A0A2K6CSU6_MACNE 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 A0A2K6CSU6, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene BUD23, Length 281 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
1M32.5Very low61.8Low235 Ų235116.4 Ų116.4100%1.15862%0.617SS**  01100-69177.7-171.900107
2A33.9Very low63.7Low103 Ų103107.9 Ų107.985%0.85158%0.578SS**  trans-75.612416600000106.1
3S34.2Very low65.2Low97 Ų97101.4 Ų101.468%0.67855%0.545SS*.  trans-52.4145.2171.249.60000109.2G5S3-G5 PolarHBondContact O-N 3.41Å
4R48.8Very low66.5Low273 Ų27395.6 Ų95.6100%1.0352%0.516SS*.SBendtrans-63.636.2161.3-80.3-179.8162.4-178.8-4.6112
5G52.5Low67.8Low45 Ų4593.2 Ų93.246%0.46450%0.5SS..  trans-124.3141.7-167.400000110.8S3S3-G5 PolarHBondContact O-N 3.41Å
6R66.8Low68.7Low225 Ų22595.1 Ų95.185%0.84951%0.509SS*.  trans-9.5140.4175.3-68.5176.2-178178.6-0.7117.6
7R79.8Confident69.7Low90 Ų9093.3 Ų93.334%0.3450%0.496SS..  trans-50.9136.1172-79.9-176.9173.7-115.85.9111.1E9 H10 Y164 P165R7-E9 WeakPolarHBondContact CB-OE2 2.92Å; R7-E9 PolarHBondContact O-N 2.92Å; R7-E9 VanDerWaalsContact O-N 3.16Å; R7-H10 WeakPolarHBondContact O-CB 3.1Å; R7-H10 PolarHBondContact O-N 3.01Å; R7-Y164 PolarHBondContact NH1-O 3.21Å; R7-P165 PolarHBondContact NH2-O 2.99Å
8P83.6Confident70.6Confident43 Ų4390.3 Ų90.328%0.27948%0.477SS..G310 helixtrans-50.3-38.3177.3-31.538.3000113.8H10 G11 F17 W127P8-H10 PolarHBondContact O-N 3.14Å; P8-H10 VanDerWaalsContact O-N 3.11Å; P8-G11 PolarHBondContact O-N 3.12Å; P8-F17 HydrophobicContact CB-CD1 4.17Å; P8-F17 HydrophobicContact CB-CD2 4.38Å; P8-F17 HydrophobicContact CB-CE1 3.72Å; P8-F17 HydrophobicContact CB-CE2 3.94Å; P8-F17 HydrophobicContact CB-CG 4.5Å; P8-F17 HydrophobicContact CB-CZ 3.59Å; P8-F17 HydrophobicContact CG-CE1 4.19Å; P8-F17 HydrophobicContact CG-CZ 3.92Å; P8-W127 HydrophobicContact CB-CH2 3.58Å; P8-W127 HydrophobicContact CB-CZ2 3.55Å
9E85.6Confident71.5Confident14 Ų1489.5 Ų89.57%0.06547%0.473CS..G310 helixtrans-64.7-17.4-177.6-55.880.8-178.600112.8R7 Q126 W127 N130R7-E9 WeakPolarHBondContact CB-OE2 2.92Å; R7-E9 PolarHBondContact O-N 2.92Å; R7-E9 VanDerWaalsContact O-N 3.16Å; E9-Q126 HydrophobicContact CG-CG 4.12Å; E9-Q126 WeakPolarHBondContact OE1-CG 2.97Å; E9-Q126 PolarHBondContact OE1-NE2 3.43Å; E9-W127 HydrophobicContact CB-CE3 4.29Å; E9-W127 HydrophobicContact CB-CZ3 4.42Å; E9-W127 HydrophobicContact CG-CD2 3.82Å; E9-W127 HydrophobicContact CG-CE3 3.99Å; E9-W127 HydrophobicContact CG-CG 4.24Å; E9-W127 HydrophobicContact CG-CZ2 4.38Å; E9-W127 HydrophobicContact CG-CZ3 4.36Å; E9-N130 WeakPolarHBondContact CB-ND2 3.47Å; E9-N130 PolarHBondContact O-ND2 3.5Å
