14-I83 HydrophobicContact CB-CG2 3.9Å; P14-I83 HydrophobicContact CG-CG2 3.78Å; P14-W127 HydrophobicContact CB-CD2 3.8Å; P14-W127 HydrophobicContact CB-CE3 3.73Å; P14-W127 HydrophobicContact CB-CG 4.31Å; P14-W127 HydrophobicContact CB-CH2 4.26Å; P14-W127 HydrophobicContact CB-CZ2 4.35Å; P14-W127 HydrophobicContact CB-CZ3 3.96Å; P14-W127 HydrophobicContact CG-CB 4.48Å; P14-W127 HydrophobicContact CG-CD2 4.16Å; P14-W127 HydrophobicContact CG-CE3 3.87Å; P14-W127 HydrophobicContact CG-CG 4.45Å; P14-W127 HydrophobicContact CG-CZ3 4.38Å
15D79.8Confident78.8Confident69 Ų6974.5 Ų74.537%0.36937%0.373SS..Hα-helixtrans-65.7-23.1175.155.6-47.4000113.4P13 I83P13-D15 VanDerWaalsContact C-N 3.3Å; P13-D15 WeakPolarHBondContact CB-OD1 3.39Å; P13-D15 PolarHBondContact O-N 3.48Å; D15-I83 HydrophobicContact CB-CD1 4.5Å; D15-I83 HydrophobicContact CB-CG1 4.28Å; D15-I83 HydrophobicContact CB-CG2 4.49Å
16V79.9Confident80.2Confident85 Ų8570.9 Ų70.952%0.51534%0.343SS..Hα-helixtrans-100.2-36179.2-178.60000111.6A12 P13 P14A12-V16 HydrophobicContact CB-CB 4.16Å; A12-V16 HydrophobicContact CB-CG1 4.1Å; P13-V16 HydrophobicContact CB-CG2 4.45Å; P13-V16 CarbonylContact O-C 3.6Å; P13-V16 PolarHBondContact O-N 3.08Å; P14-V16 PolarHBondContact O-N 2.82Å
17F80.9Confident80.8Confident45 Ų4562 Ų6220%0.19731%0.312CS..Hα-helixtrans-65.8-49.2-179.5-178.6-91.7000111.3P8 T11 A12 P13 N19 W127P8-F17 HydrophobicContact CB-CD1 4.07Å; P8-F17 HydrophobicContact CB-CD2 4.23Å; P8-F17 HydrophobicContact CB-CE1 3.71Å; P8-F17 HydrophobicContact CB-CE2 3.88Å; P8-F17 HydrophobicContact CB-CG 4.33Å; P8-F17 HydrophobicContact CB-CZ 3.61Å; P8-F17 HydrophobicContact CG-CE1 4.1Å; P8-F17 HydrophobicContact CG-CE2 4.45Å; P8-F17 HydrophobicContact CG-CZ 3.85Å; T11-F17 HydrophobicContact CG2-CD2 4.32Å; T11-F17 HydrophobicContact CG2-CE2 4.42Å; A12-F17 HydrophobicContact CB-CB 4.21Å; P13-F17 WeakPolarHBondContact O-CB 3.41Å; P13-F17 PolarHBondContact O-N 2.98Å; F17-N19 VanDerWaalsContact C-N 3.27Å; F17-N19 PolarHBondContact O-N 2.88Å; F17-W127 HydrophobicContact CB-CH2 4.23Å; F17-W127 HydrophobicContact CD1-CH2 4.4Å; F17-W127 HydrophobicContact CG-CH2 4.29Å
18Y82.6Confident81.2Confident37 Ų3765.1 Ų65.115%0.14533%0.33CS..SBendtrans-86.170.8176.3-68.2-75.6000110.4P14 Y26 S84 A86 M87 W127P14-Y18 PolarHBondContact O-N 2.63Å; Y18-Y26 AromaticContact CE1-CD2 3.83Å; Y18-Y26 HydrophobicContact CE1-CD2 3.83Å; Y18-Y26 HydrophobicContact CE1-CE2 4.2Å; Y18-Y26 HydrophobicContact CE1-CG 4.33Å; Y18-S84 PolarHBondContact O-OG 2.9Å; Y18-A86 WeakPolarHBondContact O-CB 3.36Å; Y18-M87 HydrophobicContact CD1-CE 4.14Å; Y18-M87 HydrophobicContact CD1-CG 4.35Å; Y18-M87 HydrophobicContact CD1-SD 3.8Å; Y18-M87 HydrophobicContact CE1-CE 4.27Å; Y18-M87 HydrophobicContact CE1-SD 4.47Å; Y18-M87 HydrophobicContact CG-CG 4.08Å; Y18-M87 HydrophobicContact CG-SD 4.15Å; Y18-W127 AromaticContact CE2-CZ2 3.84Å; Y18-W127 HydrophobicContact CE2-CZ2 3.84Å
19N84.4Confident81.7Confident77 Ų7766.8 Ų66.841%0.41234%0.337SS..  trans-76.4177.8168.365.527.1000111.2F17 D21 E22 A23F17-N19 VanDerWaalsContact C-N 3.27Å; F17-N19 PolarHBondContact O-N 2.88Å; N19-D21 VanDerWaalsContact C-N 3.27Å; N19-D21 PolarHBondContact O-N 3.44Å; N19-D21 PolarHBondContact OD1-N 2.83Å; N19-E22 PolarHBondContact O-N 3.48Å; N19-E22 PolarHBondContact OD1-N 2.92Å; N19-A23 VanDerWaalsContact O-CB 3.25Å; N19-A23 WeakPolarHBondContact O-CB 3.44Å; N19-A23 PolarHBondContact O-N 2.78Å
20E81.4Confident82Confident133 Ų13370.2 Ų70.262%0.62136%0.363SS*.Hα-helixtrans-52.6-41.4-177.6-65.5177.3-158.700113.7K24 A86E20-K24 WeakPolarHBondContact O-CG 3.37Å; E20-K24 PolarHBondContact O-N 3.44Å; E20-A86 HydrophobicContact CG-CB 4.3Å
21D81.3Confident82.3Confident106 Ų10673.5 Ų73.557%0.56737%0.371SS*.Hα-helixtrans-71.4-46.6-178.6-72.3-27.8000111.8N19 K25N19-D21 VanDerWaalsContact C-N 3.27Å; N19-D21 PolarHBondContact O-N 3.44Å; N19-D21 PolarHBondContact OD1-N 2.83Å; D21-K25 VanDerWaalsContact O-CG 3.29Å; D21-K25 WeakPolarHBondContact O-CG 3.26Å; D21-K25 PolarHBondContact O-N 3.3Å
22E83.3Confident82.7Confident70 Ų7072 Ų7233%0.32736%0.359SS..Hα-helixtrans-69.5-36.8-179.8-70.5-57.1130.200111.7N19 K25 Y26N19-E22 PolarHBondContact O-N 3.48Å; N19-E22 PolarHBondContact OD1-N 2.92Å; E22-K25 PolarHBondContact O-N 2.75Å; E22-K25 IonicContact OE1-NZ 3.67Å; E22-K25 PolarHBondContact OE1-NZ 2.72Å; E22-Y26 VanDerWaalsContact O-CB 3.22Å; E22-Y26 WeakPolarHBondContact O-CB 3.17Å; E22-Y26 PolarHBondContact O-N 3.36Å
23A82.5Confident83.3Confident0 Ų073.8 Ų73.80%037%0.365CS..Hα-helixtrans-61.9-44175.200000112.1N19 Y26 S27 A86 M87 V90N19-A23 VanDerWaalsContact O-CB 3.25Å; N19-A23 WeakPolarHBondContact O-CB 3.44Å; N19-A23 PolarHBondContact O-N 2.78Å; A23-Y26 PolarHBondContact O-N 3.12Å; A23-S27 WeakPolarHBondContact O-CB 3.17Å; A23-S27 PolarHBondContact O-N 3.18Å; A23-S27 VanDerWaalsContact O-N 3.09Å; A23-S27 PolarHBondContact O-OG 3.33Å; A23-A86 HydrophobicContact CB-CB 4.16Å; A23-M87 HydrophobicContact CB-CG 4.24Å; A23-M87 HydrophobicContact CB-SD 3.61Å; A23-V90 HydrophobicContact CB-CG2 4.04Å
24K81.9Confident84Confident100 Ų10077.4 Ų77.444%0.43538%0.379SS..Hα-helixtrans-64.7-46.8175.7-75.5173.9-177.6169.80111.8E20 Y26 S27 Q28 V90E20-K24 WeakPolarHBondContact O-CG 3.37Å; E20-K24 PolarHBondContact O-N 3.44Å; K24-Y26 VanDerWaalsContact C-N 3.32Å; K24-Y26 PolarHBondContact O-N 2.86Å; K24-S27 PolarHBondContact O-N 3.41Å; K24-Q28 WeakPolarHBondContact O-CB 3.5Å; K24-Q28 WeakPolarHBondContact O-CG 3.36Å; K24-Q28 PolarHBondContact O-N 2.83Å; K24-V90 HydrophobicContact CG-CG2 4.28Å
25K83.1Confident84.7Confident117 Ų11778.5 Ų78.551%0.50938%0.384SS..Hα-helixtrans-60.3-42.5176.8-72.2173.8-158.2163.30112D21 E22 S27 Q28 N29D21-K25 VanDerWaalsContact O-CG 3.29Å; D21-K25 WeakPolarHBondContact O-CG 3.26Å; D21-K25 PolarHBondContact O-N 3.3Å; E22-K25 PolarHBondContact O-N 2.75Å; E22-K25 IonicContact OE1-NZ 3.67Å; E22-K25 PolarHBondContact OE1-NZ 2.72Å; K25-S27 VanDerWaalsContact C-N 3.31Å; K25-S27 PolarHBondContact O-N 3.31Å; K25-Q28 PolarHBondContact O-N 3.07Å; K25-N29 WeakPolarHBondContact O-CB 3.46Å; K25-N29 PolarHBondContact O-N 2.98Å
26Y81.9Confident85.3Confident37 Ų3775.9 Ų75.915%0.14537%0.369CS..Hα-helixtrans-59.8-45.3179-172.1-83.5000110.8Y18 E22 A23 K24 M32 Q36 L66 M87Y18-Y26 AromaticContact CE1-CD2 3.83Å; Y18-Y26 HydrophobicContact CE1-CD2 3.83Å; Y18-Y26 HydrophobicContact CE1-CE2 4.2Å; Y18-Y26 HydrophobicContact CE1-CG 4.33Å; E22-Y26 VanDerWaalsContact O-CB 3.22Å; E22-Y26 WeakPolarHBondContact O-CB 3.17Å; E22-Y26 PolarHBondContact O-N 3.36Å; A23-Y26 PolarHBondContact O-N 3.12Å; K24-Y26 VanDerWaalsContact C-N 3.32Å; K24-Y26 PolarHBondContact O-N 2.86Å; Y26-M32 HydrophobicContact CD2-CE 4.04Å; Y26-M32 HydrophobicContact CE1-CE 4.45Å; Y26-M32 HydrophobicContact CE2-CE 3.3Å; Y26-Q36 HydrophobicContact CE1-CG 4.42Å; Y26-Q36 PolarHBondContact OH-NE2 2.94Å; Y26-Q36 PolarHBondContact OH-OE1 2.85Å; Y26-L66 HydrophobicContact CE1-CD1 4.19Å; Y26-M87 HydrophobicContact CD1-CE 4.1Å; Y26-M87 HydrophobicContact CE1-CE 4.35Å
27S80.1Confident85.9Confident13 Ų1374.1 Ų74.19%0.09136%0.358CS..Hα-helixtrans-79.8-20.4-175.1-53.10000114A23 K24 K25 I33 S64 V90A23-S27 WeakPolarHBondContact O-CB 3.17Å; A23-S27 PolarHBondContact O-N 3.18Å; A23-S27 VanDerWaalsContact O-N 3.09Å; A23-S27 PolarHBondContact O-OG 3.33Å; K24-S27 PolarHBondContact O-N 3.41Å; K25-S27 VanDerWaalsContact C-N 3.31Å; K25-S27 PolarHBondContact O-N 3.31Å; S27-I33 VanDerWaalsContact O-CD1 3.24Å; S27-I33 WeakPolarHBondContact O-CD1 3.38Å; S27-S64 WeakPolarHBondContact OG-CB 3.46Å; S27-S64 PolarHBondContact OG-OG 2.81Å; S27-V90 WeakPolarHBondContact OG-CG1 3.08Å
28Q84.5Confident86.6Confident157 Ų15776.7 Ų76.773%0.73437%0.371SS*.Hα-helixtrans-91.6-10176.2-69.6177-3.600113.4K24 K25 S30K24-Q28 WeakPolarHBondContact O-CB 3.5Å; K24-Q28 WeakPolarHBondContact O-CG 3.36Å; K24-Q28 PolarHBondContact O-N 2.83Å; K25-Q28 PolarHBondContact O-N 3.07Å; Q28-S30 PolarHBondContact O-N 3.25Å
29N90Very high87.3Confident76 Ų7675.2 Ų75.241%0.40637%0.366SS..  trans-80.8104.6-178.6-173.6-28.8000110.5K25 R31 M32 I33K25-N29 WeakPolarHBondContact O-CB 3.46Å; K25-N29 PolarHBondContact O-N 2.98Å; N29-R31 PolarHBondContact O-N 2.79Å; N29-R31 VanDerWaalsContact O-N 3.15Å; N29-R31 WeakPolarHBondContact OD1-CB 3.4Å; N29-R31 PolarHBondContact OD1-N 3.34Å; N29-R31 VanDerWaalsContact OD1-N 3.15Å; N29-M32 HydrophobicContact CB-CB 4Å; N29-M32 HydrophobicContact CB-CG 3.9Å; N29-M32 WeakPolarHBondContact O-CA 3.48Å; N29-M32 WeakPolarHBondContact O-CB 3.47Å; N29-M32 PolarHBondContact O-N 3.04Å; N29-M32 PolarHBondContact OD1-N 3.03Å; N29-I33 PolarHBondContact O-N 3.04Å
30S89.3Confident87.9Confident93 Ų9371.5 Ų71.565%0.6535%0.346SS*.Hα-helixtrans-53.9-36.2-177.956.90000113.9Q28 I33 E34Q28-S30 PolarHBondContact O-N 3.25Å; S30-I33 PolarHBondContact O-N 3.34Å; S30-E34 WeakPolarHBondContact O-CB 3.48Å; S30-E34 PolarHBondContact O-N 3.18Å
31R89.5Confident88.7Confident172 Ų17270 Ų7065%0.64934%0.339SS*.Hα-helixtrans-68.2-36.8176.4-174-175.8178.890.76.5111.8N29 I35N29-R31 PolarHBondContact O-N 2.79Å; N29-R31 VanDerWaalsContact O-N 3.15Å; N29-R31 WeakPolarHBondContact OD1-CB 3.4Å; N29-R31 PolarHBondContact OD1-N 3.34Å; N29-R31 VanDerWaalsContact OD1-N 3.15Å; R31-I35 HydrophobicContact CG-CD1 4.02Å; R31-I35 WeakPolarHBondContact O-CB 3.25Å; R31-I35 WeakPolarHBondContact O-CD1 3.43Å; R31-I35 VanDerWaalsContact O-CG1 3.23Å; R31-I35 WeakPolarHBondContact O-CG1 3.26Å; R31-I35 PolarHBondContact O-N 2.82Å; R31-I35 VanDerWaalsContact O-N 3.13Å
32M87.1Confident89.4Confident55 Ų5567.7 Ų67.727%0.27132%0.322SS..Hα-helixtrans-69.1-44176.7-71.3-60.1-5700110.8Y26 N29 E34 I35 Q36Y26-M32 HydrophobicContact CD2-CE 4.04Å; Y26-M32 HydrophobicContact CE1-CE 4.45Å; Y26-M32 HydrophobicContact CE2-CE 3.3Å; N29-M32 HydrophobicContact CB-CB 4Å; N29-M32 HydrophobicContact CB-CG 3.9Å; N29-M32 WeakPolarHBondContact O-CA 3.48Å; N29-M32 WeakPolarHBondContact O-CB 3.47Å; N29-M32 PolarHBondContact O-N 3.04Å; N29-M32 PolarHBondContact OD1-N 3.03Å; M32-E34 PolarHBondContact O-N 3.02Å; M32-I35 PolarHBondContact O-N 2.96Å; M32-Q36 WeakPolarHBondContact O-CB 3.39Å; M32-Q36 VanDerWaalsContact O-CG 3.29Å; M32-Q36 WeakPolarHBondContact O-CG 3.42Å; M32-Q36 PolarHBondContact O-N 2.82Å
33I90.1Very high90.1Very high57 Ų5764.3 Ų64.329%0.29231%0.307SS..Hα-helixtrans-54.2-54.5173.8-65.8161.5000109.9S27 N29 S30 I35 Q36 T37 L66S27-I33 VanDerWaalsContact O-CD1 3.24Å; S27-I33 WeakPolarHBondContact O-CD1 3.38Å; N29-I33 PolarHBondContact O-N 3.04Å; S30-I33 PolarHBondContact O-N 3.34Å; I33-I35 VanDerWaalsContact C-N 3.32Å; I33-I35 PolarHBondContact O-N 3.5Å; I33-Q36 PolarHBondContact O-N 2.9Å; I33-Q36 VanDerWaalsContact O-N 3.11Å; I33-T37 PolarHBondContact O-N 2.9Å; I33-T37 PolarHBondContact O-OG1 3.42Å; I33-T37 VanDerWaalsContact O-OG1 3.05Å; I33-L66 HydrophobicContact CB-CD2 4.5Å; I33-L66 HydrophobicContact CG1-CD1 4.32Å; I33-L66 HydrophobicContact CG1-CD2 4Å; I33-L66 HydrophobicContact CG2-CD2 4.16Å
34E92.4Very high90.8Very high109 Ų10965 Ų6551%0.50931%0.311SS..Hα-helixtrans-55.6-45-179.6-174.9-173.1176.100112.5S30 M32 T37 Q38S30-E34 WeakPolarHBondContact O-CB 3.48Å; S30-E34 PolarHBondContact O-N 3.18Å; M32-E34 PolarHBondContact O-N 3.02Å; E34-T37 PolarHBondContact O-N 3.49Å; E34-Q38 VanDerWaalsContact O-CG 3.31Å; E34-Q38 WeakPolarHBondContact O-CG 3.46Å; E34-Q38 PolarHBondContact O-N 3.07Å; E34-Q38 PolarHBondContact OE1-NE2 3.36Å
35I92.2Very high91.5Very high41 Ų4166.1 Ų66.121%0.2132%0.318CS..Hα-helixtrans-66.2-41.8179.2-69.9168000111.2R31 M32 I33 M39R31-I35 HydrophobicContact CG-CD1 4.02Å; R31-I35 WeakPolarHBondContact O-CB 3.25Å; R31-I35 WeakPolarHBondContact O-CD1 3.43Å; R31-I35 VanDerWaalsContact O-CG1 3.23Å; R31-I35 WeakPolarHBondContact O-CG1 3.26Å; R31-I35 PolarHBondContact O-N 2.82Å; R31-I35 VanDerWaalsContact O-N 3.13Å; M32-I35 PolarHBondContact O-N 2.96Å; I33-I35 VanDerWaalsContact C-N 3.32Å; I33-I35 PolarHBondContact O-N 3.5Å; I35-M39 HydrophobicContact CG2-CE 3.7Å; I35-M39 HydrophobicContact CG2-SD 4.14Å; I35-M39 VanDerWaalsContact O-CG 3.29Å; I35-M39 WeakPolarHBondContact O-CG 3.06Å; I35-M39 PolarHBondContact O-N 2.81Å
36Q92.2Very high92.2Very high13 Ų1362 Ų626%0.06130%0.301CS..Hα-helixtrans-66.4-42.4178.6-70.4-66.310200111.2Y26 M32 I33 M39 S40 L66Y26-Q36 HydrophobicContact CE1-CG 4.42Å; Y26-Q36 PolarHBondContact OH-NE2 2.94Å; Y26-Q36 PolarHBondContact OH-OE1 2.85Å; M32-Q36 WeakPolarHBondContact O-CB 3.39Å; M32-Q36 VanDerWaalsContact O-CG 3.29Å; M32-Q36 WeakPolarHBondContact O-CG 3.42Å; M32-Q36 PolarHBondContact O-N 2.82Å; I33-Q36 PolarHBondContact O-N 2.9Å; I33-Q36 VanDerWaalsContact O-N 3.11Å; Q36-M39 PolarHBondContact O-N 3.35Å; Q36-S40 WeakPolarHBondContact O-CB 3.4Å; Q36-S40 PolarHBondContact O-N 3.32Å; Q36-S40 PolarHBondContact O-OG 3.35Å; Q36-L66 HydrophobicContact CB-CB 4.3Å; Q36-L66 HydrophobicContact CB-CD1 4.16Å; Q36-L66 HydrophobicContact CG-CD1 4.13Å
37T93.6Very high92.8Very high48 Ų4860.3 Ų60.329%0.29429%0.294SS..Hα-helixtrans-60.2-50.1175.4-56.30000110.9I33 E34 M39 S40 E41 Y70I33-T37 PolarHBondContact O-N 2.9Å; I33-T37 PolarHBondContact O-OG1 3.42Å; I33-T37 VanDerWaalsContact O-OG1 3.05Å; E34-T37 PolarHBondContact O-N 3.49Å; T37-M39 VanDerWaalsContact C-N 3.3Å; T37-M39 PolarHBondContact O-N 3.17Å; T37-S40 WeakPolarHBondContact O-CB 3.24Å; T37-S40 PolarHBondContact O-N 3.05Å; T37-E41 PolarHBondContact O-N 2.87Å; T37-Y70 HydrophobicContact CG2-CD2 4.35Å
38Q95.6Very high93.5Very high99 Ų9963 Ų6346%0.46331%0.313SS..Hα-helixtrans-59.7-37.7178-73.9172.6500113.1E34 R42E34-Q38 VanDerWaalsContact O-CG 3.31Å; E34-Q38 WeakPolarHBondContact O-CG 3.46Å; E34-Q38 PolarHBondContact O-N 3.07Å; E34-Q38 PolarHBondContact OE1-NE2 3.36Å; Q38-R42 WeakPolarHBondContact O-CB 3.11Å; Q38-R42 PolarHBondContact O-N 2.96Å; Q38-R42 VanDerWaalsContact O-N 3.11Å
39M96.7Very high94Very high6 Ų657.1 Ų57.13%0.0329%0.286CS..Hα-helixtrans-72.6-31.4176.8-69.8-175.1-50.100112.2I35 Q36 T37 A43 I122 Q162 Y164 K199I35-M39 HydrophobicContact CG2-CE 3.7Å; I35-M39 HydrophobicContact CG2-SD 4.14Å; I35-M39 VanDerWaalsContact O-CG 3.29Å; I35-M39 WeakPolarHBondContact O-CG 3.06Å; I35-M39 PolarHBondContact O-N 2.81Å; Q36-M39 PolarHBondContact O-N 3.35Å; T37-M39 VanDerWaalsContact C-N 3.3Å; T37-M39 PolarHBondContact O-N 3.17Å; M39-A43 WeakPolarHBondContact O-CB 3.45Å; M39-A43 PolarHBondContact O-N 3.05Å; M39-I122 HydrophobicContact CB-CG2 3.86Å; M39-I122 HydrophobicContact CE-CG2 3.72Å; M39-Q162 HydrophobicContact CB-CG 4.33Å; M39-Q162 HydrophobicContact CG-CG 4.29Å; M39-Q162 HydrophobicContact SD-CG 3.82Å; M39-Q162 PolarHBondContact SD-OE1 2.9Å; M39-Y164 PolarHBondContact SD-OH 3.37Å; M39-Y164 VanDerWaalsContact SD-OH 3.35Å; M39-K199 HydrophobicContact SD-CD 3.88Å
40S97.5Very high94Very high0 Ų057 Ų570%029%0.29CS..Hα-helixtrans-71.2-47176.6-54.70000110.9Q36 T37 R42 A43 V44 S67Q36-S40 WeakPolarHBondContact O-CB 3.4Å; Q36-S40 PolarHBondContact O-N 3.32Å; Q36-S40 PolarHBondContact O-OG 3.35Å; T37-S40 WeakPolarHBondContact O-CB 3.24Å; T37-S40 PolarHBondContact O-N 3.05Å; S40-R42 VanDerWaalsContact C-N 3.33Å; S40-R42 PolarHBondContact O-N 3.24Å; S40-A43 PolarHBondContact O-N 2.95Å; S40-A43 VanDerWaalsContact O-N 3.08Å; S40-V44 WeakPolarHBondContact O-CG2 3.36Å; S40-V44 PolarHBondContact O-N 2.77Å; S40-S67 WeakPolarHBondContact OG-CA 3.41Å; S40-S67 WeakPolarHBondContact OG-CB 3.5Å
41E97.3Very high94Very high102 Ų10261.9 Ų61.948%0.47730%0.302SS..Hα-helixtrans-51-53.1171.1178.5-177.2-169.900111T37 A43 V44 E45 Y70T37-E41 PolarHBondContact O-N 2.87Å; E41-A43 VanDerWaalsContact C-N 3.3Å; E41-A43 PolarHBondContact O-N 3.22Å; E41-V44 PolarHBondContact O-N 3.48Å; E41-E45 PolarHBondContact O-N 3.23Å; E41-Y70 VanDerWaalsContact CA-CZ 3.5Å; E41-Y70 HydrophobicContact CB-CE1 4.15Å; E41-Y70 HydrophobicContact CB-CE2 4.01Å; E41-Y70 HydrophobicContact CG-CE2 4.4Å
42R97.8Very high93.9Very high56 Ų5658.2 Ų58.221%0.21132%0.318CS..Hα-helixtrans-61.9-37.4178.4-176.554.1172.1158.61.7112.9Q38 S40 E45 L46 D190 F201Q38-R42 WeakPolarHBondContact O-CB 3.11Å; Q38-R42 PolarHBondContact O-N 2.96Å; Q38-R42 VanDerWaalsContact O-N 3.11Å; S40-R42 VanDerWaalsContact C-N 3.33Å; S40-R42 PolarHBondContact O-N 3.24Å; R42-E45 WeakPolarHBondContact CD-OE2 3.47Å; R42-E45 IonicContact CZ-OE2 3.17Å; R42-E45 IonicContact NE-OE2 3.76Å; R42-E45 IonicContact NH1-OE1 3.5Å; R42-E45 PolarHBondContact NH1-OE1 2.83Å; R42-E45 IonicContact NH1-OE2 2.77Å; R42-E45 PolarHBondContact NH1-OE2 3.41Å; R42-L46 HydrophobicContact CG-CD1 4.27Å; R42-L46 VanDerWaalsContact O-CG 3.26Å; R42-L46 WeakPolarHBondContact O-CG 3.34Å; R42-L46 PolarHBondContact O-N 3.26Å; R42-L46 VanDerWaalsContact O-N 3.13Å; R42-D190 WeakPolarHBondContact CG-OD2 3.46Å; R42-D190 IonicContact CZ-OD1 2.93Å; R42-D190 IonicContact CZ-OD2 3.2Å; R42-D190 IonicContact NE-OD1 2.7Å; R42-D190 IonicContact NE-OD2 3.74Å; R42-D190 PolarHBondContact NE-OD2 2.83Å; R42-D190 IonicContact NH2-OD1 2.77Å; R42-D190 PolarHBondContact NH2-OD1 2.77Å; R42-D190 IonicContact NH2-OD2 3.74Å; R42-F201 HydrophobicContact CB-CE1 4.21Å; R42-F201 HydrophobicContact CB-CZ 3.87Å; R42-F201 HydrophobicContact CG-CD2 4.47Å; R42-F201 HydrophobicContact CG-CE1 3.99Å; R42-F201 HydrophobicContact CG-CE2 3.79Å; R42-F201 HydrophobicContact CG-CZ 3.51Å
43A98Very high94.2Very high0 Ų061.3 Ų61.30%033%0.332CS..Hα-helixtrans-67.7-40.1178.100000112.2M39 S40 E41 L46 L47 I120 I122 V160 F201M39-A43 WeakPolarHBondContact O-CB 3.45Å; M39-A43 PolarHBondContact O-N 3.05Å; S40-A43 PolarHBondContact O-N 2.95Å; S40-A43 VanDerWaalsContact O-N 3.08Å; E41-A43 VanDerWaalsContact C-N 3.3Å; E41-A43 PolarHBondContact O-N 3.22Å; A43-L46 PolarHBondContact O-N 3.06Å; A43-L47 PolarHBondContact O-N 3.28Å; A43-I120 HydrophobicContact CB-CG2 4.18Å; A43-I122 HydrophobicContact CB-CD1 3.66Å; A43-V160 HydrophobicContact CB-CB 4.41Å; A43-V160 HydrophobicContact CB-CG1 3.88Å; A43-F201 HydrophobicContact CB-CE1 4.43Å
44V96.7Very high94.5Very high15 Ų1560.8 Ų60.89%0.09134%0.336CS..Hα-helixtrans-67-40.8176172.70000111.1S40 E41 L46 L47 S48 Y70 L71S40-V44 WeakPolarHBondContact O-CG2 3.36Å; S40-V44 PolarHBondContact O-N 2.77Å; E41-V44 PolarHBondContact O-N 3.48Å; V44-L46 VanDerWaalsContact C-N 3.27Å; V44-L46 PolarHBondContact O-N 3.5Å; V44-L47 WeakPolarHBondContact O-CB 3.38Å; V44-L47 PolarHBondContact O-N 3.17Å; V44-L47 VanDerWaalsContact O-N 3.1Å; V44-S48 PolarHBondContact O-N 3.45Å; V44-Y70 HydrophobicContact CB-CE1 3.86Å; V44-Y70 HydrophobicContact CG1-CE1 4.28Å; V44-Y70 HydrophobicContact CG2-CD1 3.92Å; V44-Y70 HydrophobicContact CG2-CE1 3.71Å; V44-L71 HydrophobicContact CG2-CD2 3.48Å; V44-L71 VanDerWaalsContact CG2-CD2 3.48Å
45E96.6Very high94.8Very high123 Ų12355.8 Ų55.858%0.57531%0.313SS*.Hα-helixtrans-55.4-45.3172.1-170.2-160.7154.700111.1E41 R42 L47 S48E41-E45 PolarHBondContact O-N 3.23Å; R42-E45 WeakPolarHBondContact CD-OE2 3.47Å; R42-E45 IonicContact CZ-OE2 3.17Å; R42-E45 IonicContact NE-OE2 3.76Å; R42-E45 IonicContact NH1-OE1 3.5Å; R42-E45 PolarHBondContact NH1-OE1 2.83Å; R42-E45 IonicContact NH1-OE2 2.77Å; R42-E45 PolarHBondContact NH1-OE2 3.41Å; E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 3.34Å; E45-S48 PolarHBondContact O-N 2.97Å; E45-S48 VanDerWaalsContact O-N 3.13Å
46L97.1Very high95.1Very high29 Ų2957.3 Ų57.315%0.15232%0.318CS..Hα-helixtrans-70.3-26.1179.2-69.2170.3000113.4R42 A43 V44 S48 R158 V160 V188 F201R42-L46 HydrophobicContact CG-CD1 4.27Å; R42-L46 VanDerWaalsContact O-CG 3.26Å; R42-L46 WeakPolarHBondContact O-CG 3.34Å; R42-L46 PolarHBondContact O-N 3.26Å; R42-L46 VanDerWaalsContact O-N 3.13Å; A43-L46 PolarHBondContact O-N 3.06Å; V44-L46 VanDerWaalsContact C-N 3.27Å; V44-L46 PolarHBondContact O-N 3.5Å; L46-S48 PolarHBondContact O-N 2.95Å; L46-R158 PolarHBondContact O-NH1 3.39Å; L46-V160 HydrophobicContact CB-CG1 4.15Å; L46-V160 HydrophobicContact CB-CG2 3.9Å; L46-V160 HydrophobicContact CD1-CG1 4.23Å; L46-V188 HydrophobicContact CD2-CG2 4.42Å; L46-F201 HydrophobicContact CD1-CB 3.78Å; L46-F201 HydrophobicContact CD1-CD1 4.01Å; L46-F201 HydrophobicContact CD1-CD2 4.37Å; L46-F201 HydrophobicContact CD1-CG 3.82Å
47L95.6Very high95.4Very high3 Ų356.7 Ų56.72%0.01632%0.315CS..Hα-helixtrans-63.7-30.2170.8-78.3179.8000111.8A43 V44 E45 L49 L57 I120 R158 V160A43-L47 PolarHBondContact O-N 3.28Å; V44-L47 WeakPolarHBondContact O-CB 3.38Å; V44-L47 PolarHBondContact O-N 3.17Å; V44-L47 VanDerWaalsContact O-N 3.1Å; E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 3.34Å; L47-L49 VanDerWaalsContact C-N 3.31Å; L47-L49 HydrophobicContact CB-CD1 4.43Å; L47-L49 HydrophobicContact CB-CD2 4.18Å; L47-L49 HydrophobicContact CB-CG 3.91Å; L47-L49 HydrophobicContact CD1-CD1 4.18Å; L47-L49 HydrophobicContact CD1-CD2 4.49Å; L47-L49 HydrophobicContact CD1-CG 4.43Å; L47-L49 PolarHBondContact O-N 2.73Å; L47-L57 HydrophobicContact CD1-CD2 4.44Å; L47-I120 HydrophobicContact CD1-CG2 3.43Å; L47-I120 VanDerWaalsContact CD1-CG2 3.43Å; L47-I120 HydrophobicContact CG-CG2 4.08Å; L47-R158 HydrophobicContact CD2-CB 3.78Å; L47-R158 VanDerWaalsContact CD2-O 3.24Å; L47-R158 WeakPolarHBondContact CD2-O 3.32Å; L47-R158 VanDerWaalsContact O-CD 3.24Å; L47-R158 WeakPolarHBondContact O-CD 3.44Å; L47-V160 HydrophobicContact CD2-CB 4.36Å; L47-V160 HydrophobicContact CD2-CG2 3.8Å; L47-V160 HydrophobicContact CG-CB 4.47Å; L47-V160 HydrophobicContact CG-CG2 4.01Å
48S94.5Very high95.7Very high69 Ų6954.4 Ų54.448%0.48330%0.301SS..THydrogen-bonded Turntrans52.551.3177.61770000111.3V44 E45 L46 R158V44-S48 PolarHBondContact O-N 3.45Å; E45-S48 PolarHBondContact O-N 2.97Å; E45-S48 VanDerWaalsContact O-N 3.13Å; L46-S48 PolarHBondContact O-N 2.95Å; S48-R158 VanDerWaalsContact CB-CZ 3.4Å; S48-R158 PolarHBondContact OG-NH2 3.28Å
49L93.5Very high95.8Very high33 Ų3349.7 Ų49.717%0.17328%0.279CS..PPolyproline II helixtrans-66.2156.4178.6-61.2172.7000110.9L47 E51 C55 L57 H76L47-L49 VanDerWaalsContact C-N 3.31Å; L47-L49 HydrophobicContact CB-CD1 4.43Å; L47-L49 HydrophobicContact CB-CD2 4.18Å; L47-L49 HydrophobicContact CB-CG 3.91Å; L47-L49 HydrophobicContact CD1-CD1 4.18Å; L47-L49 HydrophobicContact CD1-CD2 4.49Å; L47-L49 HydrophobicContact CD1-CG 4.43Å; L47-L49 PolarHBondContact O-N 2.73Å; L49-E51 PolarHBondContact O-N 3.27Å; L49-C55 HydrophobicContact CD1-CB 4.33Å; L49-C55 HydrophobicContact CD2-CB 4.43Å; L49-L57 HydrophobicContact CD1-CD1 3.9Å; L49-L57 HydrophobicContact CD1-CD2 4.01Å; L49-L57 HydrophobicContact CD2-CD2 4.18Å; L49-H76 VanDerWaalsContact CD1-NE2 3.26Å; L49-H76 WeakPolarHBondContact CD1-NE2 3.35Å
50P90.8Very high95.9Very high74 Ų7449.4 Ų49.448%0.48128%0.278SS..PPolyproline II helixtrans-61.6131.5176.5-20.532.6000112.1Q53P50-Q53 HydrophobicContact CB-CB 4.44Å
51E88.7Confident96Very high196 Ų19649.9 Ų49.992%0.91628%0.283SS*.THydrogen-bonded Turntrans-65.4140.5176.5-66.4178.7-169.700111.6L49 Q53L49-E51 PolarHBondContact O-N 3.27Å; E51-Q53 VanDerWaalsContact C-N 3.26Å; E51-Q53 PolarHBondContact O-N 2.88Å
52G88.8Confident96Very high94 Ų9445.2 Ų45.297%0.96926%0.261SS*.THydrogen-bonded Turntrans72.412.9174.800000115.1
53Q93Very high95.9Very high120 Ų12042.9 Ų42.956%0.56126%0.255SS*.  trans-128.5129.3177.9-177.2178.4-15.100111.5P50 E51 C55P50-Q53 HydrophobicContact CB-CB 4.44Å; E51-Q53 VanDerWaalsContact C-N 3.26Å; E51-Q53 PolarHBondContact O-N 2.88Å; Q53-C55 PolarHBondContact O-N 2.96Å
54A96.9Very high95.8Very high46 Ų4643 Ų4338%0.3826%0.255SS..  trans-66.9131169.700000110.6G75 Y77A54-G75 VanDerWaalsContact CB-O 3.26Å; A54-G75 WeakPolarHBondContact CB-O 3.21Å; A54-Y77 HydrophobicContact CB-CD2 4.16Å; A54-Y77 HydrophobicContact CB-CE2 3.78Å
55C98.3Very high95.8Very high5 Ų542.2 Ų42.23%0.03425%0.251CS..  trans-109.2156.5176.3-68.30000110.3L49 Q53 L57 H76 Y77 D117L49-C55 HydrophobicContact CD1-CB 4.33Å; L49-C55 HydrophobicContact CD2-CB 4.43Å; Q53-C55 PolarHBondContact O-N 2.96Å; C55-L57 HydrophobicContact CB-CD2 4.02Å; C55-L57 HydrophobicContact CB-CG 4.31Å; C55-H76 PolarHBondContact N-ND1 3.33Å; C55-Y77 PolarHBondContact O-N 2.91Å; C55-D117 HydrophobicContact CB-CB 3.97Å
56F98.6Very high95.8Very high72 Ų7236.8 Ų36.832%0.31623%0.226SC..EExtended strand (participates in β ladder)trans-101.9113.8171.5-169.4-138000111Y77 V79 T115 F116 D117F56-Y77 CarbonylContact C-O 3.58Å; F56-Y77 WeakPolarHBondContact CA-O 3.39Å; F56-V79 HydrophobicContact CE2-CG2 3.78Å; F56-V79 HydrophobicContact CZ-CG2 3.49Å; F56-V79 VanDerWaalsContact CZ-CG2 3.49Å; F56-T115 HydrophobicContact CD1-CG2 4.13Å; F56-T115 HydrophobicContact CE1-CG2 3.78Å; F56-F116 AromaticContact CD1-CD1 3.8Å; F56-F116 HydrophobicContact CD1-CD1 3.8Å; F56-F116 AromaticContact CD1-CE1 3.99Å; F56-F116 HydrophobicContact CD1-CE1 3.99Å; F56-F116 AromaticContact CE1-CD1 3.93Å; F56-F116 HydrophobicContact CE1-CD1 3.93Å; F56-F116 AromaticContact CE1-CE1 3.62Å; F56-F116 HydrophobicContact CE1-CE1 3.62Å; F56-F116 HydrophobicContact CE1-CZ 4.46Å; F56-F116 HydrophobicContact CE2-CE1 4.45Å; F56-F116 HydrophobicContact CG-CD1 4.24Å; F56-F116 HydrophobicContact CZ-CD1 4.48Å; F56-F116 AromaticContact CZ-CE1 3.9Å; F56-F116 HydrophobicContact CZ-CE1 3.9Å; F56-F116 CarbonylContact O-C 3.6Å; F56-F116 WeakPolarHBondContact O-CA 3.35Å; F56-D117 PolarHBondContact N-OD2 3.43Å; F56-D117 PolarHBondContact O-N 2.91Å
57L98.8Very high95.8Very high0 Ų035.6 Ų35.60%022%0.22CC..EExtended strand (participates in β ladder)trans-114.6150.4-167.8-57.5179.5000112.4L47 L49 C55 L71 H76 Y77 W78 V79 G118L47-L57 HydrophobicContact CD1-CD2 4.44Å; L49-L57 HydrophobicContact CD1-CD1 3.9Å; L49-L57 HydrophobicContact CD1-CD2 4.01Å; L49-L57 HydrophobicContact CD2-CD2 4.18Å; C55-L57 HydrophobicContact CB-CD2 4.02Å; C55-L57 HydrophobicContact CB-CG 4.31Å; L57-L71 HydrophobicContact CB-CD1 4.04Å; L57-L71 HydrophobicContact CD1-CD1 4.01Å; L57-L71 HydrophobicContact CD1-CD2 3.64Å; L57-L71 HydrophobicContact CD1-CG 4.28Å; L57-H76 HydrophobicContact CD1-CB 3.83Å; L57-H76 HydrophobicContact CG-CB 4.34Å; L57-Y77 PolarHBondContact N-O 3.23Å; L57-W78 HydrophobicContact CB-CB 4.35Å; L57-W78 CarbonylContact O-C 3.34Å; L57-W78 WeakPolarHBondContact O-CA 3.34Å; L57-V79 PolarHBondContact O-N 3.08Å; L57-G118 WeakPolarHBondContact CA-O 3.12Å
58L98.9Very high95.8Very high0 Ų035.4 Ų35.40%022%0.219CC..EExtended strand (participates in β ladder)trans-105.9123170.5179.966.9000110V60 V79 V81 M109 F111 F116 G118 C119 I120 L149L58-V60 HydrophobicContact CD2-CG2 3.74Å; L58-V60 HydrophobicContact CG-CG2 3.76Å; L58-V79 HydrophobicContact CD1-CB 4.49Å; L58-V81 HydrophobicContact CD1-CG2 3.99Å; L58-M109 HydrophobicContact CD2-CG 4.37Å; L58-M109 HydrophobicContact CD2-SD 3.93Å; L58-F111 HydrophobicContact CD1-CD2 4.46Å; L58-F111 HydrophobicContact CD1-CE2 3.58Å; L58-F111 HydrophobicContact CD1-CZ 3.8Å; L58-F111 HydrophobicContact CD2-CD2 4.48Å; L58-F111 HydrophobicContact CD2-CE2 4.2Å; L58-F116 HydrophobicContact CB-CB 4.44Å; L58-F116 HydrophobicContact CB-CD1 3.85Å; L58-F116 HydrophobicContact CB-CD2 3.89Å; L58-F116 HydrophobicContact CB-CE1 3.97Å; L58-F116 HydrophobicContact CB-CE2 4.01Å; L58-F116 HydrophobicContact CB-CG 3.8Å; L58-F116 HydrophobicContact CB-CZ 4.05Å; L58-F116 HydrophobicContact CD1-CE1 4.31Å; L58-F116 HydrophobicContact CD1-CE2 4.05Å; L58-F116 HydrophobicContact CD1-CZ 3.8Å; L58-F116 HydrophobicContact CD2-CD2 4.22Å; L58-F116 HydrophobicContact CD2-CE2 4.05Å; L58-F116 HydrophobicContact CG-CE2 4.26Å; L58-F116 HydrophobicContact CG-CZ 4.36Å; L58-G118 PolarHBondContact N-O 3.26Å; L58-C119 HydrophobicContact CB-CB 4.25Å; L58-C119 CarbonylContact O-C 3.53Å; L58-C119 VanDerWaalsContact O-CA 3.22Å; L58-C119 WeakPolarHBondContact O-CA 3.39Å; L58-C119 PolarHBondContact O-SG 2.77Å; L58-I120 PolarHBondContact O-N 3.48Å; L58-L149 HydrophobicContact CD2-CD1 3.68Å
59D98.8Very high95.9Very high0 Ų033.8 Ų33.80%021%0.205CC..EExtended strand (participates in β ladder)trans-101.5108.3171.4-172.29.7000110.4C62 S67 G68 L71 W78 V79 G80 V81 I120D59-C62 HydrophobicContact CB-CB 4.05Å; D59-C62 WeakPolarHBondContact OD2-CB 3.47Å; D59-S67 WeakPolarHBondContact OD2-CB 3.49Å; D59-S67 PolarHBondContact OD2-OG 2.91Å; D59-G68 PolarHBondContact OD2-N 2.88Å; D59-L71 HydrophobicContact CB-CD1 4.5Å; D59-W78 HydrophobicContact CB-CE3 4.17Å; D59-V79 PolarHBondContact N-O 2.92Å; D59-G80 WeakPolarHBondContact O-CA 3.43Å; D59-V81 PolarHBondContact O-N 3.24Å; D59-I120 HydrophobicContact CB-CG1 4.22Å
60V98.6Very high96.1Very high0 Ų033.5 Ų33.50%020%0.201CC..EExtended strand (participates in β ladder)trans-97.1122.6-176.7-179.20000110.6L58 M105 M109 I120 S121 F145L58-V60 HydrophobicContact CD2-CG2 3.74Å; L58-V60 HydrophobicContact CG-CG2 3.76Å; V60-M105 HydrophobicContact CG1-CB 3.83Å; V60-M105 HydrophobicContact CG1-CE 3.64Å; V60-M105 HydrophobicContact CG1-CG 4.34Å; V60-M105 HydrophobicContact CG1-SD 3.66Å; V60-M109 HydrophobicContact CG2-SD 4.01Å; V60-I120 PolarHBondContact N-O 3.31Å; V60-S121 WeakPolarHBondContact O-CA 3.38Å; V60-S121 WeakPolarHBondContact O-CB 3.22Å; V60-S121 PolarHBondContact O-OG 2.93Å; V60-F145 HydrophobicContact CG1-CE2 3.81Å; V60-F145 HydrophobicContact CG1-CZ 4.07Å; V60-F145 HydrophobicContact CG2-CE2 4.27Å; V60-F145 HydrophobicContact CG2-CZ 4.45Å
61G97.9Very high96.4Very high10 Ų1030 Ų3010%0.10318%0.179CC..THydrogen-bonded Turntrans71.547.6-167.700000110.9G63 V81 D82G61-G63 PolarHBondContact O-N 2.83Å; G61-V81 VanDerWaalsContact CA-O 3.25Å; G61-V81 WeakPolarHBondContact CA-O 3.49Å; G61-V81 PolarHBondContact N-O 2.84Å; G61-D82 WeakPolarHBondContact CA-OD2 3.5Å
62C98Very high96.9Very high4 Ų422 Ų223%0.02714%0.143CC..  trans-66.8-15.4-172.964.80000113.5D59 S64 G65 W78 G80 V81 D82D59-C62 HydrophobicContact CB-CB 4.05Å; D59-C62 WeakPolarHBondContact OD2-CB 3.47Å; C62-S64 PolarHBondContact O-N 3.08Å; C62-G65 WeakPolarHBondContact O-CA 3.34Å; C62-G65 PolarHBondContact O-N 3.38Å; C62-W78 HydrophobicContact CB-CZ3 4.39Å; C62-G80 VanDerWaalsContact SG-C 3.53Å; C62-G80 WeakPolarHBondContact SG-CA 3.5Å; C62-V81 PolarHBondContact N-O 3.49Å; C62-D82 PolarHBondContact N-OD2 3.11Å
63G96.9Very high97.2Very high7 Ų724.6 Ų24.67%0.07213%0.13CC..THydrogen-bonded Turntrans54.3-129.1177.900000112.4G61 G65 D82 M87G61-G63 PolarHBondContact O-N 2.83Å; G63-G65 PolarHBondContact O-N 3.08Å; G63-D82 VanDerWaalsContact CA-OD2 3.3Å; G63-D82 WeakPolarHBondContact CA-OD2 3.23Å; G63-D82 PolarHBondContact N-OD2 3.34Å; G63-M87 CarbonylContact O-C 3.58Å
64S95.9Very high97.3Very high2 Ų223.6 Ų23.61%0.01413%0.126CC..THydrogen-bonded Turntrans-80.612177.654.30000114.4S27 C62 M87 A91 R94S27-S64 WeakPolarHBondContact OG-CB 3.46Å; S27-S64 PolarHBondContact OG-OG 2.81Å; C62-S64 PolarHBondContact O-N 3.08Å; S64-M87 WeakPolarHBondContact CA-O 3.48Å; S64-A91 WeakPolarHBondContact O-CA 3.48Å; S64-R94 PolarHBondContact O-NH1 3.17Å
65G96.1Very high97.3Very high0 Ų023.6 Ų23.60%013%0.13CC..SBendtrans85.47.1174.500000115.5C62 G63 S67 G68 D69C62-G65 WeakPolarHBondContact O-CA 3.34Å; C62-G65 PolarHBondContact O-N 3.38Å; G63-G65 PolarHBondContact O-N 3.08Å; G65-S67 VanDerWaalsContact C-N 3.32Å; G65-S67 PolarHBondContact O-N 2.88Å; G65-G68 CarbonylContact O-C 3.59Å; G65-G68 WeakPolarHBondContact O-CA 3.24Å; G65-G68 PolarHBondContact O-N 3.47Å; G65-D69 VanDerWaalsContact O-CG 3.28Å; G65-D69 PolarHBondContact O-N 3.33Å
66L95.5Very high97.3Very high9 Ų924.3 Ų24.35%0.04713%0.133CC..Hα-helixtrans-57.9-39.6-178-70.2170.7000113.8Y26 I33 Q36Y26-L66 HydrophobicContact CE1-CD1 4.19Å; I33-L66 HydrophobicContact CB-CD2 4.5Å; I33-L66 HydrophobicContact CG1-CD1 4.32Å; I33-L66 HydrophobicContact CG1-CD2 4Å; I33-L66 HydrophobicContact CG2-CD2 4.16Å; Q36-L66 HydrophobicContact CB-CB 4.3Å; Q36-L66 HydrophobicContact CB-CD1 4.16Å; Q36-L66 HydrophobicContact CG-CD1 4.13Å
67S97.1Very high97.3Very high3 Ų328.3 Ų28.32%0.02115%0.147CC..Hα-helixtrans-71.8-37.8174.935.30000111.8S40 D59 G65 Y70 L71S40-S67 WeakPolarHBondContact OG-CA 3.41Å; S40-S67 WeakPolarHBondContact OG-CB 3.5Å; D59-S67 WeakPolarHBondContact OD2-CB 3.49Å; D59-S67 PolarHBondContact OD2-OG 2.91Å; G65-S67 VanDerWaalsContact C-N 3.32Å; G65-S67 PolarHBondContact O-N 2.88Å; S67-Y70 PolarHBondContact O-N 2.95Å; S67-L71 PolarHBondContact O-N 3.06Å
68G97.3Very high97.3Very high0 Ų028.7 Ų28.70%015%0.148CC..Hα-helixtrans-64.4-38.9175.700000113.7D59 G65 Y70 L71 T72 W78D59-G68 PolarHBondContact OD2-N 2.88Å; G65-G68 CarbonylContact O-C 3.59Å; G65-G68 WeakPolarHBondContact O-CA 3.24Å; G65-G68 PolarHBondContact O-N 3.47Å; G68-Y70 VanDerWaalsContact C-N 3.26Å; G68-Y70 PolarHBondContact O-N 3.06Å; G68-L71 WeakPolarHBondContact O-CA 3.22Å; G68-L71 WeakPolarHBondContact O-CB 3.41Å; G68-L71 PolarHBondContact O-N 2.85Å; G68-T72 PolarHBondContact O-N 3Å; G68-W78 VanDerWaalsContact CA-CZ2 3.42Å; G68-W78 PolarHBondContact O-NE1 2.83Å
69D96.3Very high97.3Very high35 Ų3529.2 Ų29.219%0.18715%0.151CC..Hα-helixtrans-56.6-43.4174.6-65.7-32.6000111.1G65 L71 T72 E73 R94 V96G65-D69 VanDerWaalsContact O-CG 3.28Å; G65-D69 PolarHBondContact O-N 3.33Å; D69-L71 VanDerWaalsContact C-N 3.32Å; D69-L71 PolarHBondContact O-N 3.16Å; D69-T72 WeakPolarHBondContact O-CB 3.47Å; D69-T72 PolarHBondContact O-N 3.08Å; D69-E73 WeakPolarHBondContact O-CG 3.38Å; D69-E73 PolarHBondContact O-N 2.9Å; D69-R94 IonicContact OD2-CZ 3.14Å; D69-R94 IonicContact OD2-NH1 2.77Å; D69-R94 PolarHBondContact OD2-NH1 3.09Å; D69-R94 IonicContact OD2-NH2 3.33Å; D69-R94 PolarHBondContact OD2-NH2 3.33Å; D69-V96 WeakPolarHBondContact OD1-CG1 3.48Å
70Y96.8Very high97.3Very high26 Ų2629.2 Ų29.210%0.10215%0.151CC..Hα-helixtrans-63.4-37.5175.9-176.8-97.2000112T37 E41 V44 S67 G68 T72 E73 E74T37-Y70 HydrophobicContact CG2-CD2 4.35Å; E41-Y70 VanDerWaalsContact CA-CZ 3.5Å; E41-Y70 HydrophobicContact CB-CE1 4.15Å; E41-Y70 HydrophobicContact CB-CE2 4.01Å; E41-Y70 HydrophobicContact CG-CE2 4.4Å; V44-Y70 HydrophobicContact CB-CE1 3.86Å; V44-Y70 HydrophobicContact CG1-CE1 4.28Å; V44-Y70 HydrophobicContact CG2-CD1 3.92Å; V44-Y70 HydrophobicContact CG2-CE1 3.71Å; S67-Y70 PolarHBondContact O-N 2.95Å; G68-Y70 VanDerWaalsContact C-N 3.26Å; G68-Y70 PolarHBondContact O-N 3.06Å; Y70-T72 VanDerWaalsContact C-N 3.33Å; Y70-T72 PolarHBondContact O-N 2.73Å; Y70-E73 PolarHBondContact O-N 3.41Å; Y70-E74 HydrophobicContact CD1-CG 4.28Å; Y70-E74 HydrophobicContact CE1-CG 3.64Å; Y70-E74 HydrophobicContact CE2-CG 4.2Å; Y70-E74 WeakPolarHBondContact O-CG 3.44Å; Y70-E74 PolarHBondContact O-N 3.42Å; Y70-E74 PolarHBondContact OH-OE1 2.73Å
71L98Very high97.3Very high0 Ų029.4 Ų29.40%015%0.153CC..Hα-helixtrans-63.1-40.7173.9-59.8-176000111.9V44 L57 D59 S67 G68 D69 E74 G75 H76 W78 I120V44-L71 HydrophobicContact CG2-CD2 3.48Å; V44-L71 VanDerWaalsContact CG2-CD2 3.48Å; L57-L71 HydrophobicContact CB-CD1 4.04Å; L57-L71 HydrophobicContact CD1-CD1 4.01Å; L57-L71 HydrophobicContact CD1-CD2 3.64Å; L57-L71 HydrophobicContact CD1-CG 4.28Å; D59-L71 HydrophobicContact CB-CD1 4.5Å; S67-L71 PolarHBondContact O-N 3.06Å; G68-L71 WeakPolarHBondContact O-CA 3.22Å; G68-L71 WeakPolarHBondContact O-CB 3.41Å; G68-L71 PolarHBondContact O-N 2.85Å; D69-L71 VanDerWaalsContact C-N 3.32Å; D69-L71 PolarHBondContact O-N 3.16Å; L71-E74 PolarHBondContact O-N 3.44Å; L71-G75 PolarHBondContact O-N 2.91Å; L71-H76 HydrophobicContact CB-CB 4.45Å; L71-H76 WeakPolarHBondContact O-CB 3.24Å; L71-H76 PolarHBondContact O-N 3.35Å; L71-W78 HydrophobicContact CB-CB 4.47Å; L71-W78 HydrophobicContact CB-CG 4.21Å; L71-W78 HydrophobicContact CD1-CB 3.69Å; L71-W78 HydrophobicContact CD1-CG 3.97Å; L71-I120 HydrophobicContact CD1-CD1 3.89Å; L71-I120 HydrophobicContact CD1-CG1 4.19Å; L71-I120 HydrophobicContact CD2-CD1 3.84Å; L71-I120 HydrophobicContact CG-CD1 4Å