10H84.1Confident72.3Confident93 Ų9391.6 Ų91.643%0.43148%0.48SS..G310 helixtrans-91.6-8.3175.6-60.8-176.8000112.7R7 P8 E166R7-H10 WeakPolarHBondContact O-CB 3.1Å; R7-H10 PolarHBondContact O-N 3.01Å; P8-H10 PolarHBondContact O-N 3.14Å; P8-H10 VanDerWaalsContact O-N 3.11Å; H10-E166 IonicContact CE1-OE1 3.04Å; H10-E166 PolarHBondContact CE1-OE1 2.99Å; H10-E166 VanDerWaalsContact CE1-OE1 3.22Å; H10-E166 IonicContact CE1-OE2 3.74Å; H10-E166 IonicContact NE2-OE1 3.94Å; H10-E166 PolarHBondContact NE2-OE1 2.82Å; H10-E166 IonicContact NE2-OE2 3.48Å; H10-E166 PolarHBondContact NE2-OE2 2.76Å
11G78.1Confident73Confident62 Ų6293.3 Ų93.364%0.63948%0.483SS*.SBendtrans-83.5-16.9-178.500000114.2P8P8-G11 PolarHBondContact O-N 3.12Å
12G84.3Confident75.6Confident15 Ų1585 Ų8516%0.15544%0.442CS..SBendtrans135.2-168.4-178.400000112.4W127 N132G12-W127 WeakPolarHBondContact O-CZ3 2.94Å; G12-N132 VanDerWaalsContact C-OD1 3.26Å; G12-N132 WeakPolarHBondContact CA-OD1 3.5Å
13P83.3Confident78.2Confident23 Ų2380.1 Ų80.115%0.14940%0.402CS..  trans-58.6142.3177.3-20.629.6000113.2E15 L16 F17 N132P13-E15 VanDerWaalsContact C-N 3.28Å; P13-E15 HydrophobicContact CB-CG 4.36Å; P13-E15 WeakPolarHBondContact CB-OE1 3.49Å; P13-E15 VanDerWaalsContact CB-OE2 3.23Å; P13-E15 WeakPolarHBondContact CB-OE2 3.41Å; P13-E15 PolarHBondContact O-N 2.7Å; P13-L16 HydrophobicContact CB-CD1 4.45Å; P13-L16 HydrophobicContact CB-CG 4.36Å; P13-L16 HydrophobicContact CG-CD1 4.03Å; P13-L16 HydrophobicContact CG-CG 4.47Å; P13-L16 PolarHBondContact O-N 2.74Å; P13-F17 PolarHBondContact O-N 2.78Å; P13-N132 WeakPolarHBondContact CA-ND2 3.28Å; P13-N132 HydrophobicContact CG-CB 3.74Å
14P83.6Confident80.7Confident21 Ų2180.7 Ų80.714%0.13639%0.389CS..Hα-helixtrans-59.2-36-178.421.8-32000113.5L16 F17 Y18 I83 W127P14-L16 PolarHBondContact O-N 2.99Å; P14-F17 PolarHBondContact O-N 2.86Å; P14-Y18 PolarHBondContact O-N 2.88Å; P14-I83 HydrophobicContact CB-CG2 3.88Å; P14-I83 HydrophobicContact CG-CD1 4.37Å; P14-I83 HydrophobicContact CG-CG2 3.64Å; P14-W127 HydrophobicContact CB-CD2 3.83Å; P14-W127 HydrophobicContact CB-CE3 3.61Å; P14-W127 HydrophobicContact CB-CG 4.43Å; P14-W127 HydrophobicContact CB-CH2 4.26Å; P14-W127 HydrophobicContact CB-CZ2 4.48Å; P14-W127 HydrophobicContact CB-CZ3 3.82Å; P14-W127 HydrophobicContact CG-CD2 4.32Å; P14-W127 HydrophobicContact CG-CE3 3.94Å; P14-W127 HydrophobicContact CG-CZ3 4.46Å
15E85.6Confident82.5Confident59 Ų5972.5 Ų72.528%0.27636%0.36SS..Hα-helixtrans-66.5-22.5177.968.3-84.5-16100113.3P13 I83P13-E15 VanDerWaalsContact C-N 3.28Å; P13-E15 HydrophobicContact CB-CG 4.36Å; P13-E15 WeakPolarHBondContact CB-OE1 3.49Å; P13-E15 VanDerWaalsContact CB-OE2 3.23Å; P13-E15 WeakPolarHBondContact CB-OE2 3.41Å; P13-E15 PolarHBondContact O-N 2.7Å; E15-I83 HydrophobicContact CB-CG1 4.29Å; E15-I83 HydrophobicContact CB-CG2 4.44Å