72T97.8Very high97.3Very high29 Ų2929.9 Ų29.918%0.17815%0.153CC..Hα-helixtrans-63.5-44.7174.8-70.40000111.4G68 D69 Y70 E74 G75 W78 E97G68-T72 PolarHBondContact O-N 3Å; D69-T72 WeakPolarHBondContact O-CB 3.47Å; D69-T72 PolarHBondContact O-N 3.08Å; Y70-T72 VanDerWaalsContact C-N 3.33Å; Y70-T72 PolarHBondContact O-N 2.73Å; T72-E74 VanDerWaalsContact C-N 3.27Å; T72-E74 PolarHBondContact O-N 2.93Å; T72-G75 WeakPolarHBondContact O-CA 3.34Å; T72-G75 PolarHBondContact O-N 3.42Å; T72-W78 PolarHBondContact OG1-NE1 2.86Å; T72-E97 HydrophobicContact CG2-CB 4.18Å; T72-E97 HydrophobicContact CG2-CG 3.91Å; T72-E97 WeakPolarHBondContact CG2-OE1 3.24Å; T72-E97 WeakPolarHBondContact CG2-OE2 3.37Å
73E95.7Very high97.3Very high149 Ų14931.9 Ų31.970%0.69616%0.163SC*.Hα-helixtrans-59.8-36.5177-73.5175.3177.200112.4D69 Y70 G75D69-E73 WeakPolarHBondContact O-CG 3.38Å; D69-E73 PolarHBondContact O-N 2.9Å; Y70-E73 PolarHBondContact O-N 3.41Å; E73-G75 PolarHBondContact O-N 3.25Å
74E95.6Very high97.3Very high99 Ų9931.7 Ų31.746%0.46316%0.16SC..THydrogen-bonded Turntrans-77.93173.3-65.9-64.1144.400113.5Y70 L71 T72Y70-E74 HydrophobicContact CD1-CG 4.28Å; Y70-E74 HydrophobicContact CE1-CG 3.64Å; Y70-E74 HydrophobicContact CE2-CG 4.2Å; Y70-E74 WeakPolarHBondContact O-CG 3.44Å; Y70-E74 PolarHBondContact O-N 3.42Å; Y70-E74 PolarHBondContact OH-OE1 2.73Å; L71-E74 PolarHBondContact O-N 3.44Å; T72-E74 VanDerWaalsContact C-N 3.27Å; T72-E74 PolarHBondContact O-N 2.93Å
75G97Very high97.3Very high45 Ų4535.1 Ų35.146%0.46418%0.181SC..THydrogen-bonded Turntrans76.327176.400000114.2A54 L71 T72 E73A54-G75 VanDerWaalsContact CB-O 3.26Å; A54-G75 WeakPolarHBondContact CB-O 3.21Å; L71-G75 PolarHBondContact O-N 2.91Å; T72-G75 WeakPolarHBondContact O-CA 3.34Å; T72-G75 PolarHBondContact O-N 3.42Å; E73-G75 PolarHBondContact O-N 3.25Å
76H98.3Very high97.2Very high20 Ų2035.8 Ų35.89%0.09319%0.186CC..  trans-101.8150.9176.1-60.8-29.9000112.2L49 C55 L57 L71L49-H76 VanDerWaalsContact CD1-NE2 3.26Å; L49-H76 WeakPolarHBondContact CD1-NE2 3.35Å; C55-H76 PolarHBondContact N-ND1 3.33Å; L57-H76 HydrophobicContact CD1-CB 3.83Å; L57-H76 HydrophobicContact CG-CB 4.34Å; L71-H76 HydrophobicContact CB-CB 4.45Å; L71-H76 WeakPolarHBondContact O-CB 3.24Å; L71-H76 PolarHBondContact O-N 3.35Å
77Y98.6Very high97.3Very high157 Ų15735.8 Ų35.862%0.61619%0.186SC*.EExtended strand (participates in β ladder)trans-92.2144.2171.5-57.2-72.5000108.8A54 C55 F56 L57A54-Y77 HydrophobicContact CB-CD2 4.16Å; A54-Y77 HydrophobicContact CB-CE2 3.78Å; C55-Y77 PolarHBondContact O-N 2.91Å; F56-Y77 CarbonylContact C-O 3.58Å; F56-Y77 WeakPolarHBondContact CA-O 3.39Å; L57-Y77 PolarHBondContact N-O 3.23Å
78W98.8Very high97.3Very high8 Ų836.2 Ų36.23%0.0319%0.188CC..EExtended strand (participates in β ladder)trans-148.1157.2-177.663.3-82.4000114.1L57 D59 C62 G68 L71 T72 V96 G98 D99 L100L57-W78 HydrophobicContact CB-CB 4.35Å; L57-W78 CarbonylContact O-C 3.34Å; L57-W78 WeakPolarHBondContact O-CA 3.34Å; D59-W78 HydrophobicContact CB-CE3 4.17Å; C62-W78 HydrophobicContact CB-CZ3 4.39Å; G68-W78 VanDerWaalsContact CA-CZ2 3.42Å; G68-W78 PolarHBondContact O-NE1 2.83Å; L71-W78 HydrophobicContact CB-CB 4.47Å; L71-W78 HydrophobicContact CB-CG 4.21Å; L71-W78 HydrophobicContact CD1-CB 3.69Å; L71-W78 HydrophobicContact CD1-CG 3.97Å; T72-W78 PolarHBondContact OG1-NE1 2.86Å; W78-V96 HydrophobicContact CH2-CB 4.29Å; W78-V96 HydrophobicContact CH2-CG2 4.05Å; W78-V96 HydrophobicContact CZ2-CB 4.05Å; W78-V96 HydrophobicContact CZ2-CG2 4.22Å; W78-G98 VanDerWaalsContact CE2-CA 3.48Å; W78-G98 WeakPolarHBondContact O-CA 3.49Å; W78-D99 PolarHBondContact O-N 3.34Å; W78-L100 HydrophobicContact CH2-CD2 3.99Å; W78-L100 HydrophobicContact CZ3-CD2 4.01Å
79V98.8Very high97.2Very high10 Ų1039.8 Ų39.86%0.06121%0.207CC..EExtended strand (participates in β ladder)trans-120.7129.6168.81800000108.1F56 L57 L58 D59 D99 L101 F111 F116F56-V79 HydrophobicContact CE2-CG2 3.78Å; F56-V79 HydrophobicContact CZ-CG2 3.49Å; F56-V79 VanDerWaalsContact CZ-CG2 3.49Å; L57-V79 PolarHBondContact O-N 3.08Å; L58-V79 HydrophobicContact CD1-CB 4.49Å; D59-V79 PolarHBondContact N-O 2.92Å; V79-D99 CarbonylContact C-O 3.45Å; V79-D99 WeakPolarHBondContact CA-O 3.4Å; V79-D99 HydrophobicContact CG1-CB 4.47Å; V79-D99 HydrophobicContact CG2-CB 4.32Å; V79-L101 HydrophobicContact CG1-CD1 3.5Å; V79-L101 HydrophobicContact CG1-CG 4.11Å; V79-F111 HydrophobicContact CG1-CE1 4.09Å; V79-F111 HydrophobicContact CG1-CZ 3.97Å; V79-F116 HydrophobicContact CB-CE1 4.16Å; V79-F116 HydrophobicContact CB-CZ 4.34Å; V79-F116 HydrophobicContact CG2-CE1 4.11Å; V79-F116 HydrophobicContact CG2-CZ 4.44Å
80G98.6Very high97.1Very high0 Ų038.8 Ų38.80%020%0.203CC..EExtended strand (participates in β ladder)trans-98.1136.2176.300000112.2D59 C62 D99 L101D59-G80 WeakPolarHBondContact O-CA 3.43Å; C62-G80 VanDerWaalsContact SG-C 3.53Å; C62-G80 WeakPolarHBondContact SG-CA 3.5Å; G80-D99 PolarHBondContact N-O 2.72Å; G80-L101 PolarHBondContact O-N 3.14Å
81V98.7Very high97.1Very high5 Ų537.6 Ų37.63%0.0320%0.198CC..EExtended strand (participates in β ladder)trans-120.3122.8170-177.80000109.3L58 D59 G61 C62 L101 M109 F111L58-V81 HydrophobicContact CD1-CG2 3.99Å; D59-V81 PolarHBondContact O-N 3.24Å; G61-V81 VanDerWaalsContact CA-O 3.25Å; G61-V81 WeakPolarHBondContact CA-O 3.49Å; G61-V81 PolarHBondContact N-O 2.84Å; C62-V81 PolarHBondContact N-O 3.49Å; V81-L101 WeakPolarHBondContact CA-O 3.18Å; V81-L101 HydrophobicContact CG2-CB 4.19Å; V81-L101 HydrophobicContact CG2-CD1 4.29Å; V81-M109 HydrophobicContact CG1-CE 4.5Å; V81-F111 HydrophobicContact CG2-CE2 4.08Å; V81-F111 HydrophobicContact CG2-CZ 3.96Å
82D98.5Very high97Very high20 Ų2042.8 Ų42.811%0.10723%0.225CC..EExtended strand (participates in β ladder)trans-137.1154.7171.8-154.1-76.5000111.5G61 C62 G63 S84 L88 L101 L102 G103G61-D82 WeakPolarHBondContact CA-OD2 3.5Å; C62-D82 PolarHBondContact N-OD2 3.11Å; G63-D82 VanDerWaalsContact CA-OD2 3.3Å; G63-D82 WeakPolarHBondContact CA-OD2 3.23Å; G63-D82 PolarHBondContact N-OD2 3.34Å; D82-S84 PolarHBondContact OD1-N 3.2Å; D82-L88 HydrophobicContact CB-CD1 4.49Å; D82-L88 HydrophobicContact CB-CD2 3.7Å; D82-L88 HydrophobicContact CB-CG 4.06Å; D82-L101 PolarHBondContact N-O 2.77Å; D82-L101 VanDerWaalsContact N-O 3.08Å; D82-L102 CarbonylContact O-C 3.56Å; D82-L102 WeakPolarHBondContact O-CA 3.5Å; D82-G103 CarbonylContact C-O 3.56Å; D82-G103 PolarHBondContact O-N 2.93Å
83I97Very high96.8Very high46 Ų4647.5 Ų47.524%0.23625%0.249CC..SBendtrans-89.5-22.6179.3-161.4177.4000112.1P14 D15 L102 G103 D104P14-I83 HydrophobicContact CB-CG2 3.9Å; P14-I83 HydrophobicContact CG-CG2 3.78Å; D15-I83 HydrophobicContact CB-CD1 4.5Å; D15-I83 HydrophobicContact CB-CG1 4.28Å; D15-I83 HydrophobicContact CB-CG2 4.49Å; I83-L102 WeakPolarHBondContact O-CD1 3.3Å; I83-G103 PolarHBondContact N-O 3.17Å; I83-D104 HydrophobicContact CD1-CB 3.82Å; I83-D104 HydrophobicContact CG1-CB 4.18Å
84S96.4Very high96.6Very high2 Ų245 Ų451%0.01423%0.233CC..  trans-88.7113.8-179.31720000111Y18 D82 A86 M87 L88Y18-S84 PolarHBondContact O-OG 2.9Å; D82-S84 PolarHBondContact OD1-N 3.2Å; S84-A86 VanDerWaalsContact C-N 3.29Å; S84-A86 PolarHBondContact O-N 3.25Å; S84-A86 PolarHBondContact OG-N 3.13Å; S84-M87 PolarHBondContact O-N 2.82Å; S84-M87 WeakPolarHBondContact OG-CG 3.24Å; S84-M87 PolarHBondContact OG-N 3.34Å; S84-M87 VanDerWaalsContact OG-N 3.14Å; S84-L88 WeakPolarHBondContact O-CG 3.28Å; S84-L88 PolarHBondContact O-N 3.45Å; S84-L88 VanDerWaalsContact O-N 3.17Å
85T96.4Very high96.5Very high74 Ų7448.5 Ų48.545%0.45425%0.25SS..Hα-helixtrans-57.8-42.8171.3-51.70000111.4M87 L88 D89T85-M87 VanDerWaalsContact C-N 3.31Å; T85-M87 PolarHBondContact O-N 2.82Å; T85-L88 PolarHBondContact O-N 3.1Å; T85-L88 VanDerWaalsContact O-N 3.14Å; T85-D89 VanDerWaalsContact O-CG 3.23Å; T85-D89 PolarHBondContact O-N 3.43Å
86A95.2Very high96.5Very high14 Ų1447.4 Ų47.412%0.11623%0.234CC..Hα-helixtrans-64.4-33.9-179.400000113Y18 E20 A23 S84 V90Y18-A86 WeakPolarHBondContact O-CB 3.36Å; E20-A86 HydrophobicContact CG-CB 4.3Å; A23-A86 HydrophobicContact CB-CB 4.16Å; S84-A86 VanDerWaalsContact C-N 3.29Å; S84-A86 PolarHBondContact O-N 3.25Å; S84-A86 PolarHBondContact OG-N 3.13Å; A86-V90 WeakPolarHBondContact O-CG2 3.5Å; A86-V90 PolarHBondContact O-N 2.98Å
87M96.1Very high96.4Very high9 Ų953.9 Ų53.94%0.04427%0.265CS..Hα-helixtrans-68.7-41.9174.1-69.2-71.1-85.900111.3Y18 A23 Y26 G63 S64 S84 T85 V90 A91Y18-M87 HydrophobicContact CD1-CE 4.14Å; Y18-M87 HydrophobicContact CD1-CG 4.35Å; Y18-M87 HydrophobicContact CD1-SD 3.8Å; Y18-M87 HydrophobicContact CE1-CE 4.27Å; Y18-M87 HydrophobicContact CE1-SD 4.47Å; Y18-M87 HydrophobicContact CG-CG 4.08Å; Y18-M87 HydrophobicContact CG-SD 4.15Å; A23-M87 HydrophobicContact CB-CG 4.24Å; A23-M87 HydrophobicContact CB-SD 3.61Å; Y26-M87 HydrophobicContact CD1-CE 4.1Å; Y26-M87 HydrophobicContact CE1-CE 4.35Å; G63-M87 CarbonylContact O-C 3.58Å; S64-M87 WeakPolarHBondContact CA-O 3.48Å; S84-M87 PolarHBondContact O-N 2.82Å; S84-M87 WeakPolarHBondContact OG-CG 3.24Å; S84-M87 PolarHBondContact OG-N 3.34Å; S84-M87 VanDerWaalsContact OG-N 3.14Å; T85-M87 VanDerWaalsContact C-N 3.31Å; T85-M87 PolarHBondContact O-N 2.82Å; M87-V90 PolarHBondContact O-N 3.46Å; M87-A91 PolarHBondContact O-N 3.29Å
88L97.1Very high96.4Very high12 Ų1246.9 Ų46.96%0.06324%0.24CC..Hα-helixtrans-66.5-37176.2-64.3-178.2000112.5D82 S84 T85 V90 A91 L92 L100 L102D82-L88 HydrophobicContact CB-CD1 4.49Å; D82-L88 HydrophobicContact CB-CD2 3.7Å; D82-L88 HydrophobicContact CB-CG 4.06Å; S84-L88 WeakPolarHBondContact O-CG 3.28Å; S84-L88 PolarHBondContact O-N 3.45Å; S84-L88 VanDerWaalsContact O-N 3.17Å; T85-L88 PolarHBondContact O-N 3.1Å; T85-L88 VanDerWaalsContact O-N 3.14Å; L88-V90 VanDerWaalsContact C-N 3.29Å; L88-V90 PolarHBondContact O-N 3.33Å; L88-A91 WeakPolarHBondContact O-CA 3.45Å; L88-A91 WeakPolarHBondContact O-CB 3.43Å; L88-A91 PolarHBondContact O-N 3.13Å; L88-A91 VanDerWaalsContact O-N 3.08Å; L88-L92 WeakPolarHBondContact O-CG 3.41Å; L88-L92 PolarHBondContact O-N 2.86Å; L88-L100 HydrophobicContact CD2-CB 4.25Å; L88-L100 HydrophobicContact CD2-CD1 4.5Å; L88-L100 HydrophobicContact CD2-CD2 4.2Å; L88-L102 HydrophobicContact CD1-CB 3.91Å; L88-L102 HydrophobicContact CD1-CD1 4Å
89D96.3Very high96.4Very high75 Ų7552.3 Ų52.340%0.40127%0.27SS..Hα-helixtrans-61.2-40.8174.3-67.9-25.1000110.7T85 A91 L92 D93T85-D89 VanDerWaalsContact O-CG 3.23Å; T85-D89 PolarHBondContact O-N 3.43Å; D89-A91 VanDerWaalsContact C-N 3.33Å; D89-A91 PolarHBondContact O-N 2.94Å; D89-L92 PolarHBondContact O-N 3.27Å; D89-D93 PolarHBondContact O-N 3.22Å
90V94.6Very high96.4Very high15 Ų1553.7 Ų53.79%0.09128%0.277CS..Hα-helixtrans-65.1-37.3173176.90000111.6A23 K24 S27 A86 M87 L88 L92 D93 R94A23-V90 HydrophobicContact CB-CG2 4.04Å; K24-V90 HydrophobicContact CG-CG2 4.28Å; S27-V90 WeakPolarHBondContact OG-CG1 3.08Å; A86-V90 WeakPolarHBondContact O-CG2 3.5Å; A86-V90 PolarHBondContact O-N 2.98Å; M87-V90 PolarHBondContact O-N 3.46Å; L88-V90 VanDerWaalsContact C-N 3.29Å; L88-V90 PolarHBondContact O-N 3.33Å; V90-L92 VanDerWaalsContact C-N 3.34Å; V90-D93 PolarHBondContact O-N 3.34Å; V90-R94 HydrophobicContact CG1-CG 4.46Å; V90-R94 WeakPolarHBondContact O-CB 3.42Å; V90-R94 WeakPolarHBondContact O-CG 3.49Å; V90-R94 PolarHBondContact O-N 2.99Å; V90-R94 VanDerWaalsContact O-N 3.09Å
91A95.8Very high96.3Very high0 Ų057.1 Ų57.10%030%0.295CS..Hα-helixtrans-64.4-39.5174.800000111.9S64 M87 L88 D89 R94 E95 V96 L100S64-A91 WeakPolarHBondContact O-CA 3.48Å; M87-A91 PolarHBondContact O-N 3.29Å; L88-A91 WeakPolarHBondContact O-CA 3.45Å; L88-A91 WeakPolarHBondContact O-CB 3.43Å; L88-A91 PolarHBondContact O-N 3.13Å; L88-A91 VanDerWaalsContact O-N 3.08Å; D89-A91 VanDerWaalsContact C-N 3.33Å; D89-A91 PolarHBondContact O-N 2.94Å; A91-R94 PolarHBondContact O-N 3.42Å; A91-E95 PolarHBondContact O-N 2.95Å; A91-V96 HydrophobicContact CB-CG1 4.44Å; A91-V96 HydrophobicContact CB-CG2 4.21Å; A91-V96 PolarHBondContact O-N 3.37Å; A91-L100 HydrophobicContact CB-CD1 3.51Å; A91-L100 HydrophobicContact CB-CD2 4.35Å
92L95Very high96.3Very high109 Ų10962.1 Ų62.157%0.57132%0.321SS*.Hα-helixtrans-64-44.8174.3-70.4172000111.9L88 D89 V90 R94 E95 L100L88-L92 WeakPolarHBondContact O-CG 3.41Å; L88-L92 PolarHBondContact O-N 2.86Å; D89-L92 PolarHBondContact O-N 3.27Å; V90-L92 VanDerWaalsContact C-N 3.34Å; L92-R94 PolarHBondContact O-N 3.46Å; L92-E95 PolarHBondContact O-N 3.1Å; L92-L100 HydrophobicContact CD2-CD1 3.96Å; L92-L100 HydrophobicContact CG-CD1 4.01Å
93D94.6Very high96.3Very high129 Ų12962.4 Ų62.469%0.6933%0.328SS*.Hα-helixtrans-61.6-26.3176.1-76.8-13.7000112.6D89 V90 E95D89-D93 PolarHBondContact O-N 3.22Å; V90-D93 PolarHBondContact O-N 3.34Å; D93-E95 VanDerWaalsContact C-N 3.3Å
94R91.6Very high96.3Very high95 Ų9561.2 Ų61.236%0.35832%0.322SS..THydrogen-bonded Turntrans-84.7-3175.6-68.7173.179.1-130.5-10.4113.3S64 D69 V90 A91 L92 V96S64-R94 PolarHBondContact O-NH1 3.17Å; D69-R94 IonicContact OD2-CZ 3.14Å; D69-R94 IonicContact OD2-NH1 2.77Å; D69-R94 PolarHBondContact OD2-NH1 3.09Å; D69-R94 IonicContact OD2-NH2 3.33Å; D69-R94 PolarHBondContact OD2-NH2 3.33Å; V90-R94 HydrophobicContact CG1-CG 4.46Å; V90-R94 WeakPolarHBondContact O-CB 3.42Å; V90-R94 WeakPolarHBondContact O-CG 3.49Å; V90-R94 PolarHBondContact O-N 2.99Å; V90-R94 VanDerWaalsContact O-N 3.09Å; A91-R94 PolarHBondContact O-N 3.42Å; L92-R94 PolarHBondContact O-N 3.46Å; R94-V96 VanDerWaalsContact C-N 3.31Å; R94-V96 HydrophobicContact CB-CG1 4.24Å; R94-V96 PolarHBondContact O-N 3.03Å
95E94.3Very high96.3Very high174 Ų17462.3 Ų62.381%0.81333%0.327SS*.THydrogen-bonded Turntrans54.343.8179.4-57.9-175.6166.700113.1A91 L92 D93A91-E95 PolarHBondContact O-N 2.95Å; L92-E95 PolarHBondContact O-N 3.1Å; D93-E95 VanDerWaalsContact C-N 3.3Å
96V96.2Very high96.3Very high22 Ų2259 Ų5913%0.13331%0.308CS..  trans-60.7146.6177.2-57.60000111.7D69 W78 A91 R94 L100D69-V96 WeakPolarHBondContact OD1-CG1 3.48Å; W78-V96 HydrophobicContact CH2-CB 4.29Å; W78-V96 HydrophobicContact CH2-CG2 4.05Å; W78-V96 HydrophobicContact CZ2-CB 4.05Å; W78-V96 HydrophobicContact CZ2-CG2 4.22Å; A91-V96 HydrophobicContact CB-CG1 4.44Å; A91-V96 HydrophobicContact CB-CG2 4.21Å; A91-V96 PolarHBondContact O-N 3.37Å; R94-V96 VanDerWaalsContact C-N 3.31Å; R94-V96 HydrophobicContact CB-CG1 4.24Å; R94-V96 PolarHBondContact O-N 3.03Å; V96-L100 HydrophobicContact CG2-CD1 3.94Å; V96-L100 HydrophobicContact CG2-CD2 4.19Å; V96-L100 HydrophobicContact CG2-CG 4.2Å
97E97Very high96.4Very high156 Ų15665.3 Ų65.373%0.72934%0.335SS*.SBendtrans-77.2-24.5-176.2-67-169.4-164.500114.3T72T72-E97 HydrophobicContact CG2-CB 4.18Å; T72-E97 HydrophobicContact CG2-CG 3.91Å; T72-E97 WeakPolarHBondContact CG2-OE1 3.24Å; T72-E97 WeakPolarHBondContact CG2-OE2 3.37Å
98G97.3Very high96.4Very high10 Ų1065.4 Ų65.410%0.10334%0.339CS..SBendtrans-78151.5-177.400000113.6W78W78-G98 VanDerWaalsContact CE2-CA 3.48Å; W78-G98 WeakPolarHBondContact O-CA 3.49Å
99D98.4Very high96.5Very high121 Ų12165.3 Ų65.365%0.64734%0.338SS*.EExtended strand (participates in β ladder)trans-71.2135.4173.4-80-21000110.4W78 V79 G80W78-D99 PolarHBondContact O-N 3.34Å; V79-D99 CarbonylContact C-O 3.45Å; V79-D99 WeakPolarHBondContact CA-O 3.4Å; V79-D99 HydrophobicContact CG1-CB 4.47Å; V79-D99 HydrophobicContact CG2-CB 4.32Å; G80-D99 PolarHBondContact N-O 2.72Å
100L98.5Very high96.5Very high40 Ų4067 Ų6721%0.20935%0.353CS..EExtended strand (participates in β ladder)trans-109.1133.9-177.8-61.2175.9000111.7W78 L88 A91 L92 V96W78-L100 HydrophobicContact CH2-CD2 3.99Å; W78-L100 HydrophobicContact CZ3-CD2 4.01Å; L88-L100 HydrophobicContact CD2-CB 4.25Å; L88-L100 HydrophobicContact CD2-CD1 4.5Å; L88-L100 HydrophobicContact CD2-CD2 4.2Å; A91-L100 HydrophobicContact CB-CD1 3.51Å; A91-L100 HydrophobicContact CB-CD2 4.35Å; L92-L100 HydrophobicContact CD2-CD1 3.96Å; L92-L100 HydrophobicContact CG-CD1 4.01Å; V96-L100 HydrophobicContact CG2-CD1 3.94Å; V96-L100 HydrophobicContact CG2-CD2 4.19Å; V96-L100 HydrophobicContact CG2-CG 4.2Å
101L98.2Very high96.7Very high72 Ų7268.5 Ų68.538%0.37736%0.358SS..EExtended strand (participates in β ladder)trans-126.1123.4179.9-66.9168.6000111V79 G80 V81 D82 G103 F111V79-L101 HydrophobicContact CG1-CD1 3.5Å; V79-L101 HydrophobicContact CG1-CG 4.11Å; G80-L101 PolarHBondContact O-N 3.14Å; V81-L101 WeakPolarHBondContact CA-O 3.18Å; V81-L101 HydrophobicContact CG2-CB 4.19Å; V81-L101 HydrophobicContact CG2-CD1 4.29Å; D82-L101 PolarHBondContact N-O 2.77Å; D82-L101 VanDerWaalsContact N-O 3.08Å; L101-G103 PolarHBondContact O-N 3.14Å; L101-F111 HydrophobicContact CD1-CE1 3.61Å; L101-F111 HydrophobicContact CD1-CZ 3.46Å; L101-F111 VanDerWaalsContact CD1-CZ 3.46Å
102L98.3Very high96.8Very high110 Ų11078.4 Ų78.458%0.57640%0.396SS*.EExtended strand (participates in β ladder)trans-73.5113.5168.3-176.666000109.6D82 I83 L88D82-L102 CarbonylContact O-C 3.56Å; D82-L102 WeakPolarHBondContact O-CA 3.5Å; I83-L102 WeakPolarHBondContact O-CD1 3.3Å; L88-L102 HydrophobicContact CD1-CB 3.91Å; L88-L102 HydrophobicContact CD1-CD1 4Å
103G97.4Very high97Very high25 Ų2578.3 Ų78.326%0.25840%0.402SS..  trans-162.1142-176.200000114.9D82 I83 L101 M105D82-G103 CarbonylContact C-O 3.56Å; D82-G103 PolarHBondContact O-N 2.93Å; I83-G103 PolarHBondContact N-O 3.17Å; L101-G103 PolarHBondContact O-N 3.14Å; G103-M105 PolarHBondContact O-N 3.34Å
104D97Very high97.1Very high22 Ų2274.1 Ų74.112%0.11839%0.389CS..  trans-85.6107.8170.4177.41.4000109.8I83 G106 Q107 R141I83-D104 HydrophobicContact CD1-CB 3.82Å; I83-D104 HydrophobicContact CG1-CB 4.18Å; D104-G106 PolarHBondContact O-N 3.48Å; D104-G106 PolarHBondContact OD1-N 3.08Å; D104-Q107 HydrophobicContact CB-CG 3.98Å; D104-Q107 WeakPolarHBondContact O-CB 3.14Å; D104-Q107 PolarHBondContact O-N 3.02Å; D104-Q107 PolarHBondContact OD2-NE2 3.29Å; D104-R141 VanDerWaalsContact CG-NH2 3.35Å; D104-R141 IonicContact OD1-CZ 2.88Å; D104-R141 IonicContact OD1-NH1 3.65Å; D104-R141 IonicContact OD1-NH2 3.92Å; D104-R141 PolarHBondContact OD1-NH2 2.82Å; D104-R141 IonicContact OD2-CZ 2.85Å; D104-R141 IonicContact OD2-NH1 3.75Å; D104-R141 PolarHBondContact OD2-NH1 3.29Å; D104-R141 IonicContact OD2-NH2 2.91Å; D104-R141 PolarHBondContact OD2-NH2 3.42Å
105M97.4Very high97.4Very high24 Ų2471.7 Ų71.712%0.11839%0.385CS..G310 helixtrans-57.3-25.5-179.871.717286.100113.9V60 G103 Q107 G108 M109 A124 L128 F145V60-M105 HydrophobicContact CG1-CB 3.83Å; V60-M105 HydrophobicContact CG1-CE 3.64Å; V60-M105 HydrophobicContact CG1-CG 4.34Å; V60-M105 HydrophobicContact CG1-SD 3.66Å; G103-M105 PolarHBondContact O-N 3.34Å; M105-Q107 PolarHBondContact O-N 3.43Å; M105-G108 PolarHBondContact O-N 3.21Å; M105-G108 VanDerWaalsContact O-N 3.08Å; M105-M109 HydrophobicContact CB-CE 3.55Å; M105-A124 HydrophobicContact CE-CB 3.82Å; M105-L128 HydrophobicContact CG-CD1 3.93Å; M105-L128 HydrophobicContact CG-CD2 3.86Å; M105-L128 HydrophobicContact CG-CG 4.01Å; M105-L128 HydrophobicContact SD-CD1 3.95Å; M105-L128 HydrophobicContact SD-CD2 4.45Å; M105-L128 HydrophobicContact SD-CG 4Å; M105-F145 HydrophobicContact CB-CD2 3.96Å; M105-F145 HydrophobicContact CB-CE2 4.16Å; M105-F145 HydrophobicContact CG-CD2 4.44Å; M105-F145 WeakPolarHBondContact O-CB 3.35Å; M105-F145 WeakPolarHBondContact O-CD2 3.47Å
106G96.9Very high97.6Very high5 Ų563.4 Ų63.45%0.05235%0.346CS..G310 helixtrans-71.5-11177.600000114.2D104D104-G106 PolarHBondContact O-N 3.48Å; D104-G106 PolarHBondContact OD1-N 3.08Å
107Q96.6Very high97.7Very high146 Ų14665.5 Ų65.568%0.68236%0.356SS*.G310 helixtrans-91.3-7.9172.3-59.8179.723.500112.3D104 M105D104-Q107 HydrophobicContact CB-CG 3.98Å; D104-Q107 WeakPolarHBondContact O-CB 3.14Å; D104-Q107 PolarHBondContact O-N 3.02Å; D104-Q107 PolarHBondContact OD2-NE2 3.29Å; M105-Q107 PolarHBondContact O-N 3.43Å
108G97.1Very high97.8Very high12 Ų1258 Ų5812%0.12432%0.322CS..  trans103.7166.8179.700000113.5M105 T148M105-G108 PolarHBondContact O-N 3.21Å; M105-G108 VanDerWaalsContact O-N 3.08Å; G108-T148 WeakPolarHBondContact CA-OG1 3.42Å
109M97.8Very high97.9Very high9 Ų957.6 Ų57.64%0.04432%0.317CS..  trans-93.1116.8-177.4-65.5-6495.400110.6L58 V60 V81 M105 F111 F145 T148 L149L58-M109 HydrophobicContact CD2-CG 4.37Å; L58-M109 HydrophobicContact CD2-SD 3.93Å; V60-M109 HydrophobicContact CG2-SD 4.01Å; V81-M109 HydrophobicContact CG1-CE 4.5Å; M105-M109 HydrophobicContact CB-CE 3.55Å; M109-F111 HydrophobicContact CB-CD2 4.05Å; M109-F111 HydrophobicContact CB-CE2 4.48Å; M109-F111 PolarHBondContact O-N 3.27Å; M109-F111 HydrophobicContact SD-CE2 4.46Å; M109-F145 HydrophobicContact CE-CD2 4.13Å; M109-F145 HydrophobicContact CE-CE2 4.15Å; M109-F145 HydrophobicContact CG-CD2 4.3Å; M109-F145 HydrophobicContact CG-CE2 4.15Å; M109-F145 HydrophobicContact SD-CE2 4.15Å; M109-T148 PolarHBondContact N-OG1 3.09Å; M109-L149 HydrophobicContact CG-CB 4.12Å; M109-L149 HydrophobicContact CG-CD1 4.33Å
110P96.9Very high97.9Very high111 Ų11151.8 Ų51.872%0.72129%0.286SS*.  trans-86.242.2-170.236.6-38.1000113.3
111F98.3Very high97.9Very high46 Ų4649.9 Ų49.920%0.20228%0.276CS..  trans-111.4160.5-176.5-55.4-80.6000112.4L58 V79 V81 L101 M109 F116L58-F111 HydrophobicContact CD1-CD2 4.46Å; L58-F111 HydrophobicContact CD1-CE2 3.58Å; L58-F111 HydrophobicContact CD1-CZ 3.8Å; L58-F111 HydrophobicContact CD2-CD2 4.48Å; L58-F111 HydrophobicContact CD2-CE2 4.2Å; V79-F111 HydrophobicContact CG1-CE1 4.09Å; V79-F111 HydrophobicContact CG1-CZ 3.97Å; V81-F111 HydrophobicContact CG2-CE2 4.08Å; V81-F111 HydrophobicContact CG2-CZ 3.96Å; L101-F111 HydrophobicContact CD1-CE1 3.61Å; L101-F111 HydrophobicContact CD1-CZ 3.46Å; L101-F111 VanDerWaalsContact CD1-CZ 3.46Å; M109-F111 HydrophobicContact CB-CD2 4.05Å; M109-F111 HydrophobicContact CB-CE2 4.48Å; M109-F111 PolarHBondContact O-N 3.27Å; M109-F111 HydrophobicContact SD-CE2 4.46Å; F111-F116 HydrophobicContact CB-CE2 3.81Å; F111-F116 AromaticContact CD1-CE2 3.83Å; F111-F116 HydrophobicContact CD1-CE2 3.83Å; F111-F116 AromaticContact CD1-CZ 3.72Å; F111-F116 HydrophobicContact CD1-CZ 3.72Å; F111-F116 AromaticContact CD2-CE2 3.55Å; F111-F116 HydrophobicContact CD2-CE2 3.55Å; F111-F116 HydrophobicContact CD2-CZ 4.05Å; F111-F116 HydrophobicContact CE1-CE2 4.23Å; F111-F116 AromaticContact CE1-CZ 3.77Å; F111-F116 HydrophobicContact CE1-CZ 3.77Å; F111-F116 AromaticContact CE2-CE2 3.97Å; F111-F116 HydrophobicContact CE2-CE2 3.97Å; F111-F116 HydrophobicContact CE2-CZ 4.1Å; F111-F116 AromaticContact CG-CE2 3.45Å; F111-F116 HydrophobicContact CG-CE2 3.45Å; F111-F116 VanDerWaalsContact CG-CE2 3.45Å; F111-F116 AromaticContact CG-CZ 3.85Å; F111-F116 HydrophobicContact CG-CZ 3.85Å; F111-F116 HydrophobicContact CZ-CE2 4.28Å; F111-F116 AromaticContact CZ-CZ 3.95Å; F111-F116 HydrophobicContact CZ-CZ 3.95Å
112R98.4Very high97.9Very high208 Ų20846.7 Ų46.779%0.78526%0.259SS*.  trans-69.6153.7177-67.5-178.9-180-179.51.9110.2G114 T115R112-G114 PolarHBondContact O-N 3.43Å; R112-T115 WeakPolarHBondContact O-CB 3.44Å; R112-T115 PolarHBondContact O-N 3.48Å; R112-T115 PolarHBondContact O-OG1 2.84Å
113P98.1Very high97.8Very high108 Ų10842.3 Ų42.370%0.70124%0.238SC*.THydrogen-bonded Turntrans-60.8137.7178-24.234.1000113T115 S151P113-T115 VanDerWaalsContact C-N 3.35Å; P113-T115 PolarHBondContact O-N 3.45Å; P113-S151 CarbonylContact C-O 3.59Å; P113-S151 WeakPolarHBondContact CA-O 3.49Å; P113-S151 WeakPolarHBondContact CB-O 3.25Å
114G97.6Very high97.7Very high41 Ų4141.5 Ų41.542%0.42323%0.228SC..THydrogen-bonded Turntrans66.829.3177.600000115.3R112 S151 S152R112-G114 PolarHBondContact O-N 3.43Å; G114-S151 PolarHBondContact N-O 3.14Å; G114-S152 CarbonylContact C-O 3.53Å; G114-S152 PolarHBondContact N-O 2.77Å
115T98.4Very high97.7Very high44 Ų4440.4 Ų40.427%0.2722%0.223SC..  trans-74.6-42.1-179.5-62.50000112.4F56 R112 P113 S152F56-T115 HydrophobicContact CD1-CG2 4.13Å; F56-T115 HydrophobicContact CE1-CG2 3.78Å; R112-T115 WeakPolarHBondContact O-CB 3.44Å; R112-T115 PolarHBondContact O-N 3.48Å; R112-T115 PolarHBondContact O-OG1 2.84Å; P113-T115 VanDerWaalsContact C-N 3.35Å; P113-T115 PolarHBondContact O-N 3.45Å; T115-S152 PolarHBondContact N-O 3.29Å
116F98.6Very high97.6Very high0 Ų039.6 Ų39.60%022%0.219CC..EExtended strand (participates in β ladder)trans-108.2139.5-169.6-58.8-77.3000112.8F56 L58 V79 F111 G118 S152 L153 A154F56-F116 AromaticContact CD1-CD1 3.8Å; F56-F116 HydrophobicContact CD1-CD1 3.8Å; F56-F116 AromaticContact CD1-CE1 3.99Å; F56-F116 HydrophobicContact CD1-CE1 3.99Å; F56-F116 AromaticContact CE1-CD1 3.93Å; F56-F116 HydrophobicContact CE1-CD1 3.93Å; F56-F116 AromaticContact CE1-CE1 3.62Å; F56-F116 HydrophobicContact CE1-CE1 3.62Å; F56-F116 HydrophobicContact CE1-CZ 4.46Å; F56-F116 HydrophobicContact CE2-CE1 4.45Å; F56-F116 HydrophobicContact CG-CD1 4.24Å; F56-F116 HydrophobicContact CZ-CD1 4.48Å; F56-F116 AromaticContact CZ-CE1 3.9Å; F56-F116 HydrophobicContact CZ-CE1 3.9Å; F56-F116 CarbonylContact O-C 3.6Å; F56-F116 WeakPolarHBondContact O-CA 3.35Å; L58-F116 HydrophobicContact CB-CB 4.44Å; L58-F116 HydrophobicContact CB-CD1 3.85Å; L58-F116 HydrophobicContact CB-CD2 3.89Å; L58-F116 HydrophobicContact CB-CE1 3.97Å; L58-F116 HydrophobicContact CB-CE2 4.01Å; L58-F116 HydrophobicContact CB-CG 3.8Å; L58-F116 HydrophobicContact CB-CZ 4.05Å; L58-F116 HydrophobicContact CD1-CE1 4.31Å; L58-F116 HydrophobicContact CD1-CE2 4.05Å; L58-F116 HydrophobicContact CD1-CZ 3.8Å; L58-F116 HydrophobicContact CD2-CD2 4.22Å; L58-F116 HydrophobicContact CD2-CE2 4.05Å; L58-F116 HydrophobicContact CG-CE2 4.26Å; L58-F116 HydrophobicContact CG-CZ 4.36Å; V79-F116 HydrophobicContact CB-CE1 4.16Å; V79-F116 HydrophobicContact CB-CZ 4.34Å; V79-F116 HydrophobicContact CG2-CE1 4.11Å; V79-F116 HydrophobicContact CG2-CZ 4.44Å; F111-F116 HydrophobicContact CB-CE2 3.81Å; F111-F116 AromaticContact CD1-CE2 3.83Å; F111-F116 HydrophobicContact CD1-CE2 3.83Å; F111-F116 AromaticContact CD1-CZ 3.72Å; F111-F116 HydrophobicContact CD1-CZ 3.72Å; F111-F116 AromaticContact CD2-CE2 3.55Å; F111-F116 HydrophobicContact CD2-CE2 3.55Å; F111-F116 HydrophobicContact CD2-CZ 4.05Å; F111-F116 HydrophobicContact CE1-CE2 4.23Å; F111-F116 AromaticContact CE1-CZ 3.77Å; F111-F116 HydrophobicContact CE1-CZ 3.77Å; F111-F116 AromaticContact CE2-CE2 3.97Å; F111-F116 HydrophobicContact CE2-CE2 3.97Å; F111-F116 HydrophobicContact CE2-CZ 4.1Å; F111-F116 AromaticContact CG-CE2 3.45Å; F111-F116 HydrophobicContact CG-CE2 3.45Å; F111-F116 VanDerWaalsContact CG-CE2 3.45Å; F111-F116 AromaticContact CG-CZ 3.85Å; F111-F116 HydrophobicContact CG-CZ 3.85Å; F111-F116 HydrophobicContact CZ-CE2 4.28Å; F111-F116 AromaticContact CZ-CZ 3.95Å; F111-F116 HydrophobicContact CZ-CZ 3.95Å; F116-G118 VanDerWaalsContact C-N 3.31Å; F116-S152 PolarHBondContact N-O 2.93Å; F116-S152 VanDerWaalsContact N-O 3.08Å; F116-L153 HydrophobicContact CB-CD2 4.14Å; F116-A154 PolarHBondContact O-N 2.89Å
117D98.3Very high97.5Very high65 Ų6540.4 Ų40.435%0.34822%0.22SC..EExtended strand (participates in β ladder)trans-77.2-19.7176-62.2-51.6000112.4C55 F56 S157C55-D117 HydrophobicContact CB-CB 3.97Å; F56-D117 PolarHBondContact N-OD2 3.43Å; F56-D117 PolarHBondContact O-N 2.91Å; D117-S157 VanDerWaalsContact C-OG 3.29Å; D117-S157 WeakPolarHBondContact O-CB 3.49Å; D117-S157 PolarHBondContact O-OG 3.32Å
118G98.3Very high97.4Very high0 Ų033.6 Ų33.60%019%0.189CC..EExtended strand (participates in β ladder)trans-167170.6175.700000112.3L57 L58 F116 R158L57-G118 WeakPolarHBondContact CA-O 3.12Å; L58-G118 PolarHBondContact N-O 3.26Å; F116-G118 VanDerWaalsContact C-N 3.31Å; G118-R158 VanDerWaalsContact CA-O 3.25Å; G118-R158 WeakPolarHBondContact CA-O 3.35Å
119C98.8Very high97.1Very high0 Ų034.1 Ų34.10%019%0.19CC..EExtended strand (participates in β ladder)trans-139.4135.4174.9169.40000110.6L58 L149 L153 R158 A159 V160L58-C119 HydrophobicContact CB-CB 4.25Å; L58-C119 CarbonylContact O-C 3.53Å; L58-C119 VanDerWaalsContact O-CA 3.22Å; L58-C119 WeakPolarHBondContact O-CA 3.39Å; L58-C119 PolarHBondContact O-SG 2.77Å; C119-L149 HydrophobicContact CB-CD1 4.12Å; C119-L153 HydrophobicContact CB-CD2 3.94Å; C119-R158 PolarHBondContact N-O 2.64Å; C119-R158 VanDerWaalsContact N-O 3.08Å; C119-A159 HydrophobicContact CB-CB 3.95Å; C119-A159 CarbonylContact O-C 3.55Å; C119-A159 VanDerWaalsContact O-CA 3.24Å; C119-A159 WeakPolarHBondContact O-CA 3.24Å; C119-V160 PolarHBondContact O-N 2.91Å
120I98.8Very high96.7Very high0 Ų035 Ų350%019%0.194CC..EExtended strand (participates in β ladder)trans-114.7159.4166.265165.5000110.5A43 L47 L58 D59 V60 L71 V160A43-I120 HydrophobicContact CB-CG2 4.18Å; L47-I120 HydrophobicContact CD1-CG2 3.43Å; L47-I120 VanDerWaalsContact CD1-CG2 3.43Å; L47-I120 HydrophobicContact CG-CG2 4.08Å; L58-I120 PolarHBondContact O-N 3.48Å; D59-I120 HydrophobicContact CB-CG1 4.22Å; V60-I120 PolarHBondContact N-O 3.31Å; L71-I120 HydrophobicContact CD1-CD1 3.89Å; L71-I120 HydrophobicContact CD1-CG1 4.19Å; L71-I120 HydrophobicContact CD2-CD1 3.84Å; L71-I120 HydrophobicContact CG-CD1 4Å; I120-V160 CarbonylContact C-O 3.57Å; I120-V160 WeakPolarHBondContact CA-O 3.36Å
121S98.6Very high96.2Very high0 Ų032.7 Ų32.70%019%0.185CC..EExtended strand (participates in β ladder)trans-155.4119.3169.4-179.40000108.5V60 V160 F161 Q162V60-S121 WeakPolarHBondContact O-CA 3.38Å; V60-S121 WeakPolarHBondContact O-CB 3.22Å; V60-S121 PolarHBondContact O-OG 2.93Å; S121-V160 PolarHBondContact N-O 2.89Å; S121-F161 CarbonylContact O-C 3.57Å; S121-F161 WeakPolarHBondContact O-CA 3.35Å; S121-Q162 PolarHBondContact O-N 3.28Å
122I98.3Very high95.5Very high5 Ų533.4 Ų33.43%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-110.9115.7-174.5-52.1-58000109.6M39 A43 A124 Q162M39-I122 HydrophobicContact CB-CG2 3.86Å; M39-I122 HydrophobicContact CE-CG2 3.72Å; A43-I122 HydrophobicContact CB-CD1 3.66Å; I122-A124 VanDerWaalsContact C-N 3.27Å; I122-A124 PolarHBondContact O-N 2.72Å; I122-Q162 HydrophobicContact CD1-CB 3.95Å; I122-Q162 HydrophobicContact CG2-CB 4.48Å
123S95.9Very high94.9Very high17 Ų1728.8 Ų28.812%0.11918%0.177CC..SBendtrans60.827.2175.6-60.80000115.3Q126 Q162 Y164S123-Q126 PolarHBondContact O-NE2 3.04Å; S123-Q126 PolarHBondContact O-OE1 2.7Å; S123-Q162 PolarHBondContact N-O 2.9Å; S123-Q162 PolarHBondContact OG-OE1 3.29Å; S123-Y164 WeakPolarHBondContact OG-CE2 3.27Å
124A96.7Very high94.2Very high8 Ų836.2 Ų36.27%0.06619%0.191CC..  trans-117.2-35.1-175.500000115.2M105 I122 Q126 W127M105-A124 HydrophobicContact CE-CB 3.82Å; I122-A124 VanDerWaalsContact C-N 3.27Å; I122-A124 PolarHBondContact O-N 2.72Å; A124-Q126 VanDerWaalsContact C-N 3.25Å; A124-Q126 PolarHBondContact O-N 3.3Å; A124-Q126 VanDerWaalsContact O-N 3.13Å; A124-W127 WeakPolarHBondContact O-CB 3.38Å; A124-W127 PolarHBondContact O-N 3.2Å; A124-W127 VanDerWaalsContact O-N 3.17Å
125L96.1Very high93.7Very high0 Ų039 Ų390%020%0.204CC..G310 helixtrans-62.5-29.5-169.8-172.664.7000114W127 L128 L142 F145 F146 F161 I174 L202L125-W127 PolarHBondContact O-N 2.56Å; L125-L128 HydrophobicContact CD1-CD1 4.1Å; L125-L128 PolarHBondContact O-N 2.88Å; L125-L128 VanDerWaalsContact O-N 3.12Å; L125-L142 HydrophobicContact CD1-CD2 4.22Å; L125-F145 HydrophobicContact CD1-CD1 3.78Å; L125-F145 HydrophobicContact CD1-CE1 3.53Å; L125-F145 HydrophobicContact CD1-CZ 4.41Å; L125-F146 HydrophobicContact CD1-CZ 4.36Å; L125-F146 HydrophobicContact CD2-CZ 3.94Å; L125-F161 HydrophobicContact CB-CD1 4.3Å; L125-F161 HydrophobicContact CD1-CD1 4.4Å; L125-F161 HydrophobicContact CD2-CB 3.92Å; L125-F161 HydrophobicContact CD2-CD1 3.87Å; L125-F161 HydrophobicContact CD2-CG 3.85Å; L125-F161 HydrophobicContact CG-CD1 4.43Å; L125-I174 HydrophobicContact CD2-CG2 3.65Å; L125-L202 HydrophobicContact CD2-CD2 4.38Å
126Q94.8Very high93.4Very high6 Ų638.4 Ų38.43%0.02820%0.198CC..G310 helixtrans-62.5-24.3-17972.7-77.5-1.200113.1E9 S123 A124 L128 C129E9-Q126 HydrophobicContact CG-CG 4.24Å; E9-Q126 WeakPolarHBondContact OE1-CG 3.38Å; E9-Q126 PolarHBondContact OE1-NE2 2.78Å; S123-Q126 PolarHBondContact O-NE2 3.04Å; S123-Q126 PolarHBondContact O-OE1 2.7Å; A124-Q126 VanDerWaalsContact C-N 3.25Å; A124-Q126 PolarHBondContact O-N 3.3Å; A124-Q126 VanDerWaalsContact O-N 3.13Å; Q126-L128 PolarHBondContact O-N 2.88Å; Q126-C129 VanDerWaalsContact O-CB 3.26Å; Q126-C129 WeakPolarHBondContact O-CB 3.4Å; Q126-C129 PolarHBondContact O-N 3.41Å
127W94.4Very high93.3Very high23 Ų2340.3 Ų40.39%0.08721%0.211CC..G310 helixtrans-61.8-28.2176-70100000112.9P8 E9 A12 P14 F17 Y18 A124 L125 C129 N130P8-W127 HydrophobicContact CB-CH2 3.68Å; P8-W127 HydrophobicContact CB-CZ2 3.72Å; E9-W127 HydrophobicContact CG-CD2 4.19Å; E9-W127 HydrophobicContact CG-CE3 4.16Å; E9-W127 HydrophobicContact CG-CZ3 4.37Å; A12-W127 WeakPolarHBondContact O-CZ3 3.48Å; P14-W127 HydrophobicContact CB-CD2 3.8Å; P14-W127 HydrophobicContact CB-CE3 3.73Å; P14-W127 HydrophobicContact CB-CG 4.31Å; P14-W127 HydrophobicContact CB-CH2 4.26Å; P14-W127 HydrophobicContact CB-CZ2 4.35Å; P14-W127 HydrophobicContact CB-CZ3 3.96Å; P14-W127 HydrophobicContact CG-CB 4.48Å; P14-W127 HydrophobicContact CG-CD2 4.16Å; P14-W127 HydrophobicContact CG-CE3 3.87Å; P14-W127 HydrophobicContact CG-CG 4.45Å; P14-W127 HydrophobicContact CG-CZ3 4.38Å; F17-W127 HydrophobicContact CB-CH2 4.23Å; F17-W127 HydrophobicContact CD1-CH2 4.4Å; F17-W127 HydrophobicContact CG-CH2 4.29Å; Y18-W127 AromaticContact CE2-CZ2 3.84Å; Y18-W127 HydrophobicContact CE2-CZ2 3.84Å; A124-W127 WeakPolarHBondContact O-CB 3.38Å; A124-W127 PolarHBondContact O-N 3.2Å; A124-W127 VanDerWaalsContact O-N 3.17Å; L125-W127 PolarHBondContact O-N 2.56Å; W127-C129 PolarHBondContact O-N 2.71Å; W127-N130 PolarHBondContact O-N 3.41Å
128L94.9Very high93.1Very high3 Ų338.2 Ų38.22%0.01620%0.201CC..G310 helixtrans-70.1-10.3175.8-68.1-169.8000114.1M105 L125 Q126 N130 P138 R141 L142 F145M105-L128 HydrophobicContact CG-CD1 3.93Å; M105-L128 HydrophobicContact CG-CD2 3.86Å; M105-L128 HydrophobicContact CG-CG 4.01Å; M105-L128 HydrophobicContact SD-CD1 3.95Å; M105-L128 HydrophobicContact SD-CD2 4.45Å; M105-L128 HydrophobicContact SD-CG 4Å; L125-L128 HydrophobicContact CD1-CD1 4.1Å; L125-L128 PolarHBondContact O-N 2.88Å; L125-L128 VanDerWaalsContact O-N 3.12Å; Q126-L128 PolarHBondContact O-N 2.88Å; L128-N130 VanDerWaalsContact C-N 3.32Å; L128-P138 WeakPolarHBondContact O-CB 3.18Å; L128-R141 VanDerWaalsContact CD2-NH2 3.32Å; L128-L142 HydrophobicContact CB-CD2 3.76Å; L128-L142 HydrophobicContact CB-CG 4.1Å; L128-L142 HydrophobicContact CD1-CD2 4Å; L128-F145 HydrophobicContact CD1-CB 3.84Å; L128-F145 HydrophobicContact CD1-CD1 4.12Å; L128-F145 HydrophobicContact CD1-CG 3.95Å
129C92.2Very high93.1Very high22 Ų2240.7 Ų40.715%0.14922%0.217CC..G310 helixtrans-83.2-12.9177.8-59.10000112.7Q126 W127 P138 Q170Q126-C129 VanDerWaalsContact O-CB 3.26Å; Q126-C129 WeakPolarHBondContact O-CB 3.4Å; Q126-C129 PolarHBondContact O-N 3.41Å; W127-C129 PolarHBondContact O-N 2.71Å; C129-P138 VanDerWaalsContact O-CG 3.29Å; C129-P138 WeakPolarHBondContact O-CG 3.41Å; C129-Q170 HydrophobicContact CB-CG 3.74Å; C129-Q170 WeakPolarHBondContact SG-CG 3.41Å; C129-Q170 PolarHBondContact SG-NE2 3.29Å
130N87.9Confident93Very high27 Ų2747.8 Ų47.814%0.14425%0.248CC..  trans-90.6145.5178.8-59.5-24.8000111.8E9 W127 L128E9-N130 WeakPolarHBondContact CB-ND2 3.47Å; E9-N130 PolarHBondContact O-ND2 3.48Å; W127-N130 PolarHBondContact O-N 3.41Å; L128-N130 VanDerWaalsContact C-N 3.32Å
131A87.6Confident93Very high64 Ų6449.3 Ų49.353%0.52925%0.254SS..  trans-106.566.5176.800000111K133 H136 P138A131-K133 VanDerWaalsContact C-N 3.31Å; A131-K133 PolarHBondContact O-N 3.48Å; A131-H136 HydrophobicContact CB-CB 4.21Å; A131-P138 HydrophobicContact CB-CG 4.24Å