16L83.1Confident83.9Confident123 Ų12372.4 Ų72.464%0.64435%0.347SS*.Hα-helixtrans-96.4-32.2174.7-60-177.4000111.9P13 P14P13-L16 HydrophobicContact CB-CD1 4.45Å; P13-L16 HydrophobicContact CB-CG 4.36Å; P13-L16 HydrophobicContact CG-CD1 4.03Å; P13-L16 HydrophobicContact CG-CG 4.47Å; P13-L16 PolarHBondContact O-N 2.74Å; P14-L16 PolarHBondContact O-N 2.99Å
17F85Confident84.7Confident65 Ų6563.1 Ų63.129%0.28532%0.315SS..Hα-helixtrans-68.3-47.3177.8-179.4-88.6000111.5P8 P13 P14 D19 W127P8-F17 HydrophobicContact CB-CD1 4.17Å; P8-F17 HydrophobicContact CB-CD2 4.38Å; P8-F17 HydrophobicContact CB-CE1 3.72Å; P8-F17 HydrophobicContact CB-CE2 3.94Å; P8-F17 HydrophobicContact CB-CG 4.5Å; P8-F17 HydrophobicContact CB-CZ 3.59Å; P8-F17 HydrophobicContact CG-CE1 4.19Å; P8-F17 HydrophobicContact CG-CZ 3.92Å; P13-F17 PolarHBondContact O-N 2.78Å; P14-F17 PolarHBondContact O-N 2.86Å; F17-D19 VanDerWaalsContact C-N 3.26Å; F17-D19 PolarHBondContact O-N 3.03Å; F17-D19 VanDerWaalsContact O-N 3.12Å; F17-W127 HydrophobicContact CB-CH2 4.06Å; F17-W127 HydrophobicContact CD1-CH2 4.02Å; F17-W127 HydrophobicContact CD1-CZ2 4.4Å; F17-W127 AromaticContact CG-CH2 3.98Å; F17-W127 HydrophobicContact CG-CH2 3.98Å
18Y86.2Confident85Confident40 Ų4068.6 Ų68.616%0.15734%0.335CS..SBendtrans-87.867.8175.9-69.6-71.8000110.4P14 E22 Y26 S84 M87 W127P14-Y18 PolarHBondContact O-N 2.88Å; Y18-E22 HydrophobicContact CD1-CB 4.46Å; Y18-Y26 HydrophobicContact CE1-CD2 4.13Å; Y18-Y26 HydrophobicContact CE1-CE2 4.29Å; Y18-S84 PolarHBondContact O-OG 2.62Å; Y18-M87 HydrophobicContact CD1-CE 3.98Å; Y18-M87 HydrophobicContact CD1-CG 4.45Å; Y18-M87 HydrophobicContact CD1-SD 3.85Å; Y18-M87 HydrophobicContact CE1-CE 4.19Å; Y18-M87 HydrophobicContact CG-CE 4.29Å; Y18-M87 HydrophobicContact CG-CG 4.13Å; Y18-M87 HydrophobicContact CG-SD 4.13Å; Y18-W127 HydrophobicContact CD2-CZ2 4.41Å; Y18-W127 HydrophobicContact CE2-CH2 4.32Å; Y18-W127 AromaticContact CE2-CZ2 3.61Å; Y18-W127 HydrophobicContact CE2-CZ2 3.61Å
19D87.9Confident85.3Confident75 Ų7569.8 Ų69.840%0.40134%0.34SS..  trans-72.6177.9169.571.813.2000111.8F17 K21 E22 A23F17-D19 VanDerWaalsContact C-N 3.26Å; F17-D19 PolarHBondContact O-N 3.03Å; F17-D19 VanDerWaalsContact O-N 3.12Å; D19-K21 PolarHBondContact O-N 3.26Å; D19-K21 VanDerWaalsContact O-N 3.07Å; D19-K21 WeakPolarHBondContact OD1-CA 3.48Å; D19-K21 VanDerWaalsContact OD1-CB 3.31Å; D19-K21 WeakPolarHBondContact OD1-CB 3.4Å; D19-K21 PolarHBondContact OD1-N 2.75Å; D19-E22 PolarHBondContact O-N 2.93Å; D19-E22 PolarHBondContact OD1-N 3.27Å; D19-A23 VanDerWaalsContact O-CB 3.29Å; D19-A23 WeakPolarHBondContact O-CB 3.39Å; D19-A23 PolarHBondContact O-N 3.4Å
20E87.3Confident85.5Confident130 Ų13073.7 Ų73.761%0.60737%0.368SS*.Hα-helixtrans-55.2-28.2178.2-64-179.7-170.900114.1R24 A86E20-R24 WeakPolarHBondContact O-CB 3.44Å; E20-R24 VanDerWaalsContact O-CG 3.3Å; E20-R24 WeakPolarHBondContact O-CG 3.46Å; E20-R24 PolarHBondContact O-N 2.98Å; E20-R24 PolarHBondContact O-NE 3.33Å; E20-R24 IonicContact OE2-NH2 2.85Å; E20-R24 PolarHBondContact OE2-NH2 3.28Å; E20-A86 HydrophobicContact CG-CB 4.31Å