132D83.9Confident92.9Very high60 Ų6049.3 Ų49.332%0.32125%0.254SS..  trans-64.7-29.9-175.8-65-32.6000114.8P13 H136P13-D132 HydrophobicContact CB-CB 4.18Å; P13-D132 HydrophobicContact CG-CB 3.78Å; D132-H136 PolarHBondContact N-ND1 3.05Å
133K85.1Confident93Very high111 Ų11153 Ų5348%0.48327%0.268SS..SBendtrans-115151.7176.8-56.2178.5-174.5167.50109.3A131 S135 H136A131-K133 VanDerWaalsContact C-N 3.31Å; A131-K133 PolarHBondContact O-N 3.48Å; K133-S135 PolarHBondContact O-N 3.06Å; K133-S135 VanDerWaalsContact O-N 3.07Å; K133-H136 PolarHBondContact N-ND1 3Å; K133-H136 VanDerWaalsContact O-CB 3.26Å; K133-H136 WeakPolarHBondContact O-CB 3.29Å; K133-H136 PolarHBondContact O-N 2.65Å
134R83.3Confident93.1Very high265 Ų26554.6 Ų54.6100%128%0.277SS*.THydrogen-bonded Turntrans-57-27.1177-70.7-175.2177.8-175.4-0.1113.7H136R134-H136 VanDerWaalsContact C-N 3.33Å
135S87.8Confident93.2Very high100 Ų10054.2 Ų54.270%0.69927%0.274SS*.THydrogen-bonded Turntrans-80-13176.353.30000113.5K133 S137K133-S135 PolarHBondContact O-N 3.06Å; K133-S135 VanDerWaalsContact O-N 3.07Å; S135-S137 PolarHBondContact O-N 2.72Å
136H91.3Very high93.3Very high31 Ų3154.2 Ų54.214%0.14427%0.274CS..  trans-74.5122-178.1-69.1-173.8000110.5A131 D132 K133 R134 R141A131-H136 HydrophobicContact CB-CB 4.21Å; D132-H136 PolarHBondContact N-ND1 3.05Å; K133-H136 PolarHBondContact N-ND1 3Å; K133-H136 VanDerWaalsContact O-CB 3.26Å; K133-H136 WeakPolarHBondContact O-CB 3.29Å; K133-H136 PolarHBondContact O-N 2.65Å; R134-H136 VanDerWaalsContact C-N 3.33Å; H136-R141 PolarHBondContact CE1-NH1 2.92Å; H136-R141 VanDerWaalsContact CE1-NH1 3.28Å; H136-R141 PolarHBondContact NE2-NH1 2.93Å
137S95.8Very high93.5Very high39 Ų3955.5 Ų55.527%0.27328%0.284SS..  trans-118.2106.3165.7176.40000107.1S135 P139 K140 R141S135-S137 PolarHBondContact O-N 2.72Å; S137-P139 VanDerWaalsContact C-CD 3.49Å; S137-P139 VanDerWaalsContact C-N 3.34Å; S137-K140 PolarHBondContact O-N 2.98Å; S137-R141 PolarHBondContact O-N 2.81Å
138P95.4Very high93.7Very high22 Ų2256.3 Ų56.314%0.14329%0.291CS..Hα-helixtrans-51-44.8-178.1-28.634.8000114.1L128 C129 A131 K140 R141 L142 L173L128-P138 WeakPolarHBondContact O-CB 3.18Å; C129-P138 VanDerWaalsContact O-CG 3.29Å; C129-P138 WeakPolarHBondContact O-CG 3.41Å; A131-P138 HydrophobicContact CB-CG 4.24Å; P138-K140 VanDerWaalsContact C-N 3.32Å; P138-K140 PolarHBondContact O-N 3.33Å; P138-R141 PolarHBondContact O-N 3.11Å; P138-L142 WeakPolarHBondContact O-CB 3.48Å; P138-L142 WeakPolarHBondContact O-CG 3.26Å; P138-L142 PolarHBondContact O-N 3.05Å; P138-L173 HydrophobicContact CB-CD2 4.44Å
139P97Very high93.8Very high52 Ų5256.1 Ų56.134%0.33829%0.29SS..Hα-helixtrans-60.1-38.3175.8-2333.5000113.6S137 Y143 L173S137-P139 VanDerWaalsContact C-CD 3.49Å; S137-P139 VanDerWaalsContact C-N 3.34Å; P139-Y143 VanDerWaalsContact O-CB 3.29Å; P139-Y143 WeakPolarHBondContact O-CB 3.35Å; P139-Y143 PolarHBondContact O-N 3.41Å; P139-L173 HydrophobicContact CB-CD1 4.05Å; P139-L173 HydrophobicContact CG-CD1 3.93Å; P139-L173 HydrophobicContact CG-CD2 4.39Å
140K97.2Very high94.1Very high148 Ų14858.4 Ų58.464%0.64330%0.296SS*.Hα-helixtrans-72-42.5178.7-66-177.2-176.41760111.8S137 P138 Y143 T144S137-K140 PolarHBondContact O-N 2.98Å; P138-K140 VanDerWaalsContact C-N 3.32Å; P138-K140 PolarHBondContact O-N 3.33Å; K140-Y143 PolarHBondContact O-N 3.08Å; K140-T144 WeakPolarHBondContact O-CB 3.38Å; K140-T144 PolarHBondContact O-N 3.4Å; K140-T144 PolarHBondContact O-OG1 3.4Å
141R97.8Very high94.6Very high32 Ų3260.1 Ų60.112%0.12131%0.31CS..Hα-helixtrans-62.8-47.8177.7-74.2176.358.897.813.1110.6D104 L128 H136 S137 P138 Y143 T144 F145D104-R141 VanDerWaalsContact CG-NH2 3.35Å; D104-R141 IonicContact OD1-CZ 2.88Å; D104-R141 IonicContact OD1-NH1 3.65Å; D104-R141 IonicContact OD1-NH2 3.92Å; D104-R141 PolarHBondContact OD1-NH2 2.82Å; D104-R141 IonicContact OD2-CZ 2.85Å; D104-R141 IonicContact OD2-NH1 3.75Å; D104-R141 PolarHBondContact OD2-NH1 3.29Å; D104-R141 IonicContact OD2-NH2 2.91Å; D104-R141 PolarHBondContact OD2-NH2 3.42Å; L128-R141 VanDerWaalsContact CD2-NH2 3.32Å; H136-R141 PolarHBondContact CE1-NH1 2.92Å; H136-R141 VanDerWaalsContact CE1-NH1 3.28Å; H136-R141 PolarHBondContact NE2-NH1 2.93Å; S137-R141 PolarHBondContact O-N 2.81Å; P138-R141 PolarHBondContact O-N 3.11Å; R141-Y143 PolarHBondContact O-N 2.87Å; R141-T144 PolarHBondContact O-N 3.12Å; R141-F145 WeakPolarHBondContact O-CB 3.34Å; R141-F145 PolarHBondContact O-N 3.4Å
142L98.4Very high95.1Very high0 Ų057.1 Ų57.10%029%0.285CS..Hα-helixtrans-59.5-45.7174.4-75.6167000112.3L125 L128 P138 T144 F145 F146 L173 I174 Q177L125-L142 HydrophobicContact CD1-CD2 4.22Å; L128-L142 HydrophobicContact CB-CD2 3.76Å; L128-L142 HydrophobicContact CB-CG 4.1Å; L128-L142 HydrophobicContact CD1-CD2 4Å; P138-L142 WeakPolarHBondContact O-CB 3.48Å; P138-L142 WeakPolarHBondContact O-CG 3.26Å; P138-L142 PolarHBondContact O-N 3.05Å; L142-T144 PolarHBondContact O-N 2.97Å; L142-F145 PolarHBondContact O-N 2.96Å; L142-F146 HydrophobicContact CD2-CE2 4.14Å; L142-F146 WeakPolarHBondContact O-CD2 3.19Å; L142-F146 PolarHBondContact O-N 3.29Å; L142-L173 HydrophobicContact CD1-CD2 3.97Å; L142-L173 HydrophobicContact CD1-CG 3.8Å; L142-I174 HydrophobicContact CD1-CG1 4.1Å; L142-I174 HydrophobicContact CD2-CG1 4.15Å; L142-Q177 HydrophobicContact CB-CB 3.92Å; L142-Q177 HydrophobicContact CB-CG 3.81Å
143Y98.5Very high95.8Very high82 Ų8254.6 Ų54.632%0.32227%0.272SS..Hα-helixtrans-63.7-41.1177.5-177.8-108.8000112.5P139 K140 R141 S147 R180 A181P139-Y143 VanDerWaalsContact O-CB 3.29Å; P139-Y143 WeakPolarHBondContact O-CB 3.35Å; P139-Y143 PolarHBondContact O-N 3.41Å; K140-Y143 PolarHBondContact O-N 3.08Å; R141-Y143 PolarHBondContact O-N 2.87Å; Y143-S147 VanDerWaalsContact O-CB 3.24Å; Y143-S147 WeakPolarHBondContact O-CB 3.33Å; Y143-S147 PolarHBondContact O-N 3.28Å; Y143-S147 PolarHBondContact O-OG 2.85Å; Y143-R180 HydrophobicContact CD2-CB 4.41Å; Y143-R180 HydrophobicContact CD2-CG 4.15Å; Y143-R180 HydrophobicContact CE2-CB 4.33Å; Y143-R180 HydrophobicContact CE2-CG 3.79Å; Y143-A181 HydrophobicContact CE2-CB 4.49Å
144T98.5Very high96.4Very high51 Ų5150.3 Ų50.331%0.31326%0.258SS..Hα-helixtrans-63.4-46.3177.2-55.20000110.6K140 R141 L142 S147 T148K140-T144 WeakPolarHBondContact O-CB 3.38Å; K140-T144 PolarHBondContact O-N 3.4Å; K140-T144 PolarHBondContact O-OG1 3.4Å; R141-T144 PolarHBondContact O-N 3.12Å; L142-T144 PolarHBondContact O-N 2.97Å; T144-S147 PolarHBondContact O-OG 2.69Å; T144-S147 VanDerWaalsContact O-OG 3.08Å; T144-T148 WeakPolarHBondContact O-CB 3.4Å; T144-T148 WeakPolarHBondContact O-CG2 3.31Å; T144-T148 PolarHBondContact O-N 2.94Å; T144-T148 VanDerWaalsContact O-N 3.16Å; T144-T148 PolarHBondContact O-OG1 3.1Å
145F98.6Very high96.9Very high0 Ų048.9 Ų48.90%025%0.252CS..Hα-helixtrans-55.4-58.5174.1171.4-113.6000111.7V60 M105 M109 L125 L128 R141 L142 S147 T148 L149 F161V60-F145 HydrophobicContact CG1-CE2 3.81Å; V60-F145 HydrophobicContact CG1-CZ 4.07Å; V60-F145 HydrophobicContact CG2-CE2 4.27Å; V60-F145 HydrophobicContact CG2-CZ 4.45Å; M105-F145 HydrophobicContact CB-CD2 3.96Å; M105-F145 HydrophobicContact CB-CE2 4.16Å; M105-F145 HydrophobicContact CG-CD2 4.44Å; M105-F145 WeakPolarHBondContact O-CB 3.35Å; M105-F145 WeakPolarHBondContact O-CD2 3.47Å; M109-F145 HydrophobicContact CE-CD2 4.13Å; M109-F145 HydrophobicContact CE-CE2 4.15Å; M109-F145 HydrophobicContact CG-CD2 4.3Å; M109-F145 HydrophobicContact CG-CE2 4.15Å; M109-F145 HydrophobicContact SD-CE2 4.15Å; L125-F145 HydrophobicContact CD1-CD1 3.78Å; L125-F145 HydrophobicContact CD1-CE1 3.53Å; L125-F145 HydrophobicContact CD1-CZ 4.41Å; L128-F145 HydrophobicContact CD1-CB 3.84Å; L128-F145 HydrophobicContact CD1-CD1 4.12Å; L128-F145 HydrophobicContact CD1-CG 3.95Å; R141-F145 WeakPolarHBondContact O-CB 3.34Å; R141-F145 PolarHBondContact O-N 3.4Å; L142-F145 PolarHBondContact O-N 2.96Å; F145-S147 PolarHBondContact O-N 2.95Å; F145-T148 PolarHBondContact O-N 2.88Å; F145-T148 PolarHBondContact O-OG1 3.35Å; F145-T148 VanDerWaalsContact O-OG1 3.06Å; F145-L149 HydrophobicContact CE1-CD2 4.24Å; F145-L149 HydrophobicContact CE2-CB 4.48Å; F145-L149 HydrophobicContact CE2-CD2 4.39Å; F145-L149 HydrophobicContact CZ-CD2 3.81Å; F145-L149 VanDerWaalsContact O-CB 3.24Å; F145-L149 WeakPolarHBondContact O-CB 3.4Å; F145-L149 PolarHBondContact O-N 3Å; F145-F161 AromaticContact CE1-CE1 3.76Å; F145-F161 HydrophobicContact CE1-CE1 3.76Å; F145-F161 HydrophobicContact CE1-CZ 4.08Å; F145-F161 AromaticContact CZ-CE1 3.62Å; F145-F161 HydrophobicContact CZ-CE1 3.62Å; F145-F161 HydrophobicContact CZ-CZ 4.05Å
146F98.7Very high97.1Very high0 Ų046.8 Ų46.80%025%0.246CC..Hα-helixtrans-65.9-37.5-176.3-74.3-59.6000113.2L125 L142 Y150 F161 I174 Q177 A178 A181 F183 L202 L204L125-F146 HydrophobicContact CD1-CZ 4.36Å; L125-F146 HydrophobicContact CD2-CZ 3.94Å; L142-F146 HydrophobicContact CD2-CE2 4.14Å; L142-F146 WeakPolarHBondContact O-CD2 3.19Å; L142-F146 PolarHBondContact O-N 3.29Å; F146-Y150 WeakPolarHBondContact O-CB 3.46Å; F146-Y150 PolarHBondContact O-N 2.97Å; F146-F161 HydrophobicContact CE1-CE2 4.14Å; F146-F161 HydrophobicContact CE1-CZ 4.28Å; F146-I174 HydrophobicContact CE2-CG2 4.06Å; F146-I174 WeakPolarHBondContact CE2-O 3.41Å; F146-I174 HydrophobicContact CZ-CG2 3.89Å; F146-Q177 HydrophobicContact CD2-CB 4.07Å; F146-Q177 HydrophobicContact CE2-CB 4.46Å; F146-A178 HydrophobicContact CD1-CB 4.03Å; F146-A178 HydrophobicContact CD2-CB 3.96Å; F146-A178 HydrophobicContact CE1-CB 3.93Å; F146-A178 HydrophobicContact CE2-CB 3.85Å; F146-A178 HydrophobicContact CG-CB 4.05Å; F146-A178 HydrophobicContact CZ-CB 3.83Å; F146-A181 HydrophobicContact CB-CB 3.55Å; F146-F183 HydrophobicContact CB-CD2 4.37Å; F146-F183 HydrophobicContact CB-CE2 4.1Å; F146-F183 HydrophobicContact CD1-CD2 4.23Å; F146-F183 AromaticContact CD1-CE2 3.92Å; F146-F183 HydrophobicContact CD1-CE2 3.92Å; F146-F183 HydrophobicContact CG-CE2 4.46Å; F146-F183 WeakPolarHBondContact O-CE2 3.26Å; F146-L202 HydrophobicContact CZ-CD2 4.16Å; F146-L204 HydrophobicContact CD1-CD1 4.06Å; F146-L204 HydrophobicContact CE1-CD1 3.63Å; F146-L204 HydrophobicContact CZ-CD1 4.42Å
147S98.4Very high97.3Very high33 Ų3345.9 Ų45.923%0.23124%0.243CC..Hα-helixtrans-66.5-40.9179.955.30000113Y143 T144 F145 S151Y143-S147 VanDerWaalsContact O-CB 3.24Å; Y143-S147 WeakPolarHBondContact O-CB 3.33Å; Y143-S147 PolarHBondContact O-N 3.28Å; Y143-S147 PolarHBondContact O-OG 2.85Å; T144-S147 PolarHBondContact O-OG 2.69Å; T144-S147 VanDerWaalsContact O-OG 3.08Å; F145-S147 PolarHBondContact O-N 2.95Å; S147-S151 PolarHBondContact O-N 3.03Å; S147-S151 PolarHBondContact O-OG 3.13Å
148T98.6Very high97.4Very high40 Ų4047.8 Ų47.825%0.24525%0.245CC..Hα-helixtrans-75.2-37.6177.554.10000111.9G108 M109 T144 F145 S151 S152G108-T148 WeakPolarHBondContact CA-OG1 3.42Å; M109-T148 PolarHBondContact N-OG1 3.09Å; T144-T148 WeakPolarHBondContact O-CB 3.4Å; T144-T148 WeakPolarHBondContact O-CG2 3.31Å; T144-T148 PolarHBondContact O-N 2.94Å; T144-T148 VanDerWaalsContact O-N 3.16Å; T144-T148 PolarHBondContact O-OG1 3.1Å; F145-T148 PolarHBondContact O-N 2.88Å; F145-T148 PolarHBondContact O-OG1 3.35Å; F145-T148 VanDerWaalsContact O-OG1 3.06Å; T148-S151 PolarHBondContact O-N 3.47Å; T148-S152 PolarHBondContact O-N 3.45Å; T148-S152 PolarHBondContact O-OG 3.14Å
149L98.6Very high97.5Very high0 Ų046.8 Ų46.80%024%0.238CC..Hα-helixtrans-61.7-48.1171.5178.166.5000111.6L58 M109 C119 F145 S151 S152 L153 A159 F161 F183L58-L149 HydrophobicContact CD2-CD1 3.68Å; M109-L149 HydrophobicContact CG-CB 4.12Å; M109-L149 HydrophobicContact CG-CD1 4.33Å; C119-L149 HydrophobicContact CB-CD1 4.12Å; F145-L149 HydrophobicContact CE1-CD2 4.24Å; F145-L149 HydrophobicContact CE2-CB 4.48Å; F145-L149 HydrophobicContact CE2-CD2 4.39Å; F145-L149 HydrophobicContact CZ-CD2 3.81Å; F145-L149 VanDerWaalsContact O-CB 3.24Å; F145-L149 WeakPolarHBondContact O-CB 3.4Å; F145-L149 PolarHBondContact O-N 3Å; L149-S151 PolarHBondContact O-N 2.98Å; L149-S152 WeakPolarHBondContact O-CA 3.35Å; L149-S152 WeakPolarHBondContact O-CB 3.48Å; L149-S152 PolarHBondContact O-N 2.92Å; L149-L153 HydrophobicContact CD1-CD1 4.22Å; L149-L153 HydrophobicContact CD1-CG 4.2Å; L149-L153 HydrophobicContact CD2-CD1 4.45Å; L149-L153 HydrophobicContact CG-CD1 3.96Å; L149-L153 HydrophobicContact CG-CG 4.37Å; L149-L153 WeakPolarHBondContact O-CG 3.41Å; L149-L153 PolarHBondContact O-N 3.41Å; L149-A159 HydrophobicContact CD2-CB 4.38Å; L149-F161 HydrophobicContact CD2-CE1 4.33Å; L149-F161 HydrophobicContact CD2-CE2 4.39Å; L149-F161 HydrophobicContact CD2-CZ 3.51Å; L149-F183 HydrophobicContact CD2-CZ 4.11Å; L149-F183 HydrophobicContact CG-CZ 4.16Å
150Y98.4Very high97.6Very high69 Ų6944.3 Ų44.327%0.27122%0.222SC..Hα-helixtrans-54.4-40.8177.9-175.2-87.9000111.5F146 G182 F183 A206 G207F146-Y150 WeakPolarHBondContact O-CB 3.46Å; F146-Y150 PolarHBondContact O-N 2.97Å; Y150-G182 WeakPolarHBondContact CE2-O 3.49Å; Y150-G182 PolarHBondContact OH-O 3.41Å; Y150-F183 AromaticContact CD2-CD1 3.81Å; Y150-F183 HydrophobicContact CD2-CD1 3.81Å; Y150-F183 AromaticContact CD2-CD2 3.89Å; Y150-F183 HydrophobicContact CD2-CD2 3.89Å; Y150-F183 AromaticContact CD2-CE1 3.85Å; Y150-F183 HydrophobicContact CD2-CE1 3.85Å; Y150-F183 AromaticContact CD2-CE2 3.92Å; Y150-F183 HydrophobicContact CD2-CE2 3.92Å; Y150-F183 AromaticContact CD2-CG 3.84Å; Y150-F183 HydrophobicContact CD2-CG 3.84Å; Y150-F183 AromaticContact CD2-CZ 3.9Å; Y150-F183 HydrophobicContact CD2-CZ 3.9Å; Y150-F183 HydrophobicContact CE2-CD1 4.37Å; Y150-F183 HydrophobicContact CE2-CG 4.45Å; Y150-F183 HydrophobicContact CG-CE2 4.31Å; Y150-F183 HydrophobicContact CG-CZ 4.33Å; Y150-A206 HydrophobicContact CD2-CB 4.33Å; Y150-A206 HydrophobicContact CE2-CB 4.3Å; Y150-G207 WeakPolarHBondContact OH-CA 3.44Å; Y150-G207 PolarHBondContact OH-N 3.48Å
151S97.8Very high97.7Very high63 Ų6337.3 Ų37.344%0.44119%0.191SC..Hα-helixtrans-66.1-40.2176.8-57.70000111.5P113 G114 S147 T148 L149 L153P113-S151 CarbonylContact C-O 3.59Å; P113-S151 WeakPolarHBondContact CA-O 3.49Å; P113-S151 WeakPolarHBondContact CB-O 3.25Å; G114-S151 PolarHBondContact N-O 3.14Å; S147-S151 PolarHBondContact O-N 3.03Å; S147-S151 PolarHBondContact O-OG 3.13Å; T148-S151 PolarHBondContact O-N 3.47Å; L149-S151 PolarHBondContact O-N 2.98Å; S151-L153 VanDerWaalsContact C-N 3.31Å; S151-L153 PolarHBondContact O-N 3.48Å
152S98.3Very high97.7Very high1 Ų135.8 Ų35.81%0.00719%0.186CC..Hα-helixtrans-72.4-20.3-176.9-55.50000113.8G114 T115 F116 T148 L149G114-S152 CarbonylContact C-O 3.53Å; G114-S152 PolarHBondContact N-O 2.77Å; T115-S152 PolarHBondContact N-O 3.29Å; F116-S152 PolarHBondContact N-O 2.93Å; F116-S152 VanDerWaalsContact N-O 3.08Å; T148-S152 PolarHBondContact O-N 3.45Å; T148-S152 PolarHBondContact O-OG 3.14Å; L149-S152 WeakPolarHBondContact O-CA 3.35Å; L149-S152 WeakPolarHBondContact O-CB 3.48Å; L149-S152 PolarHBondContact O-N 2.92Å
153L98.4Very high97.6Very high7 Ų735.8 Ų35.84%0.03719%0.186CC..EExtended strand (participates in β ladder)trans-83.8142.5178.7-70.9168.2000112.2F116 C119 L149 S151 A159 F183 A206F116-L153 HydrophobicContact CB-CD2 4.14Å; C119-L153 HydrophobicContact CB-CD2 3.94Å; L149-L153 HydrophobicContact CD1-CD1 4.22Å; L149-L153 HydrophobicContact CD1-CG 4.2Å; L149-L153 HydrophobicContact CD2-CD1 4.45Å; L149-L153 HydrophobicContact CG-CD1 3.96Å; L149-L153 HydrophobicContact CG-CG 4.37Å; L149-L153 WeakPolarHBondContact O-CG 3.41Å; L149-L153 PolarHBondContact O-N 3.41Å; S151-L153 VanDerWaalsContact C-N 3.31Å; S151-L153 PolarHBondContact O-N 3.48Å; L153-A159 HydrophobicContact CD1-CB 3.96Å; L153-F183 HydrophobicContact CD1-CE1 3.68Å; L153-F183 HydrophobicContact CD1-CZ 3.84Å; L153-A206 HydrophobicContact CB-CB 3.83Å; L153-A206 HydrophobicContact CD1-CB 4.03Å
154A96.6Very high97.3Very high22 Ų2235.3 Ų35.318%0.18218%0.184CC..EExtended strand (participates in β ladder)trans-65.8157.7171.400000111.1F116 G156 S157F116-A154 PolarHBondContact O-N 2.89Å; A154-G156 PolarHBondContact O-N 3.09Å; A154-S157 WeakPolarHBondContact CB-OG 3.25Å; A154-S157 WeakPolarHBondContact O-CB 3.46Å; A154-S157 PolarHBondContact O-N 3.46Å; A154-S157 PolarHBondContact O-OG 2.93Å; A154-S157 VanDerWaalsContact O-OG 3.12Å
155R94.2Very high97Very high234 Ų23433.7 Ų33.788%0.88317%0.174SC*.EExtended strand (participates in β ladder)trans-71.2126.7-178.5-66.9178.867.2178.50.6109.7S157R155-S157 VanDerWaalsContact C-N 3.33Å
156G91.6Very high96.5Very high56 Ų5638.5 Ų38.558%0.57720%0.197SC*.EExtended strand (participates in β ladder)trans91.5-6.5-175.600000113.6A154 A206A154-G156 PolarHBondContact O-N 3.09Å; G156-A206 WeakPolarHBondContact CA-O 3.39Å; G156-A206 PolarHBondContact N-O 3.01Å
157S95.9Very high96.1Very high12 Ų1241.9 Ų41.98%0.08422%0.215CC..EExtended strand (participates in β ladder)trans-67.5159.5176.8-65.70000112.5D117 A154 R155 A206D117-S157 VanDerWaalsContact C-OG 3.29Å; D117-S157 WeakPolarHBondContact O-CB 3.49Å; D117-S157 PolarHBondContact O-OG 3.32Å; A154-S157 WeakPolarHBondContact CB-OG 3.25Å; A154-S157 WeakPolarHBondContact O-CB 3.46Å; A154-S157 PolarHBondContact O-N 3.46Å; A154-S157 PolarHBondContact O-OG 2.93Å; A154-S157 VanDerWaalsContact O-OG 3.12Å; R155-S157 VanDerWaalsContact C-N 3.33Å; S157-A206 PolarHBondContact O-N 2.96Å
158R97.9Very high95.8Very high80 Ų8044.9 Ų44.930%0.30224%0.236SC..EExtended strand (participates in β ladder)trans-114.4153177.2-54.7-167.8-161.9171.88.2110.9L46 L47 S48 G118 C119 L204 F205L46-R158 PolarHBondContact O-NH1 3.39Å; L47-R158 HydrophobicContact CD2-CB 3.78Å; L47-R158 VanDerWaalsContact CD2-O 3.24Å; L47-R158 WeakPolarHBondContact CD2-O 3.32Å; L47-R158 VanDerWaalsContact O-CD 3.24Å; L47-R158 WeakPolarHBondContact O-CD 3.44Å; S48-R158 VanDerWaalsContact CB-CZ 3.4Å; S48-R158 PolarHBondContact OG-NH2 3.28Å; G118-R158 VanDerWaalsContact CA-O 3.25Å; G118-R158 WeakPolarHBondContact CA-O 3.35Å; C119-R158 PolarHBondContact N-O 2.64Å; C119-R158 VanDerWaalsContact N-O 3.08Å; R158-L204 CarbonylContact C-O 3.58Å; R158-L204 VanDerWaalsContact CA-O 3.23Å; R158-L204 WeakPolarHBondContact CA-O 3.45Å; R158-F205 HydrophobicContact CG-CD1 3.76Å; R158-F205 HydrophobicContact CG-CE1 4.07Å
159A98.5Very high95.5Very high0 Ų049.9 Ų49.90%026%0.256CS..EExtended strand (participates in β ladder)trans-129128.2169.800000109.2C119 L149 L153 F161 F183 L204C119-A159 HydrophobicContact CB-CB 3.95Å; C119-A159 CarbonylContact O-C 3.55Å; C119-A159 VanDerWaalsContact O-CA 3.24Å; C119-A159 WeakPolarHBondContact O-CA 3.24Å; L149-A159 HydrophobicContact CD2-CB 4.38Å; L153-A159 HydrophobicContact CD1-CB 3.96Å; A159-F161 HydrophobicContact CB-CE2 3.59Å; A159-F161 HydrophobicContact CB-CZ 3.92Å; A159-F183 HydrophobicContact CB-CE1 4.46Å; A159-L204 HydrophobicContact CB-CB 4.41Å; A159-L204 PolarHBondContact N-O 3.23Å; A159-L204 PolarHBondContact O-N 3.17Å
160V98.7Very high95.3Very high1 Ų150.8 Ų50.81%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-121.1120.7-176.5179.30000109.6A43 L46 L47 C119 I120 S121 F201 L202A43-V160 HydrophobicContact CB-CB 4.41Å; A43-V160 HydrophobicContact CB-CG1 3.88Å; L46-V160 HydrophobicContact CB-CG1 4.15Å; L46-V160 HydrophobicContact CB-CG2 3.9Å; L46-V160 HydrophobicContact CD1-CG1 4.23Å; L47-V160 HydrophobicContact CD2-CB 4.36Å; L47-V160 HydrophobicContact CD2-CG2 3.8Å; L47-V160 HydrophobicContact CG-CB 4.47Å; L47-V160 HydrophobicContact CG-CG2 4.01Å; C119-V160 PolarHBondContact O-N 2.91Å; I120-V160 CarbonylContact C-O 3.57Å; I120-V160 WeakPolarHBondContact CA-O 3.36Å; S121-V160 PolarHBondContact N-O 2.89Å; V160-F201 HydrophobicContact CG1-CB 4.47Å; V160-F201 HydrophobicContact CG1-CD1 4.12Å; V160-L202 WeakPolarHBondContact CA-O 3.38Å
161F98.6Very high95Very high0 Ų049.1 Ų49.10%026%0.256CS..EExtended strand (participates in β ladder)trans-114116.9179.7-54.5-94.1000109.6S121 L125 F145 F146 L149 A159 L163 F201 L202 L204S121-F161 CarbonylContact O-C 3.57Å; S121-F161 WeakPolarHBondContact O-CA 3.35Å; L125-F161 HydrophobicContact CB-CD1 4.3Å; L125-F161 HydrophobicContact CD1-CD1 4.4Å; L125-F161 HydrophobicContact CD2-CB 3.92Å; L125-F161 HydrophobicContact CD2-CD1 3.87Å; L125-F161 HydrophobicContact CD2-CG 3.85Å; L125-F161 HydrophobicContact CG-CD1 4.43Å; F145-F161 AromaticContact CE1-CE1 3.76Å; F145-F161 HydrophobicContact CE1-CE1 3.76Å; F145-F161 HydrophobicContact CE1-CZ 4.08Å; F145-F161 AromaticContact CZ-CE1 3.62Å; F145-F161 HydrophobicContact CZ-CE1 3.62Å; F145-F161 HydrophobicContact CZ-CZ 4.05Å; F146-F161 HydrophobicContact CE1-CE2 4.14Å; F146-F161 HydrophobicContact CE1-CZ 4.28Å; L149-F161 HydrophobicContact CD2-CE1 4.33Å; L149-F161 HydrophobicContact CD2-CE2 4.39Å; L149-F161 HydrophobicContact CD2-CZ 3.51Å; A159-F161 HydrophobicContact CB-CE2 3.59Å; A159-F161 HydrophobicContact CB-CZ 3.92Å; F161-L163 HydrophobicContact CB-CD2 4.27Å; F161-L163 WeakPolarHBondContact O-CD2 3.44Å; F161-F201 CarbonylContact O-C 3.52Å; F161-F201 VanDerWaalsContact O-CA 3.28Å; F161-F201 WeakPolarHBondContact O-CA 3.29Å; F161-L202 HydrophobicContact CB-CB 4.19Å; F161-L202 HydrophobicContact CD2-CB 4.45Å; F161-L202 HydrophobicContact CD2-CD2 4.2Å; F161-L202 HydrophobicContact CD2-CG 4.46Å; F161-L202 PolarHBondContact N-O 2.84Å; F161-L202 PolarHBondContact O-N 3.26Å; F161-L204 HydrophobicContact CD2-CD1 4.28Å; F161-L204 HydrophobicContact CE2-CD1 3.85Å; F161-L204 HydrophobicContact CE2-CG 4.43Å
162Q98Very high94.9Very high0 Ų052.9 Ų52.90%027%0.267CS..EExtended strand (participates in β ladder)trans-84.7127.3163.8-170.6-76.8-47.200108.6M39 S121 I122 S123 F200 F201M39-Q162 HydrophobicContact CB-CG 4.33Å; M39-Q162 HydrophobicContact CG-CG 4.29Å; M39-Q162 HydrophobicContact SD-CG 3.82Å; M39-Q162 PolarHBondContact SD-OE1 2.9Å; S121-Q162 PolarHBondContact O-N 3.28Å; I122-Q162 HydrophobicContact CD1-CB 3.95Å; I122-Q162 HydrophobicContact CG2-CB 4.48Å; S123-Q162 PolarHBondContact N-O 2.9Å; S123-Q162 PolarHBondContact OG-OE1 3.29Å; Q162-F200 WeakPolarHBondContact CA-O 3.31Å; Q162-F201 HydrophobicContact CB-CD1 3.74Å; Q162-F201 HydrophobicContact CB-CE1 3.61Å; Q162-F201 HydrophobicContact CB-CZ 4.39Å; Q162-F201 HydrophobicContact CG-CD1 4.01Å; Q162-F201 HydrophobicContact CG-CE1 3.6Å; Q162-F201 HydrophobicContact CG-CZ 3.88Å
163L96Very high94.8Very high0 Ų055 Ų550%028%0.278CS..EExtended strand (participates in β ladder)trans-142.9165.3-17865.3139.7000113.8F161 P165 L171 I174 F200 L202F161-L163 HydrophobicContact CB-CD2 4.27Å; F161-L163 WeakPolarHBondContact O-CD2 3.44Å; L163-P165 HydrophobicContact CD1-CB 4.43Å; L163-P165 WeakPolarHBondContact O-CD 3.42Å; L163-L171 HydrophobicContact CD1-CD1 4.17Å; L163-I174 HydrophobicContact CD1-CD1 3.58Å; L163-F200 PolarHBondContact N-O 3.47Å; L163-F200 VanDerWaalsContact N-O 3.08Å; L163-L202 HydrophobicContact CD2-CB 3.97Å
164Y93.4Very high94.7Very high72 Ų7254.7 Ų54.728%0.28228%0.276SS..  trans-117.783.3174.8-61.9-69.3000111.3R7 M39 S123 K199R7-Y164 PolarHBondContact NH1-O 3.37Å; M39-Y164 PolarHBondContact SD-OH 3.37Å; M39-Y164 VanDerWaalsContact SD-OH 3.35Å; S123-Y164 WeakPolarHBondContact OG-CE2 3.27Å; Y164-K199 HydrophobicContact CE1-CD 4.27Å; Y164-K199 PolarHBondContact OH-NZ 2.98Å
165P91.1Very high94.7Very high18 Ų1855.4 Ų55.412%0.11728%0.279CS..  trans-62.4142.8175.528-33.9000110.7R7 L163 L171 F200R7-P165 PolarHBondContact NH2-O 3.31Å; L163-P165 HydrophobicContact CD1-CB 4.43Å; L163-P165 WeakPolarHBondContact O-CD 3.42Å; P165-L171 HydrophobicContact CB-CB 4.38Å; P165-L171 HydrophobicContact CB-CD1 4.29Å; P165-L171 HydrophobicContact CG-CD1 4.17Å; P165-F200 HydrophobicContact CG-CD1 4.38Å; P165-F200 HydrophobicContact CG-CD2 3.91Å; P165-F200 HydrophobicContact CG-CE1 4.48Å; P165-F200 HydrophobicContact CG-CE2 4.01Å; P165-F200 HydrophobicContact CG-CG 4.09Å; P165-F200 HydrophobicContact CG-CZ 4.28Å
166E88.5Confident94.9Very high101 Ų10146.8 Ų46.847%0.47225%0.254SS..SBendtrans-77.5-42.2171.6-170.7179.3-168.400110.9H10H10-E166 IonicContact CE1-OE1 3.35Å; H10-E166 PolarHBondContact CE1-OE1 2.93Å; H10-E166 IonicContact NE2-OE1 3.68Å; H10-E166 IonicContact NE2-OE2 3.8Å
167N90.8Very high95.2Very high71 Ų7145 Ų4538%0.3823%0.23SC..SBendtrans-147.2172.8-177.658.746.8000111.5E169 Q170 L171N167-E169 VanDerWaalsContact C-N 3.28Å; N167-E169 PolarHBondContact O-N 3.26Å; N167-E169 WeakPolarHBondContact OD1-CB 3.35Å; N167-E169 PolarHBondContact OD1-N 2.9Å; N167-E169 VanDerWaalsContact OD1-N 3.16Å; N167-Q170 PolarHBondContact O-N 3.13Å; N167-Q170 WeakPolarHBondContact OD1-CB 3.28Å; N167-Q170 PolarHBondContact OD1-N 3.31Å; N167-L171 PolarHBondContact O-N 3.17Å
168S91.2Very high95.3Very high95 Ų9544.4 Ų44.466%0.66423%0.226SC*.Hα-helixtrans-65.8-30.4178.6500000113.1L171 E172S168-L171 WeakPolarHBondContact O-CB 3.38Å; S168-L171 PolarHBondContact O-N 3.26Å; S168-E172 WeakPolarHBondContact O-CB 3.2Å; S168-E172 PolarHBondContact O-N 2.81Å
169E93Very high95.2Very high145 Ų14544 Ų4468%0.67823%0.229SC*.Hα-helixtrans-66.7-39.6179.5-59.4-180179.300111.4N167 L171 E172 L173N167-E169 VanDerWaalsContact C-N 3.28Å; N167-E169 PolarHBondContact O-N 3.26Å; N167-E169 WeakPolarHBondContact OD1-CB 3.35Å; N167-E169 PolarHBondContact OD1-N 2.9Å; N167-E169 VanDerWaalsContact OD1-N 3.16Å; E169-L171 VanDerWaalsContact C-N 3.33Å; E169-E172 PolarHBondContact O-N 3.12Å; E169-L173 WeakPolarHBondContact O-CB 3.23Å; E169-L173 PolarHBondContact O-N 3.45Å
170Q93.4Very high95.2Very high19 Ų1951.6 Ų51.69%0.08926%0.257CS..Hα-helixtrans-63.2-42.5174.4-170.5-175.53.400110.8C129 N167 L173 I174C129-Q170 HydrophobicContact CB-CG 3.74Å; C129-Q170 WeakPolarHBondContact SG-CG 3.41Å; C129-Q170 PolarHBondContact SG-NE2 3.29Å; N167-Q170 PolarHBondContact O-N 3.13Å; N167-Q170 WeakPolarHBondContact OD1-CB 3.28Å; N167-Q170 PolarHBondContact OD1-N 3.31Å; Q170-L173 PolarHBondContact O-N 3.19Å; Q170-I174 HydrophobicContact CG-CD1 4.25Å; Q170-I174 VanDerWaalsContact O-CG1 3.27Å; Q170-I174 WeakPolarHBondContact O-CG1 3.37Å; Q170-I174 PolarHBondContact O-N 2.88Å
171L93.8Very high95.1Very high35 Ų3552.3 Ų52.318%0.18326%0.263CS..Hα-helixtrans-63.6-43.1177.4-164.465.1000111.7L163 P165 N167 S168 E169 T175 M187 F200L163-L171 HydrophobicContact CD1-CD1 4.17Å; P165-L171 HydrophobicContact CB-CB 4.38Å; P165-L171 HydrophobicContact CB-CD1 4.29Å; P165-L171 HydrophobicContact CG-CD1 4.17Å; N167-L171 PolarHBondContact O-N 3.17Å; S168-L171 WeakPolarHBondContact O-CB 3.38Å; S168-L171 PolarHBondContact O-N 3.26Å; E169-L171 VanDerWaalsContact C-N 3.33Å; L171-T175 WeakPolarHBondContact O-CB 3.48Å; L171-T175 PolarHBondContact O-N 3.5Å; L171-T175 PolarHBondContact O-OG1 2.92Å; L171-M187 HydrophobicContact CD1-CE 3.32Å; L171-M187 HydrophobicContact CD1-SD 4.11Å; L171-M187 HydrophobicContact CD2-CE 4.42Å; L171-M187 HydrophobicContact CG-CE 4.05Å; L171-F200 HydrophobicContact CD2-CD1 4.49Å; L171-F200 HydrophobicContact CD2-CE1 4.41Å
172E95.2Very high95Very high141 Ų14154 Ų5466%0.65928%0.281SS*.Hα-helixtrans-64.6-41.4175.1-174.1177.3-178.600111.5S168 E169 T175 S176S168-E172 WeakPolarHBondContact O-CB 3.2Å; S168-E172 PolarHBondContact O-N 2.81Å; E169-E172 PolarHBondContact O-N 3.12Å; E172-T175 PolarHBondContact O-N 3.33Å; E172-S176 WeakPolarHBondContact O-CB 3.46Å; E172-S176 PolarHBondContact O-N 3.11Å; E172-S176 PolarHBondContact O-OG 3.02Å; E172-S176 VanDerWaalsContact O-OG 3.06Å
173L96.1Very high95Very high46 Ų4654.3 Ų54.324%0.24128%0.283CS..Hα-helixtrans-60.1-50.2176.2175.461.4000111.3P138 P139 L142 E169 Q170 T175 S176 Q177P138-L173 HydrophobicContact CB-CD2 4.44Å; P139-L173 HydrophobicContact CB-CD1 4.05Å; P139-L173 HydrophobicContact CG-CD1 3.93Å; P139-L173 HydrophobicContact CG-CD2 4.39Å; L142-L173 HydrophobicContact CD1-CD2 3.97Å; L142-L173 HydrophobicContact CD1-CG 3.8Å; E169-L173 WeakPolarHBondContact O-CB 3.23Å; E169-L173 PolarHBondContact O-N 3.45Å; Q170-L173 PolarHBondContact O-N 3.19Å; L173-T175 PolarHBondContact O-N 2.92Å; L173-S176 PolarHBondContact O-N 3.07Å; L173-S176 PolarHBondContact O-OG 2.96Å; L173-Q177 HydrophobicContact CD1-CG 4.2Å; L173-Q177 WeakPolarHBondContact O-CG 3.49Å; L173-Q177 PolarHBondContact O-N 3.08Å
174I97.3Very high95Very high0 Ų057 Ų570%030%0.302CS..Hα-helixtrans-59-50.9178.6-67.4169.5000110L125 L142 F146 L163 Q170 S176 Q177 A178 L202L125-I174 HydrophobicContact CD2-CG2 3.65Å; L142-I174 HydrophobicContact CD1-CG1 4.1Å; L142-I174 HydrophobicContact CD2-CG1 4.15Å; F146-I174 HydrophobicContact CE2-CG2 4.06Å; F146-I174 WeakPolarHBondContact CE2-O 3.41Å; F146-I174 HydrophobicContact CZ-CG2 3.89Å; L163-I174 HydrophobicContact CD1-CD1 3.58Å; Q170-I174 HydrophobicContact CG-CD1 4.25Å; Q170-I174 VanDerWaalsContact O-CG1 3.27Å; Q170-I174 WeakPolarHBondContact O-CG1 3.37Å; Q170-I174 PolarHBondContact O-N 2.88Å; I174-S176 PolarHBondContact O-N 3.28Å; I174-Q177 PolarHBondContact O-N 2.79Å; I174-A178 PolarHBondContact O-N 3.37Å; I174-L202 HydrophobicContact CG2-CD2 3.75Å
175T96.3Very high95.1Very high38 Ų3855.3 Ų55.323%0.23331%0.306CS..Hα-helixtrans-62.3-44.1-177.9-52.60000111L171 E172 L173 Q177 A178 M179L171-T175 WeakPolarHBondContact O-CB 3.48Å; L171-T175 PolarHBondContact O-N 3.5Å; L171-T175 PolarHBondContact O-OG1 2.92Å; E172-T175 PolarHBondContact O-N 3.33Å; L173-T175 PolarHBondContact O-N 2.92Å; T175-Q177 PolarHBondContact O-N 3.49Å; T175-A178 PolarHBondContact O-N 3.06Å; T175-M179 HydrophobicContact CG2-CE 3.99Å; T175-M179 HydrophobicContact CG2-CG 4.33Å; T175-M179 VanDerWaalsContact O-CG 3.23Å; T175-M179 WeakPolarHBondContact O-CG 3.41Å; T175-M179 PolarHBondContact O-N 3.42Å
176S97.1Very high95.2Very high53 Ų5355.9 Ų55.937%0.37132%0.315SS..Hα-helixtrans-63.1-38.8179.268.20000112.6E172 L173 I174 R180E172-S176 WeakPolarHBondContact O-CB 3.46Å; E172-S176 PolarHBondContact O-N 3.11Å; E172-S176 PolarHBondContact O-OG 3.02Å; E172-S176 VanDerWaalsContact O-OG 3.06Å; L173-S176 PolarHBondContact O-N 3.07Å; L173-S176 PolarHBondContact O-OG 2.96Å; I174-S176 PolarHBondContact O-N 3.28Å; S176-R180 WeakPolarHBondContact O-CB 3.45Å; S176-R180 PolarHBondContact O-N 3.3Å
177Q98.2Very high95.5Very high17 Ų1753.8 Ų53.88%0.07931%0.306CS..Hα-helixtrans-70.4-37.9176.3-64.8-37.4-6700112.2L142 F146 L173 I174 T175 R180 A181L142-Q177 HydrophobicContact CB-CB 3.92Å; L142-Q177 HydrophobicContact CB-CG 3.81Å; F146-Q177 HydrophobicContact CD2-CB 4.07Å; F146-Q177 HydrophobicContact CE2-CB 4.46Å; L173-Q177 HydrophobicContact CD1-CG 4.2Å; L173-Q177 WeakPolarHBondContact O-CG 3.49Å; L173-Q177 PolarHBondContact O-N 3.08Å; I174-Q177 PolarHBondContact O-N 2.79Å; T175-Q177 PolarHBondContact O-N 3.49Å; Q177-R180 PolarHBondContact O-N 2.85Å; Q177-A181 WeakPolarHBondContact O-CB 3.29Å; Q177-A181 PolarHBondContact O-N 2.79Å
178A97.8Very high95.8Very high0 Ų052.6 Ų52.60%030%0.301CS..Hα-helixtrans-60.6-49.6173.700000111.7F146 I174 T175 R180 A181 G182 F183 L204F146-A178 HydrophobicContact CD1-CB 4.03Å; F146-A178 HydrophobicContact CD2-CB 3.96Å; F146-A178 HydrophobicContact CE1-CB 3.93Å; F146-A178 HydrophobicContact CE2-CB 3.85Å; F146-A178 HydrophobicContact CG-CB 4.05Å; F146-A178 HydrophobicContact CZ-CB 3.83Å; I174-A178 PolarHBondContact O-N 3.37Å; T175-A178 PolarHBondContact O-N 3.06Å; A178-R180 VanDerWaalsContact C-N 3.3Å; A178-R180 PolarHBondContact O-N 3.06Å; A178-A181 WeakPolarHBondContact O-CB 3.33Å; A178-A181 PolarHBondContact O-N 3.44Å; A178-A181 VanDerWaalsContact O-N 3.12Å; A178-G182 PolarHBondContact O-N 2.76Å; A178-F183 WeakPolarHBondContact O-CB 3.44Å; A178-F183 PolarHBondContact O-N 3.42Å; A178-L204 HydrophobicContact CB-CD1 3.7Å; A178-L204 HydrophobicContact CB-CD2 4.08Å
179M96.4Very high96Very high71 Ų7150.3 Ų50.335%0.3528%0.283SS..Hα-helixtrans-62.8-39.4178.4-62.6-62.3159.400111.5T175 A181 G182 G185 L204T175-M179 HydrophobicContact CG2-CE 3.99Å; T175-M179 HydrophobicContact CG2-CG 4.33Å; T175-M179 VanDerWaalsContact O-CG 3.23Å; T175-M179 WeakPolarHBondContact O-CG 3.41Å; T175-M179 PolarHBondContact O-N 3.42Å; M179-A181 VanDerWaalsContact C-N 3.29Å; M179-A181 PolarHBondContact O-N 3.49Å; M179-G182 PolarHBondContact O-N 3Å; M179-G182 VanDerWaalsContact O-N 3.11Å; M179-G185 WeakPolarHBondContact CE-O 3.32Å; M179-L204 HydrophobicContact CE-CD2 4.37Å
180R97.6Very high96.1Very high160 Ų16045 Ų4560%0.60426%0.259SS*.Hα-helixtrans-65.5-30.8176-172.2-175.3170.1-158.9-1.6112.8Y143 S176 Q177 A178 G182Y143-R180 HydrophobicContact CD2-CB 4.41Å; Y143-R180 HydrophobicContact CD2-CG 4.15Å; Y143-R180 HydrophobicContact CE2-CB 4.33Å; Y143-R180 HydrophobicContact CE2-CG 3.79Å; S176-R180 WeakPolarHBondContact O-CB 3.45Å; S176-R180 PolarHBondContact O-N 3.3Å; Q177-R180 PolarHBondContact O-N 2.85Å; A178-R180 VanDerWaalsContact C-N 3.3Å; A178-R180 PolarHBondContact O-N 3.06Å; R180-G182 PolarHBondContact O-N 3.42Å
181A97.5Very high96.1Very high16 Ų1651.7 Ų51.713%0.13229%0.285CS..Hα-helixtrans-73.4-14.9174.700000113.2Y143 F146 Q177 A178 M179 F183Y143-A181 HydrophobicContact CE2-CB 4.49Å; F146-A181 HydrophobicContact CB-CB 3.55Å; Q177-A181 WeakPolarHBondContact O-CB 3.29Å; Q177-A181 PolarHBondContact O-N 2.79Å; A178-A181 WeakPolarHBondContact O-CB 3.33Å; A178-A181 PolarHBondContact O-N 3.44Å; A178-A181 VanDerWaalsContact O-N 3.12Å; M179-A181 VanDerWaalsContact C-N 3.29Å; M179-A181 PolarHBondContact O-N 3.49Å; A181-F183 HydrophobicContact CB-CD2 4.34Å
182G96.4Very high96Very high36 Ų3653.3 Ų53.337%0.37130%0.298SS..THydrogen-bonded Turntrans112.70.2176.300000114.6Y150 A178 M179 R180Y150-G182 WeakPolarHBondContact CE2-O 3.49Å; Y150-G182 PolarHBondContact OH-O 3.41Å; A178-G182 PolarHBondContact O-N 2.76Å; M179-G182 PolarHBondContact O-N 3Å; M179-G182 VanDerWaalsContact O-N 3.11Å; R180-G182 PolarHBondContact O-N 3.42Å
183F97.7Very high95.8Very high7 Ų754.5 Ų54.53%0.03131%0.308CS..  trans-66.9150.5170.6-70.6-79.6000110.9F146 L149 Y150 L153 A159 A178 A181 L204 F205 A206F146-F183 HydrophobicContact CB-CD2 4.37Å; F146-F183 HydrophobicContact CB-CE2 4.1Å; F146-F183 HydrophobicContact CD1-CD2 4.23Å; F146-F183 AromaticContact CD1-CE2 3.92Å; F146-F183 HydrophobicContact CD1-CE2 3.92Å; F146-F183 HydrophobicContact CG-CE2 4.46Å; F146-F183 WeakPolarHBondContact O-CE2 3.26Å; L149-F183 HydrophobicContact CD2-CZ 4.11Å; L149-F183 HydrophobicContact CG-CZ 4.16Å; Y150-F183 AromaticContact CD2-CD1 3.81Å; Y150-F183 HydrophobicContact CD2-CD1 3.81Å; Y150-F183 AromaticContact CD2-CD2 3.89Å; Y150-F183 HydrophobicContact CD2-CD2 3.89Å; Y150-F183 AromaticContact CD2-CE1 3.85Å; Y150-F183 HydrophobicContact CD2-CE1 3.85Å; Y150-F183 AromaticContact CD2-CE2 3.92Å; Y150-F183 HydrophobicContact CD2-CE2 3.92Å; Y150-F183 AromaticContact CD2-CG 3.84Å; Y150-F183 HydrophobicContact CD2-CG 3.84Å; Y150-F183 AromaticContact CD2-CZ 3.9Å; Y150-F183 HydrophobicContact CD2-CZ 3.9Å; Y150-F183 HydrophobicContact CE2-CD1 4.37Å; Y150-F183 HydrophobicContact CE2-CG 4.45Å; Y150-F183 HydrophobicContact CG-CE2 4.31Å; Y150-F183 HydrophobicContact CG-CZ 4.33Å; L153-F183 HydrophobicContact CD1-CE1 3.68Å; L153-F183 HydrophobicContact CD1-CZ 3.84Å; A159-F183 HydrophobicContact CB-CE1 4.46Å; A178-F183 WeakPolarHBondContact O-CB 3.44Å; A178-F183 PolarHBondContact O-N 3.42Å; A181-F183 HydrophobicContact CB-CD2 4.34Å; F183-L204 HydrophobicContact CB-CB 4.11Å; F183-L204 HydrophobicContact CB-CD1 4.18Å; F183-L204 HydrophobicContact CB-CD2 4.21Å; F183-L204 HydrophobicContact CB-CG 4.41Å; F183-L204 HydrophobicContact CD1-CB 3.61Å; F183-L204 HydrophobicContact CD1-CD1 4.15Å; F183-L204 HydrophobicContact CD1-CG 4.47Å; F183-L204 HydrophobicContact CD2-CD1 4.04Å; F183-L204 HydrophobicContact CE1-CB 4.21Å; F183-L204 HydrophobicContact CE2-CD1 4.43Å; F183-L204 HydrophobicContact CG-CB 3.99Å; F183-L204 HydrophobicContact CG-CD1 3.87Å; F183-L204 HydrophobicContact CG-CG 4.42Å; F183-F205 WeakPolarHBondContact CA-O 3.29Å; F183-F205 WeakPolarHBondContact CD1-O 3.4Å; F183-A206 HydrophobicContact CD1-CB 4.4Å; F183-A206 HydrophobicContact CE1-CB 3.99Å
184S96.6Very high95.5Very high57 Ų5754.5 Ų54.540%0.39931%0.312SS..EExtended strand (participates in β ladder)trans-110.6173157.8650000109.2L204 F205S184-L204 CarbonylContact O-C 3.49Å; S184-L204 VanDerWaalsContact O-CA 3.28Å; S184-L204 WeakPolarHBondContact O-CA 3.44Å; S184-F205 PolarHBondContact N-O 3.35Å; S184-F205 PolarHBondContact O-N 2.8Å
185G94.8Very high94.8Very high36 Ų3660.2 Ų60.237%0.37135%0.352SS..EExtended strand (participates in β ladder)trans132.8-153.1174.500000113.8M179 C203M179-G185 WeakPolarHBondContact CE-O 3.32Å; G185-C203 CarbonylContact C-O 3.54Å; G185-C203 WeakPolarHBondContact CA-O 3.45Å
186G93.8Very high94.1Very high30 Ų3067.7 Ų67.731%0.30938%0.381SS..EExtended strand (participates in β ladder)trans-172.5-175.3-17300000114.6C203G186-C203 PolarHBondContact N-O 3.21Å; G186-C203 PolarHBondContact O-N 2.95Å
187M95.5Very high93.6Very high57 Ų5767.1 Ų67.128%0.28138%0.38SS..EExtended strand (participates in β ladder)trans-99.2130-179.2-16965.345.700110.5L171 V189 F200 F201 L202L171-M187 HydrophobicContact CD1-CE 3.32Å; L171-M187 HydrophobicContact CD1-SD 4.11Å; L171-M187 HydrophobicContact CD2-CE 4.42Å; L171-M187 HydrophobicContact CG-CE 4.05Å; M187-V189 HydrophobicContact CG-CG2 3.88Å; M187-F200 HydrophobicContact CG-CD1 4.12Å; M187-F200 HydrophobicContact SD-CB 3.89Å; M187-F200 HydrophobicContact SD-CD1 4.06Å; M187-F201 CarbonylContact C-O 3.55Å; M187-F201 WeakPolarHBondContact CA-O 3.48Å; M187-F201 VanDerWaalsContact SD-C 3.54Å; M187-F201 VanDerWaalsContact SD-O 3.35Å; M187-L202 HydrophobicContact CE-CB 3.72Å; M187-L202 HydrophobicContact CE-CD1 3.65Å; M187-L202 HydrophobicContact CE-CG 4.26Å; M187-L202 HydrophobicContact SD-CB 4.4Å
188V96.4Very high93.3Very high45 Ų4569.8 Ų69.827%0.27339%0.391SS..EExtended strand (participates in β ladder)trans-104.4131.2167179.50000107.6L46 F201L46-V188 HydrophobicContact CD2-CG2 4.42Å; V188-F201 HydrophobicContact CB-CB 4.26Å; V188-F201 PolarHBondContact N-O 3.26Å; V188-F201 PolarHBondContact O-N 2.99Å
189V96.1Very high93.1Very high47 Ų4771.7 Ų71.729%0.28540%0.399SS..EExtended strand (participates in β ladder)trans-122.7107-179.6-174.20000108.9M187 P192 K198 K199 F200M187-V189 HydrophobicContact CG-CG2 3.88Å; V189-P192 HydrophobicContact CG1-CB 4.17Å; V189-K198 HydrophobicContact CG1-CD 4.12Å; V189-K198 HydrophobicContact CG1-CG 3.8Å; V189-K199 WeakPolarHBondContact CA-O 3.29Å; V189-F200 HydrophobicContact CG1-CD1 4.36Å; V189-F200 HydrophobicContact CG1-CE1 4.25Å; V189-F200 HydrophobicContact CG2-CD1 3.62Å; V189-F200 HydrophobicContact CG2-CE1 3.8Å
190D94.3Very high93.1Very high34 Ų3470.5 Ų70.518%0.18239%0.392CS..EExtended strand (participates in β ladder)trans-82.2144.7174.6-67.5-21.9000109.7R42 K198 K199 F201R42-D190 WeakPolarHBondContact CG-OD2 3.46Å; R42-D190 IonicContact CZ-OD1 2.93Å; R42-D190 IonicContact CZ-OD2 3.2Å; R42-D190 IonicContact NE-OD1 2.7Å; R42-D190 IonicContact NE-OD2 3.74Å; R42-D190 PolarHBondContact NE-OD2 2.83Å; R42-D190 IonicContact NH2-OD1 2.77Å; R42-D190 PolarHBondContact NH2-OD1 2.77Å; R42-D190 IonicContact NH2-OD2 3.74Å; D190-K198 WeakPolarHBondContact O-CA 3.17Å; D190-K199 HydrophobicContact CB-CB 4.48Å; D190-K199 PolarHBondContact N-O 3.49Å; D190-K199 PolarHBondContact O-N 3.29Å; D190-K199 VanDerWaalsContact O-N 3.11Å; D190-F201 WeakPolarHBondContact OD2-CE2 3.39Å
191Y93.4Very high93.2Very high159 Ų15963 Ų6362%0.62436%0.364SS*.SBendtrans50.153.5-176.1-49.1-76.3000114.3N193 S194 A197Y191-N193 PolarHBondContact O-N 2.85Å; Y191-S194 PolarHBondContact O-N 3.2Å; Y191-A197 HydrophobicContact CD2-CB 4.47Å; Y191-A197 HydrophobicContact CG-CB 4.28Å
192P92.6Very high93.2Very high70 Ų7062.2 Ų62.246%0.45536%0.358SS..THydrogen-bonded Turntrans-62.2-23.6-170.725.7-35.6000114.1V189 K198V189-P192 HydrophobicContact CG1-CB 4.17Å; P192-K198 WeakPolarHBondContact O-CE 3.42Å; P192-K198 PolarHBondContact O-NZ 3.12Å
193N91.2Very high93.3Very high166 Ų16661.2 Ų61.289%0.88835%0.345SS*.THydrogen-bonded Turntrans-83.2-11.5-179.2-61-30.6000113.6Y191Y191-N193 PolarHBondContact O-N 2.85Å
194S89.2Confident93.3Very high46 Ų4661 Ų6132%0.32234%0.344SS..  trans-104.7124.3-179.4-1790000110.8Y191 K196 A197 K198Y191-S194 PolarHBondContact O-N 3.2Å; S194-K196 VanDerWaalsContact C-N 3.26Å; S194-K196 PolarHBondContact O-N 3.21Å; S194-K196 PolarHBondContact OG-N 3.08Å; S194-A197 WeakPolarHBondContact OG-CB 3.22Å; S194-A197 PolarHBondContact OG-N 3.23Å; S194-K198 WeakPolarHBondContact O-CB 3.4Å; S194-K198 PolarHBondContact O-N 3.43Å
195S82.1Confident93.3Very high119 Ų11961.8 Ų61.883%0.83234%0.34SS*.THydrogen-bonded Turntrans-71.6-21.9173.955.90000113.4
196K81.9Confident93.3Very high195 Ų19560.2 Ų60.285%0.84832%0.324SS*.THydrogen-bonded Turntrans-95-36.5-177.9-67.4-176.4179.41790113.4S194S194-K196 VanDerWaalsContact C-N 3.26Å; S194-K196 PolarHBondContact O-N 3.21Å; S194-K196 PolarHBondContact OG-N 3.08Å
197A86.4Confident92.8Very high41 Ų4159.6 Ų59.634%0.33932%0.317SS..THydrogen-bonded Turntrans-96.2-9.3-176.500000113.2Y191 S194 K199Y191-A197 HydrophobicContact CD2-CB 4.47Å; Y191-A197 HydrophobicContact CG-CB 4.28Å; S194-A197 WeakPolarHBondContact OG-CB 3.22Å; S194-A197 PolarHBondContact OG-N 3.23Å; A197-K199 PolarHBondContact O-N 3.22Å
198K91.5Very high91.4Very high73 Ų7360 Ų6032%0.31734%0.336SS..  trans-58129.5-179.7169.4175.9-69.7178.20111.6V189 D190 P192 S194 F200V189-K198 HydrophobicContact CG1-CD 4.12Å; V189-K198 HydrophobicContact CG1-CG 3.8Å; D190-K198 WeakPolarHBondContact O-CA 3.17Å; P192-K198 WeakPolarHBondContact O-CE 3.42Å; P192-K198 PolarHBondContact O-NZ 3.12Å; S194-K198 WeakPolarHBondContact O-CB 3.4Å; S194-K198 PolarHBondContact O-N 3.43Å; K198-F200 HydrophobicContact CD-CE2 3.55Å; K198-F200 HydrophobicContact CD-CZ 3.59Å; K198-F200 HydrophobicContact CG-CD2 4.18Å; K198-F200 HydrophobicContact CG-CE2 3.67Å; K198-F200 HydrophobicContact CG-CZ 4.11Å
199K94.2Very high89.4Confident40 Ų4064.6 Ų64.617%0.17436%0.364CS..EExtended strand (participates in β ladder)trans-125.5136.3175.8-58.5-59.7-173.21750109.4M39 Y164 V189 D190 A197 F201M39-K199 HydrophobicContact SD-CD 3.88Å; Y164-K199 HydrophobicContact CE1-CD 4.27Å; Y164-K199 PolarHBondContact OH-NZ 2.98Å; V189-K199 WeakPolarHBondContact CA-O 3.29Å; D190-K199 HydrophobicContact CB-CB 4.48Å; D190-K199 PolarHBondContact N-O 3.49Å; D190-K199 PolarHBondContact O-N 3.29Å; D190-K199 VanDerWaalsContact O-N 3.11Å; A197-K199 PolarHBondContact O-N 3.22Å; K199-F201 HydrophobicContact CB-CD2 4.32Å; K199-F201 HydrophobicContact CB-CE2 3.63Å; K199-F201 HydrophobicContact CB-CZ 4.31Å
200F96.5Very high87.3Confident46 Ų4666 Ų6620%0.20239%0.388CS..EExtended strand (participates in β ladder)trans-106.7128.6177.1-68.2-94.2000109.4Q162 L163 P165 L171 M187 V189 K198Q162-F200 WeakPolarHBondContact CA-O 3.31Å; L163-F200 PolarHBondContact N-O 3.47Å; L163-F200 VanDerWaalsContact N-O 3.08Å; P165-F200 HydrophobicContact CG-CD1 4.38Å; P165-F200 HydrophobicContact CG-CD2 3.91Å; P165-F200 HydrophobicContact CG-CE1 4.48Å; P165-F200 HydrophobicContact CG-CE2 4.01Å; P165-F200 HydrophobicContact CG-CG 4.09Å; P165-F200 HydrophobicContact CG-CZ 4.28Å; L171-F200 HydrophobicContact CD2-CD1 4.49Å; L171-F200 HydrophobicContact CD2-CE1 4.41Å; M187-F200 HydrophobicContact CG-CD1 4.12Å; M187-F200 HydrophobicContact SD-CB 3.89Å; M187-F200 HydrophobicContact SD-CD1 4.06Å; V189-F200 HydrophobicContact CG1-CD1 4.36Å; V189-F200 HydrophobicContact CG1-CE1 4.25Å; V189-F200 HydrophobicContact CG2-CD1 3.62Å; V189-F200 HydrophobicContact CG2-CE1 3.8Å; K198-F200 HydrophobicContact CD-CE2 3.55Å; K198-F200 HydrophobicContact CD-CZ 3.59Å; K198-F200 HydrophobicContact CG-CD2 4.18Å; K198-F200 HydrophobicContact CG-CE2 3.67Å; K198-F200 HydrophobicContact CG-CZ 4.11Å
201F98.2Very high85Confident3 Ų370.3 Ų70.31%0.01342%0.416CS..EExtended strand (participates in β ladder)trans-123115.8175-64.7-91.7000109.3R42 A43 L46 V160 F161 Q162 M187 V188 D190 K199R42-F201 HydrophobicContact CB-CE1 4.21Å; R42-F201 HydrophobicContact CB-CZ 3.87Å; R42-F201 HydrophobicContact CG-CD2 4.47Å; R42-F201 HydrophobicContact CG-CE1 3.99Å; R42-F201 HydrophobicContact CG-CE2 3.79Å; R42-F201 HydrophobicContact CG-CZ 3.51Å; A43-F201 HydrophobicContact CB-CE1 4.43Å; L46-F201 HydrophobicContact CD1-CB 3.78Å; L46-F201 HydrophobicContact CD1-CD1 4.01Å; L46-F201 HydrophobicContact CD1-CD2 4.37Å; L46-F201 HydrophobicContact CD1-CG 3.82Å; V160-F201 HydrophobicContact CG1-CB 4.47Å; V160-F201 HydrophobicContact CG1-CD1 4.12Å; F161-F201 CarbonylContact O-C 3.52Å; F161-F201 VanDerWaalsContact O-CA 3.28Å; F161-F201 WeakPolarHBondContact O-CA 3.29Å; Q162-F201 HydrophobicContact CB-CD1 3.74Å; Q162-F201 HydrophobicContact CB-CE1 3.61Å; Q162-F201 HydrophobicContact CB-CZ 4.39Å; Q162-F201 HydrophobicContact CG-CD1 4.01Å; Q162-F201 HydrophobicContact CG-CE1 3.6Å; Q162-F201 HydrophobicContact CG-CZ 3.88Å; M187-F201 CarbonylContact C-O 3.55Å; M187-F201 WeakPolarHBondContact CA-O 3.48Å; M187-F201 VanDerWaalsContact SD-C 3.54Å; M187-F201 VanDerWaalsContact SD-O 3.35Å; V188-F201 HydrophobicContact CB-CB 4.26Å; V188-F201 PolarHBondContact N-O 3.26Å; V188-F201 PolarHBondContact O-N 2.99Å; D190-F201 WeakPolarHBondContact OD2-CE2 3.39Å; K199-F201 HydrophobicContact CB-CD2 4.32Å; K199-F201 HydrophobicContact CB-CE2 3.63Å; K199-F201 HydrophobicContact CB-CZ 4.31Å
202L98.1Very high83.1Confident0 Ų070.6 Ų70.60%043%0.427CS..EExtended strand (participates in β ladder)trans-85.8110.9170.617868.8000108.4L125 F146 V160 F161 L163 I174 M187 L204L125-L202 HydrophobicContact CD2-CD2 4.38Å; F146-L202 HydrophobicContact CZ-CD2 4.16Å; V160-L202 WeakPolarHBondContact CA-O 3.38Å; F161-L202 HydrophobicContact CB-CB 4.19Å; F161-L202 HydrophobicContact CD2-CB 4.45Å; F161-L202 HydrophobicContact CD2-CD2 4.2Å; F161-L202 HydrophobicContact CD2-CG 4.46Å; F161-L202 PolarHBondContact N-O 2.84Å; F161-L202 PolarHBondContact O-N 3.26Å; L163-L202 HydrophobicContact CD2-CB 3.97Å; I174-L202 HydrophobicContact CG2-CD2 3.75Å; M187-L202 HydrophobicContact CE-CB 3.72Å; M187-L202 HydrophobicContact CE-CD1 3.65Å; M187-L202 HydrophobicContact CE-CG 4.26Å; M187-L202 HydrophobicContact SD-CB 4.4Å; L202-L204 HydrophobicContact CD1-CD2 3.8Å; L202-L204 HydrophobicContact CD1-CG 4.44Å; L202-L204 HydrophobicContact CD2-CD1 4.03Å; L202-L204 HydrophobicContact CD2-CD2 4.18Å; L202-L204 HydrophobicContact CD2-CG 4.16Å; L202-L204 HydrophobicContact CG-CD1 4.33Å; L202-L204 HydrophobicContact CG-CD2 3.81Å; L202-L204 HydrophobicContact CG-CG 3.9Å
203C98.1Very high81.4Confident15 Ų1572.5 Ų72.510%0.10144%0.439CS..EExtended strand (participates in β ladder)trans-101.3113.6178.9-58.20000109.5G185 G186G185-C203 CarbonylContact C-O 3.54Å; G185-C203 WeakPolarHBondContact CA-O 3.45Å; G186-C203 PolarHBondContact N-O 3.21Å; G186-C203 PolarHBondContact O-N 2.95Å
204L97.9Very high80.1Confident1 Ų174.1 Ų74.11%0.00544%0.438CS..EExtended strand (participates in β ladder)trans-114.4149.5-177.6-58.1-177.7000111.5F146 R158 A159 F161 A178 M179 F183 S184 L202F146-L204 HydrophobicContact CD1-CD1 4.06Å; F146-L204 HydrophobicContact CE1-CD1 3.63Å; F146-L204 HydrophobicContact CZ-CD1 4.42Å; R158-L204 CarbonylContact C-O 3.58Å; R158-L204 VanDerWaalsContact CA-O 3.23Å; R158-L204 WeakPolarHBondContact CA-O 3.45Å; A159-L204 HydrophobicContact CB-CB 4.41Å; A159-L204 PolarHBondContact N-O 3.23Å; A159-L204 PolarHBondContact O-N 3.17Å; F161-L204 HydrophobicContact CD2-CD1 4.28Å; F161-L204 HydrophobicContact CE2-CD1 3.85Å; F161-L204 HydrophobicContact CE2-CG 4.43Å; A178-L204 HydrophobicContact CB-CD1 3.7Å; A178-L204 HydrophobicContact CB-CD2 4.08Å; M179-L204 HydrophobicContact CE-CD2 4.37Å; F183-L204 HydrophobicContact CB-CB 4.11Å; F183-L204 HydrophobicContact CB-CD1 4.18Å; F183-L204 HydrophobicContact CB-CD2 4.21Å; F183-L204 HydrophobicContact CB-CG 4.41Å; F183-L204 HydrophobicContact CD1-CB 3.61Å; F183-L204 HydrophobicContact CD1-CD1 4.15Å; F183-L204 HydrophobicContact CD1-CG 4.47Å; F183-L204 HydrophobicContact CD2-CD1 4.04Å; F183-L204 HydrophobicContact CE1-CB 4.21Å; F183-L204 HydrophobicContact CE2-CD1 4.43Å; F183-L204 HydrophobicContact CG-CB 3.99Å; F183-L204 HydrophobicContact CG-CD1 3.87Å; F183-L204 HydrophobicContact CG-CG 4.42Å; S184-L204 CarbonylContact O-C 3.49Å; S184-L204 VanDerWaalsContact O-CA 3.28Å; S184-L204 WeakPolarHBondContact O-CA 3.44Å; L202-L204 HydrophobicContact CD1-CD2 3.8Å; L202-L204 HydrophobicContact CD1-CG 4.44Å; L202-L204 HydrophobicContact CD2-CD1 4.03Å; L202-L204 HydrophobicContact CD2-CD2 4.18Å; L202-L204 HydrophobicContact CD2-CG 4.16Å; L202-L204 HydrophobicContact CG-CD1 4.33Å; L202-L204 HydrophobicContact CG-CD2 3.81Å; L202-L204 HydrophobicContact CG-CG 3.9Å
205F96.6Very high78.6Confident75 Ų7575.1 Ų75.133%0.32946%0.456SS..EExtended strand (participates in β ladder)trans-119.1125.7176.9-51.1-89.2000109.9R158 F183 S184R158-F205 HydrophobicContact CG-CD1 3.76Å; R158-F205 HydrophobicContact CG-CE1 4.07Å; F183-F205 WeakPolarHBondContact CA-O 3.29Å; F183-F205 WeakPolarHBondContact CD1-O 3.4Å; S184-F205 PolarHBondContact N-O 3.35Å; S184-F205 PolarHBondContact O-N 2.8Å
206A94.4Very high77.2Confident3 Ų378.2 Ų78.23%0.02546%0.463CS..SBendtrans-90.1116.2177.200000110.2Y150 L153 G156 S157 F183Y150-A206 HydrophobicContact CD2-CB 4.33Å; Y150-A206 HydrophobicContact CE2-CB 4.3Å; L153-A206 HydrophobicContact CB-CB 3.83Å; L153-A206 HydrophobicContact CD1-CB 4.03Å; G156-A206 WeakPolarHBondContact CA-O 3.39Å; G156-A206 PolarHBondContact N-O 3.01Å; S157-A206 PolarHBondContact O-N 2.96Å; F183-A206 HydrophobicContact CD1-CB 4.4Å; F183-A206 HydrophobicContact CE1-CB 3.99Å
207G83.6Confident75.9Confident16 Ų1672.4 Ų72.417%0.16546%0.458CS..SBendtrans84.9149-176.800000113.7Y150Y150-G207 WeakPolarHBondContact OH-CA 3.44Å; Y150-G207 PolarHBondContact OH-N 3.48Å
208G66.6Low73.9Confident65 Ų6575.4 Ų75.467%0.6748%0.477SS*.  trans-78.1137.2174.200000111.2G210G208-G210 VanDerWaalsContact C-N 3.29Å; G208-G210 PolarHBondContact O-N 2.97Å
209T54.5Low71.7Confident142 Ų14281.5 Ų81.587%0.87151%0.506SS*.  trans-61.595.3163.351.10000108V211T209-V211 PolarHBondContact O-N 3.07Å
210G51.5Low69.2Low76 Ų7685.6 Ų85.678%0.78454%0.535SS*.  trans-74.367-18000000111.9G208G208-G210 VanDerWaalsContact C-N 3.29Å; G208-G210 PolarHBondContact O-N 2.97Å
211V47.1Very low66.4Low126 Ų12688.5 Ų88.576%0.76456%0.561SS**  trans-130.694.3148.7-172.60000105.7T209 P213T209-V211 PolarHBondContact O-N 3.07Å; V211-P213 WeakPolarHBondContact O-CD 3.26Å
212L52.2Low63.5Low164 Ų16494 Ų9486%0.85959%0.59SS**PPolyproline II helixtrans-55.9125.4162.6-90.9129.4000106.8K214L212-K214 PolarHBondContact O-N 3.21Å
213P57.9Low60.4Low111 Ų111104 Ų10472%0.72163%0.628SS**PPolyproline II helixtrans-55.9135.3173.620.7-29.2000108.4V211 G215V211-P213 WeakPolarHBondContact O-CD 3.26Å; P213-G215 PolarHBondContact O-N 2.86Å; P213-G215 VanDerWaalsContact O-N 3.07Å
214K63.2Low57.7Low199 Ų199110 Ų11087%0.86566%0.664SS**PPolyproline II helixtrans-52.5121.6170.6-77.8-178.4177.2178.80107.1L212 L216L212-K214 PolarHBondContact O-N 3.21Å; K214-L216 PolarHBondContact O-N 3.05Å
215G58.7Low54.6Low68 Ų68116.9 Ų116.970%0.70171%0.706SS**PPolyproline II helixtrans-54.8128.7175.400000109.1P213 G217P213-G215 PolarHBondContact O-N 2.86Å; P213-G215 VanDerWaalsContact O-N 3.07Å; G215-G217 PolarHBondContact O-N 3.26Å
216L51.6Low51.9Low184 Ų184117.1 Ų117.196%0.96372%0.722SS**SBendtrans-61.7121.1172-95.487.7000108.4K214K214-L216 PolarHBondContact O-N 3.05Å
217G54.5Low49.3Very low73 Ų73125.1 Ų125.175%0.75376%0.764SS**SBendtrans110.866.4172.600000115.1G215G215-G217 PolarHBondContact O-N 3.26Å
218S44.3Very low46.8Very low104 Ų104132.9 Ų132.973%0.72780%0.796SS**  trans179.982.1138.2400000108.8T220S218-T220 PolarHBondContact O-N 3.41Å
219E46.6Very low45.3Very low200 Ų200136.3 Ų136.394%0.93580%0.804SS**  trans-67.3103.9157.1-65.1-154.2163.500107.6
220T40.6Very low44.2Very low127 Ų127138 Ų13878%0.77980%0.802SS**  trans-115.7106.7154.629.30000106.7S218 D222S218-T220 PolarHBondContact O-N 3.41Å; T220-D222 PolarHBondContact O-N 2.99Å
221S39.1Very low43.2Very low107 Ų107143.8 Ų143.875%0.74880%0.802SS**  trans-55.4118.816345.20000109.5
222D35.6Very low42.9Very low118 Ų118143.2 Ų143.263%0.63180%0.803SS**  173.1139.5109.7-104.9-1.9000114.6T220T220-D222 PolarHBondContact O-N 2.99Å
223R33.9Very low42.3Very low210 Ų210138 Ų13879%0.79279%0.789SS**  trans74106.6141.9-64.4168.8-162.1-152.6-2120.5V225R223-V225 PolarHBondContact O-N 3.42Å
224T40.6Very low41.2Very low141 Ų141141.5 Ų141.587%0.86580%0.796SS**  3104.4129.73.80000116.5
225V33.4Very low39.9Very low146 Ų146141.3 Ų141.389%0.88579%0.79SS**  trans-150.2133.7135.2-173.60000108.9R223R223-V225 PolarHBondContact O-N 3.42Å
226A39Very low38.9Very low80 Ų80143.5 Ų143.566%0.66179%0.793SS**  trans-59.2155.5175.700000114.3Q228A226-Q228 PolarHBondContact O-N 3.28Å
227N41.2Very low38Very low170 Ų170144.2 Ų144.291%0.90978%0.783SS**  trans38.575.2154.6-84.9-11.1000116.8
228Q29.9Very low37.1Very low180 Ų180150.6 Ų150.684%0.84179%0.79SS**  trans-149113151.3-129.7177.212.300110.2A226 Q230A226-Q228 PolarHBondContact O-N 3.28Å; Q228-Q230 PolarHBondContact O-N 3.07Å
229V35.9Very low36.7Very low136 Ų136149.4 Ų149.482%0.82478%0.782SS**  trans-65.5103.7167177.20000107Y231V229-Y231 PolarHBondContact O-N 2.84Å; V229-Y231 VanDerWaalsContact O-N 3.09Å
230Q31.6Very low36.8Very low178 Ų178147.9 Ų147.983%0.83278%0.78SS**  trans-69.1105.1164.4-82.6-170.5-13.900108Q228 S232Q228-Q230 PolarHBondContact O-N 3.07Å; Q230-S232 PolarHBondContact O-N 3.41Å
231Y30.7Very low36.8Very low198 Ų198149.4 Ų149.478%0.77678%0.78SS**  trans-66.694.2173-156.4-92.3000108.5V229 G233V229-Y231 PolarHBondContact O-N 2.84Å; V229-Y231 VanDerWaalsContact O-N 3.09Å; Y231-G233 PolarHBondContact O-N 3.35Å
232S40.5Very low37.1Very low113 Ų113154.8 Ų154.879%0.7979%0.79SS**  trans-70.181.9165.553.90000108.1Q230 Q234Q230-S232 PolarHBondContact O-N 3.41Å; S232-Q234 PolarHBondContact O-N 3.5Å
233G39.5Very low37.4Very low56 Ų56151.6 Ų151.658%0.57779%0.786SS**  trans-68.260170.800000111.8Y231 R235Y231-G233 PolarHBondContact O-N 3.35Å; G233-R235 VanDerWaalsContact C-N 3.33Å
234Q35.8Very low37.9Very low183 Ų183151.8 Ų151.886%0.85579%0.792SS**  trans-98.572.1155.8-109.8178.2-4.400108S232 C236S232-Q234 PolarHBondContact O-N 3.5Å; Q234-C236 VanDerWaalsContact C-N 3.33Å; Q234-C236 PolarHBondContact O-N 3.19Å
235R35.1Very low38.1Very low196 Ų196149.2 Ų149.274%0.7478%0.78SS**  trans-50.8105.8150.2-81.8175.5169.4166.5-6.1106.4G233 R237G233-R235 VanDerWaalsContact C-N 3.33Å; R235-R237 HydrophobicContact CB-CG 4.33Å; R235-R237 PolarHBondContact O-N 2.86Å
236C37.7Very low39.1Very low114 Ų114146.5 Ų146.577%0.7777%0.773SS**  trans-60.380.8153.9-78.10000107Q234 F238Q234-C236 VanDerWaalsContact C-N 3.33Å; Q234-C236 PolarHBondContact O-N 3.19Å; C236-F238 VanDerWaalsContact C-N 3.31Å; C236-F238 PolarHBondContact O-N 3.49Å
237R32.5Very low39.9Very low198 Ų198149.5 Ų149.575%0.74777%0.771SS**  trans-62.1102.5161.7-76.7179.1169.5164.9-2.9104.7R235 S239R235-R237 HydrophobicContact CB-CG 4.33Å; R235-R237 PolarHBondContact O-N 2.86Å; R237-S239 PolarHBondContact O-N 3.24Å
238F36.5Very low40.8Very low207 Ų207150.3 Ų150.391%0.90877%0.767SS**  trans-6177.7151.2-84.9-88.7000107C236 N240C236-F238 VanDerWaalsContact C-N 3.31Å; C236-F238 PolarHBondContact O-N 3.49Å; F238-N240 PolarHBondContact O-N 3.27Å
239S36.3Very low42.7Very low79 Ų79143.5 Ų143.555%0.55274%0.744SS**  trans-75.1116.6164.962.60000106.3R237 M241R237-S239 PolarHBondContact O-N 3.24Å; S239-M241 PolarHBondContact O-N 3.23Å
240N46.6Very low44.7Very low169 Ų169143.6 Ų143.690%0.90473%0.73SS**  trans-37.198.9163.2-80.9-29.5000111.3F238F238-N240 PolarHBondContact O-N 3.27Å
241M40.6Very low46.8Very low158 Ų158140.9 Ų140.978%0.77872%0.721SS**  trans-10478.7169.9-91.1178.363.300109.3S239 G243S239-M241 PolarHBondContact O-N 3.23Å; M241-G243 VanDerWaalsContact C-N 3.31Å; M241-G243 PolarHBondContact O-N 3.19Å
242K45.4Very low49Very low220 Ų220135.9 Ų135.996%0.95770%0.701SS**  trans-58.499.3144.7-101.2176.5171.2174.30106.8
243G42.2Very low50.9Low52 Ų52132.9 Ų132.954%0.53668%0.676SS.*  trans-172.190.4-176.900000116.7M241M241-G243 VanDerWaalsContact C-N 3.31Å; M241-G243 PolarHBondContact O-N 3.19Å
244K45.7Very low52.8Low213 Ų213132.9 Ų132.993%0.92666%0.661SS**  trans52.6113.7150.2-61.8178.6-178.1173.70118.7A246K244-A246 PolarHBondContact O-N 3.47Å
245S43.6Very low55.1Low87 Ų87130.7 Ų130.761%0.60865%0.651SS**  trans-43.1128.6169.6177.20000113.7K247S245-K247 PolarHBondContact O-N 3.37Å; S245-K247 PolarHBondContact OG-N 3.48Å
246A55.5Low57.3Low90 Ų90125.1 Ų125.174%0.74463%0.632SS**G310 helixtrans-57.6-0.817500000115.4K244 K248K244-A246 PolarHBondContact O-N 3.47Å; A246-K248 VanDerWaalsContact C-N 3.34Å; A246-K248 PolarHBondContact O-N 2.99Å
247K55.5Low59.7Low143 Ų143121.3 Ų121.362%0.62260%0.603SS**G310 helixtrans-83.28.1-176.9-69.9-177.6176.61760115.3S245 W252S245-K247 PolarHBondContact O-N 3.37Å; S245-K247 PolarHBondContact OG-N 3.48Å; K247-W252 WeakPolarHBondContact O-CZ3 3.23Å
248K59.9Low62.2Low187 Ų187116.3 Ų116.381%0.81359%0.588SS**G310 helixtrans-129.14.9-178.2-66.2-172.1-179.6-178.60115.3A246A246-K248 VanDerWaalsContact C-N 3.34Å; A246-K248 PolarHBondContact O-N 2.99Å
249G70.3Confident64.4Low36 Ų36113.5 Ų113.537%0.37157%0.571SS.*SBendtrans-7615917900000113.3D251 W252 I253G249-D251 PolarHBondContact O-N 3.3Å; G249-W252 WeakPolarHBondContact O-CB 3.43Å; G249-W252 PolarHBondContact O-N 3.49Å; G249-I253 WeakPolarHBondContact O-CG1 3.15Å; G249-I253 PolarHBondContact O-N 2.92Å
250R77Confident66.7Low138 Ų138115.5 Ų115.552%0.52157%0.566SS.*Hα-helixtrans-55.9-40.6173.4177174.4174.5-114.31.8111.5W252 I253 M254 T274R250-W252 VanDerWaalsContact C-N 3.35Å; R250-W252 PolarHBondContact O-N 3.43Å; R250-I253 WeakPolarHBondContact O-CB 3.5Å; R250-I253 PolarHBondContact O-N 2.89Å; R250-I253 VanDerWaalsContact O-N 3.09Å; R250-M254 HydrophobicContact CG-CG 4.5Å; R250-M254 WeakPolarHBondContact O-CG 3.47Å; R250-M254 PolarHBondContact O-N 2.97Å; R250-T274 WeakPolarHBondContact CD-O 2.95Å; R250-T274 WeakPolarHBondContact CG-O 3.41Å
251D76.6Confident68.5Low122 Ų122112.4 Ų112.465%0.65254%0.542SS*.Hα-helixtrans-64.4-41.8-178-52.7-31.3000111.1G249 I253 M254 E255G249-D251 PolarHBondContact O-N 3.3Å; D251-I253 VanDerWaalsContact C-N 3.3Å; D251-I253 PolarHBondContact O-N 3.15Å; D251-M254 PolarHBondContact O-N 3.14Å; D251-E255 WeakPolarHBondContact O-CB 3.19Å; D251-E255 PolarHBondContact O-N 3.03Å
252W76Confident70.5Confident92 Ų92114.2 Ų114.235%0.34854%0.54SS..Hα-helixtrans-60.8-36.4173-179.483.4000113K247 G249 R250 K256K247-W252 WeakPolarHBondContact O-CZ3 3.23Å; G249-W252 WeakPolarHBondContact O-CB 3.43Å; G249-W252 PolarHBondContact O-N 3.49Å; R250-W252 VanDerWaalsContact C-N 3.35Å; R250-W252 PolarHBondContact O-N 3.43Å; W252-K256 HydrophobicContact CH2-CD 3.78Å; W252-K256 HydrophobicContact CZ2-CD 4.04Å; W252-K256 HydrophobicContact CZ3-CD 4.13Å; W252-K256 VanDerWaalsContact O-CB 3.31Å; W252-K256 WeakPolarHBondContact O-CB 3.36Å; W252-K256 PolarHBondContact O-N 2.66Å; W252-K256 VanDerWaalsContact O-N 3.1Å
253I79.9Confident72.2Confident50 Ų50108.9 Ų108.926%0.25652%0.519SS..Hα-helixtrans-68.9-41.2176.9-62.7170000110.4G249 R250 D251 K256 K257 T274G249-I253 WeakPolarHBondContact O-CG1 3.15Å; G249-I253 PolarHBondContact O-N 2.92Å; R250-I253 WeakPolarHBondContact O-CB 3.5Å; R250-I253 PolarHBondContact O-N 2.89Å; R250-I253 VanDerWaalsContact O-N 3.09Å; D251-I253 VanDerWaalsContact C-N 3.3Å; D251-I253 PolarHBondContact O-N 3.15Å; I253-K256 PolarHBondContact O-N 3.13Å; I253-K257 WeakPolarHBondContact O-CG 3.33Å; I253-K257 PolarHBondContact O-N 3.15Å; I253-T274 HydrophobicContact CG2-CG2 4Å
254M81.2Confident74.1Confident57 Ų57109.8 Ų109.828%0.28153%0.528SS..Hα-helixtrans-64.9-47.3178.8-68.5-61.9-68.100111.2R250 D251 K256 K257 E258 D270 T274R250-M254 HydrophobicContact CG-CG 4.5Å; R250-M254 WeakPolarHBondContact O-CG 3.47Å; R250-M254 PolarHBondContact O-N 2.97Å; D251-M254 PolarHBondContact O-N 3.14Å; M254-K256 VanDerWaalsContact C-N 3.3Å; M254-K256 PolarHBondContact O-N 3.31Å; M254-K257 WeakPolarHBondContact O-CB 3.35Å; M254-K257 PolarHBondContact O-N 3.37Å; M254-K257 VanDerWaalsContact O-N 3.13Å; M254-E258 PolarHBondContact O-N 3.22Å; M254-D270 HydrophobicContact CE-CB 4.2Å; M254-D270 WeakPolarHBondContact CE-OD2 3.47Å; M254-D270 HydrophobicContact SD-CB 4.48Å; M254-T274 HydrophobicContact SD-CG2 4.07Å
255E82.4Confident75.8Confident136 Ų136105.3 Ų105.364%0.63651%0.509SS*.Hα-helixtrans-60.1-41.1177.2-169.2-178.2-173.800111.6D251 K257 E258 R259D251-E255 WeakPolarHBondContact O-CB 3.19Å; D251-E255 PolarHBondContact O-N 3.03Å; E255-K257 PolarHBondContact O-N 3.04Å; E255-E258 PolarHBondContact O-N 2.9Å; E255-R259 WeakPolarHBondContact O-CB 3.48Å; E255-R259 PolarHBondContact O-N 3.35Å
256K82.9Confident77.6Confident79 Ų79105.2 Ų105.234%0.34352%0.521SS..Hα-helixtrans-66-37.9176.4-170.6177.3-177.2178.50112.8W252 I253 M254 R260W252-K256 HydrophobicContact CH2-CD 3.78Å; W252-K256 HydrophobicContact CZ2-CD 4.04Å; W252-K256 HydrophobicContact CZ3-CD 4.13Å; W252-K256 VanDerWaalsContact O-CB 3.31Å; W252-K256 WeakPolarHBondContact O-CB 3.36Å; W252-K256 PolarHBondContact O-N 2.66Å; W252-K256 VanDerWaalsContact O-N 3.1Å; I253-K256 PolarHBondContact O-N 3.13Å; M254-K256 VanDerWaalsContact C-N 3.3Å; M254-K256 PolarHBondContact O-N 3.31Å; K256-R260 PolarHBondContact O-N 2.81Å
257K87.4Confident79.2Confident35 Ų35102.8 Ų102.815%0.15250%0.497CS..Hα-helixtrans-66.1-46.2175.6-80.8-168.5176-165.50111I253 M254 E255 R259 R260 R261 V267 R268 P269 D270I253-K257 WeakPolarHBondContact O-CG 3.33Å; I253-K257 PolarHBondContact O-N 3.15Å; M254-K257 WeakPolarHBondContact O-CB 3.35Å; M254-K257 PolarHBondContact O-N 3.37Å; M254-K257 VanDerWaalsContact O-N 3.13Å; E255-K257 PolarHBondContact O-N 3.04Å; K257-R259 PolarHBondContact O-N 2.93Å; K257-R260 PolarHBondContact O-N 3.29Å; K257-R260 VanDerWaalsContact O-N 3.14Å; K257-R261 PolarHBondContact O-N 3.41Å; K257-V267 HydrophobicContact CB-CG1 3.77Å; K257-V267 HydrophobicContact CD-CG1 3.83Å; K257-V267 HydrophobicContact CG-CG1 3.57Å; K257-R268 PolarHBondContact NZ-O 2.97Å; K257-P269 PolarHBondContact NZ-O 3.11Å; K257-D270 WeakPolarHBondContact CD-OD1 3.46Å; K257-D270 WeakPolarHBondContact CE-OD1 3.44Å; K257-D270 IonicContact NZ-OD1 2.72Å; K257-D270 PolarHBondContact NZ-OD1 3.36Å
258E84.5Confident80.4Confident92 Ų92105.8 Ų105.843%0.4351%0.505SS..Hα-helixtrans-61.7-44.6179.4-164.4-176.2159.600111.6M254 E255 R260 R261 R262M254-E258 PolarHBondContact O-N 3.22Å; E255-E258 PolarHBondContact O-N 2.9Å; E258-R260 VanDerWaalsContact C-N 3.27Å; E258-R260 PolarHBondContact O-N 2.95Å; E258-R261 WeakPolarHBondContact O-CB 3.36Å; E258-R261 PolarHBondContact O-N 3.18Å; E258-R261 VanDerWaalsContact O-N 3.12Å; E258-R262 PolarHBondContact O-N 3.16Å; E258-R262 IonicContact OE1-CZ 3.13Å; E258-R262 IonicContact OE1-NE 2.89Å; E258-R262 IonicContact OE1-NH2 2.64Å; E258-R262 PolarHBondContact OE1-NH2 2.81Å
259R83.1Confident81.3Confident148 Ų148101.8 Ų101.856%0.55850%0.498SS*.Hα-helixtrans-58.2-38.5174.2-170177.167.2174.82.8112.7E255 K257 R262 Q263E255-R259 WeakPolarHBondContact O-CB 3.48Å; E255-R259 PolarHBondContact O-N 3.35Å; K257-R259 PolarHBondContact O-N 2.93Å; R259-R262 PolarHBondContact O-N 3.47Å; R259-Q263 VanDerWaalsContact O-CG 3.32Å; R259-Q263 WeakPolarHBondContact O-CG 3.24Å; R259-Q263 PolarHBondContact O-N 2.77Å
260R83.5Confident82Confident121 Ų121103.1 Ų103.146%0.45750%0.496SS..Hα-helixtrans-71.9-33.4177.1-80.8-169.8172.5-152.2-0.6112.9K256 K257 E258 Q263 G264 K265 V267K256-R260 PolarHBondContact O-N 2.81Å; K257-R260 PolarHBondContact O-N 3.29Å; K257-R260 VanDerWaalsContact O-N 3.14Å; E258-R260 VanDerWaalsContact C-N 3.27Å; E258-R260 PolarHBondContact O-N 2.95Å; R260-Q263 CarbonylContact O-C 3.51Å; R260-Q263 PolarHBondContact O-N 3.27Å; R260-G264 PolarHBondContact O-N 3.05Å; R260-K265 HydrophobicContact CB-CB 4.49Å; R260-K265 PolarHBondContact O-N 2.98Å; R260-K265 VanDerWaalsContact O-N 3.08Å; R260-V267 HydrophobicContact CB-CG2 3.4Å; R260-V267 VanDerWaalsContact CB-CG2 3.4Å
261R86.1Confident82.3Confident104 Ų104100.2 Ų100.239%0.39249%0.494SS..Hα-helixtrans-62.7-45171.5-69.5176.6-173.81405.7111K257 E258 Q263 G264 V267 D270K257-R261 PolarHBondContact O-N 3.41Å; E258-R261 WeakPolarHBondContact O-CB 3.36Å; E258-R261 PolarHBondContact O-N 3.18Å; E258-R261 VanDerWaalsContact O-N 3.12Å; R261-Q263 PolarHBondContact O-N 3.16Å; R261-G264 PolarHBondContact O-N 3.38Å; R261-V267 HydrophobicContact CG-CB 4.11Å; R261-V267 HydrophobicContact CG-CG2 4.17Å; R261-D270 IonicContact CZ-OD2 2.69Å; R261-D270 IonicContact NH1-OD2 3.7Å; R261-D270 PolarHBondContact NH1-OD2 3.43Å; R261-D270 IonicContact NH2-OD1 3.86Å; R261-D270 PolarHBondContact NH2-OD1 3.21Å; R261-D270 VanDerWaalsContact NH2-OD1 3.14Å; R261-D270 IonicContact NH2-OD2 3.94Å; R261-D270 PolarHBondContact NH2-OD2 3.04Å
262R82.7Confident82.3Confident197 Ų197102.5 Ų102.574%0.74350%0.498SS*.Hα-helixtrans-59.9-28.7174.6-67.4-174.7-166.8176.94.9113E258 R259 G264E258-R262 PolarHBondContact O-N 3.16Å; E258-R262 IonicContact OE1-CZ 3.13Å; E258-R262 IonicContact OE1-NE 2.89Å; E258-R262 IonicContact OE1-NH2 2.64Å; E258-R262 PolarHBondContact OE1-NH2 2.81Å; R259-R262 PolarHBondContact O-N 3.47Å; R262-G264 VanDerWaalsContact C-N 3.27Å; R262-G264 PolarHBondContact O-N 3.5Å
263Q80.8Confident82.2Confident107 Ų107104.8 Ų104.850%0.551%0.508SS..THydrogen-bonded Turntrans-869.7175.8-67.5174.83.400113.6R259 R260 R261 K265R259-Q263 VanDerWaalsContact O-CG 3.32Å; R259-Q263 WeakPolarHBondContact O-CG 3.24Å; R259-Q263 PolarHBondContact O-N 2.77Å; R260-Q263 CarbonylContact O-C 3.51Å; R260-Q263 PolarHBondContact O-N 3.27Å; R261-Q263 PolarHBondContact O-N 3.16Å; Q263-K265 HydrophobicContact CB-CG 4.43Å; Q263-K265 PolarHBondContact O-N 3.47Å; Q263-K265 VanDerWaalsContact O-N 3.16Å
264G81.1Confident82.1Confident72 Ų72103.2 Ų103.274%0.74250%0.5SS*.THydrogen-bonded Turntrans67.911.5178.900000114.8R260 R261 R262R260-G264 PolarHBondContact O-N 3.05Å; R261-G264 PolarHBondContact O-N 3.38Å; R262-G264 VanDerWaalsContact C-N 3.27Å; R262-G264 PolarHBondContact O-N 3.5Å
265K81.8Confident81.7Confident119 Ų119102.4 Ų102.452%0.51751%0.507SS..  trans-85.5141.5-178.7-65.3-179179.3174.40109.9R260 Q263 V267R260-K265 HydrophobicContact CB-CB 4.49Å; R260-K265 PolarHBondContact O-N 2.98Å; R260-K265 VanDerWaalsContact O-N 3.08Å; Q263-K265 HydrophobicContact CB-CG 4.43Å; Q263-K265 PolarHBondContact O-N 3.47Å; Q263-K265 VanDerWaalsContact O-N 3.16Å; K265-V267 WeakPolarHBondContact O-CG2 3.42Å; K265-V267 PolarHBondContact O-N 3.44Å
266G81.9Confident81.3Confident84 Ų84104.6 Ų104.687%0.86651%0.509SS*.  trans-60.4121.6175.700000112.1
267V88.2Confident80.7Confident39 Ų39109.9 Ų109.924%0.23654%0.535CS..  trans-128134179-179.80000109.7K257 R260 R261 K265K257-V267 HydrophobicContact CB-CG1 3.77Å; K257-V267 HydrophobicContact CD-CG1 3.83Å; K257-V267 HydrophobicContact CG-CG1 3.57Å; R260-V267 HydrophobicContact CB-CG2 3.4Å; R260-V267 VanDerWaalsContact CB-CG2 3.4Å; R261-V267 HydrophobicContact CG-CB 4.11Å; R261-V267 HydrophobicContact CG-CG2 4.17Å; K265-V267 WeakPolarHBondContact O-CG2 3.42Å; K265-V267 PolarHBondContact O-N 3.44Å
268R82Confident80Confident207 Ų207119.1 Ų119.178%0.78157%0.569SS**PPolyproline II helixtrans-62.3141.2178.1-64.6-174.8-179-160.20.4111.7K257K257-R268 PolarHBondContact NZ-O 2.97Å
269P78.9Confident79.3Confident103 Ų103126 Ų12667%0.66959%0.591SS**PPolyproline II helixtrans-59.5155.6-179.921.9-30.9000112.5K257K257-P269 PolarHBondContact NZ-O 3.11Å
270D84.7Confident78.5Confident63 Ų63123.7 Ų123.734%0.33760%0.596SS.*PPolyproline II helixtrans-82.8127.1-177.3-61.1-33.8000109.8M254 K257 R261M254-D270 HydrophobicContact CE-CB 4.2Å; M254-D270 WeakPolarHBondContact CE-OD2 3.47Å; M254-D270 HydrophobicContact SD-CB 4.48Å; K257-D270 WeakPolarHBondContact CD-OD1 3.46Å; K257-D270 WeakPolarHBondContact CE-OD1 3.44Å; K257-D270 IonicContact NZ-OD1 2.72Å; K257-D270 PolarHBondContact NZ-OD1 3.36Å; R261-D270 IonicContact CZ-OD2 2.69Å; R261-D270 IonicContact NH1-OD2 3.7Å; R261-D270 PolarHBondContact NH1-OD2 3.43Å; R261-D270 IonicContact NH2-OD1 3.86Å; R261-D270 PolarHBondContact NH2-OD1 3.21Å; R261-D270 VanDerWaalsContact NH2-OD1 3.14Å; R261-D270 IonicContact NH2-OD2 3.94Å; R261-D270 PolarHBondContact NH2-OD2 3.04Å
271T82.6Confident77.5Confident78 Ų78126.9 Ų126.948%0.47962%0.615SS.*  trans-118.7160.6177.366.30000109.9Y273 T274T271-Y273 PolarHBondContact O-N 2.91Å; T271-T274 PolarHBondContact N-OG1 3.19Å; T271-T274 VanDerWaalsContact N-OG1 3.1Å; T271-T274 WeakPolarHBondContact O-CB 2.97Å; T271-T274 PolarHBondContact O-N 3.35Å; T271-T274 PolarHBondContact O-OG1 3.42Å
272K76.6Confident76Confident169 Ų169134 Ų13474%0.73565%0.65SS**THydrogen-bonded Turntrans-57.9-12.3175.169.3-178.1-177.1-177.90114.6
273Y74.1Confident75.7Confident141 Ų141130.9 Ų130.955%0.55365%0.645SS**THydrogen-bonded Turntrans-99.84.4178.2-54.3-66.7000113.8T271 G275 R276T271-Y273 PolarHBondContact O-N 2.91Å; Y273-G275 PolarHBondContact O-N 3.02Å; Y273-R276 WeakPolarHBondContact O-CB 3.46Å; Y273-R276 PolarHBondContact O-N 3.03Å
274T77.8Confident75.4Confident16 Ų16132.1 Ų132.110%0.09865%0.652CS.*THydrogen-bonded Turntrans-64.7125.2-179-53.20000110.7R250 I253 M254 T271 R276R250-T274 WeakPolarHBondContact CD-O 2.95Å; R250-T274 WeakPolarHBondContact CG-O 3.41Å; I253-T274 HydrophobicContact CG2-CG2 4Å; M254-T274 HydrophobicContact SD-CG2 4.07Å; T271-T274 PolarHBondContact N-OG1 3.19Å; T271-T274 VanDerWaalsContact N-OG1 3.1Å; T271-T274 WeakPolarHBondContact O-CB 2.97Å; T271-T274 PolarHBondContact O-N 3.35Å; T271-T274 PolarHBondContact O-OG1 3.42Å; T274-R276 VanDerWaalsContact C-N 3.28Å; T274-R276 PolarHBondContact O-N 3.35Å
275G72.4Confident75.1Confident41 Ų41135.4 Ų135.442%0.42365%0.647SS.*THydrogen-bonded Turntrans80.10.6-178.400000115.1Y273Y273-G275 PolarHBondContact O-N 3.02Å
276R75.4Confident74.7Confident182 Ų182136.4 Ų136.469%0.68766%0.655SS**PPolyproline II helixtrans-81.8133.9175.3-162.3172.6-175177.70.8110.4Y273 T274 R278Y273-R276 WeakPolarHBondContact O-CB 3.46Å; Y273-R276 PolarHBondContact O-N 3.03Å; T274-R276 VanDerWaalsContact C-N 3.28Å; T274-R276 PolarHBondContact O-N 3.35Å; R276-R278 PolarHBondContact O-N 2.9Å
277Q69.9Low74.2Confident189 Ų189139.7 Ų139.788%0.88364%0.642SS**PPolyproline II helixtrans-65121.5176.6-159.2171.21.400109.1
278R72.9Confident73.3Confident229 Ų229146.4 Ų146.486%0.86467%0.669SS**PPolyproline II helixtrans-73.9136.5174.2-65.1-176.5178.5-170.1-3.6108R276R276-R278 PolarHBondContact O-N 2.9Å
279R69.2Low72.7Confident236 Ų236142.1 Ų142.189%0.89166%0.661SS**PPolyproline II helixtrans-64.6144.3173.5-68.5-174.6175.9-169.2-1.7108.8H281R279-H281 PolarHBondContact O-N 3.11Å
280P65.8Low72.2Confident101 Ų101145.1 Ų145.166%0.65666%0.66SS**PPolyproline II helixtrans-60.8133.1171.625.2-30.7000108.6F282P280-F282 PolarHBondContact O-N 3.28Å
281H61.9Low71.2Confident187 Ų187151.9 Ų151.987%0.86669%0.687SS**PPolyproline II helixtrans-77.5118.3165.8-137.7-48.2000105.6R279R279-H281 PolarHBondContact O-N 3.11Å
282F55.4Low70.1Confident254 Ų254158.6 Ų158.6100%1.11471%0.706SS**  trans-72.90160.9-65.4-82.9000108.3P280P280-F282 PolarHBondContact O-N 3.28Å

Retrieved 282 of 282 residues in 330.4 ms (Link to these results)

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