21K87.8Confident85.8Confident128 Ų12877.2 Ų77.256%0.55738%0.378SS*.Hα-helixtrans-80.9-45.4-177.1-175.3-177.4-178.9-178.90110.2D19 K25D19-K21 PolarHBondContact O-N 3.26Å; D19-K21 VanDerWaalsContact O-N 3.07Å; D19-K21 WeakPolarHBondContact OD1-CA 3.48Å; D19-K21 VanDerWaalsContact OD1-CB 3.31Å; D19-K21 WeakPolarHBondContact OD1-CB 3.4Å; D19-K21 PolarHBondContact OD1-N 2.75Å; K21-K25 WeakPolarHBondContact O-CG 3.45Å; K21-K25 PolarHBondContact O-N 3.4Å; K21-K25 VanDerWaalsContact O-N 3.13Å
22E87.1Confident86.3Confident62 Ų6275.5 Ų75.529%0.2935%0.353SS..Hα-helixtrans-69-40176.6-69.4-51.9130.700111.5Y18 D19 R24 K25 Y26Y18-E22 HydrophobicContact CD1-CB 4.46Å; D19-E22 PolarHBondContact O-N 2.93Å; D19-E22 PolarHBondContact OD1-N 3.27Å; E22-R24 PolarHBondContact O-N 2.98Å; E22-K25 WeakPolarHBondContact O-CB 3.19Å; E22-K25 PolarHBondContact O-N 3.34Å; E22-K25 IonicContact OE1-NZ 3.22Å; E22-K25 PolarHBondContact OE1-NZ 2.82Å; E22-K25 IonicContact OE2-NZ 3.58Å; E22-Y26 WeakPolarHBondContact O-CB 3.27Å; E22-Y26 PolarHBondContact O-N 3.3Å
23A87.2Confident86.6Confident0 Ų077.4 Ų77.40%036%0.359CS..Hα-helixtrans-57.7-48.6174.200000111.8D19 K25 Y26 V27 A86 M87 E90D19-A23 VanDerWaalsContact O-CB 3.29Å; D19-A23 WeakPolarHBondContact O-CB 3.39Å; D19-A23 PolarHBondContact O-N 3.4Å; A23-K25 VanDerWaalsContact C-N 3.34Å; A23-K25 PolarHBondContact O-N 2.72Å; A23-Y26 WeakPolarHBondContact O-CB 3.45Å; A23-Y26 PolarHBondContact O-N 2.99Å; A23-Y26 VanDerWaalsContact O-N 3.1Å; A23-V27 PolarHBondContact O-N 3.02Å; A23-V27 VanDerWaalsContact O-N 3.12Å; A23-A86 HydrophobicContact CB-CB 4.2Å; A23-M87 HydrophobicContact CB-CG 4.31Å; A23-M87 HydrophobicContact CB-SD 3.75Å; A23-E90 HydrophobicContact CB-CG 3.89Å
24R86.9Confident87Confident109 Ų10980.4 Ų80.441%0.41137%0.374SS..Hα-helixtrans-59.9-39.7175.3-81.4-177.3-75.7-167.2-11.3113.4E20 E22 Y26 R28 E90E20-R24 WeakPolarHBondContact O-CB 3.44Å; E20-R24 VanDerWaalsContact O-CG 3.3Å; E20-R24 WeakPolarHBondContact O-CG 3.46Å; E20-R24 PolarHBondContact O-N 2.98Å; E20-R24 PolarHBondContact O-NE 3.33Å; E20-R24 IonicContact OE2-NH2 2.85Å; E20-R24 PolarHBondContact OE2-NH2 3.28Å; E22-R24 PolarHBondContact O-N 2.98Å; R24-Y26 VanDerWaalsContact C-N 3.32Å; R24-R28 WeakPolarHBondContact O-CB 3.48Å; R24-R28 VanDerWaalsContact O-CG 3.28Å; R24-R28 WeakPolarHBondContact O-CG 3.01Å; R24-R28 PolarHBondContact O-N 2.99Å; R24-E90 WeakPolarHBondContact CG-OE1 3.41Å
25K86.3Confident87.4Confident100 Ų10082 Ų8244%0.43538%0.381SS..Hα-helixtrans-66-38.5175.9-75171.8-178.41740111.4K21 E22 A23 R28 N29K21-K25 WeakPolarHBondContact O-CG 3.45Å; K21-K25 PolarHBondContact O-N 3.4Å; K21-K25 VanDerWaalsContact O-N 3.13Å; E22-K25 WeakPolarHBondContact O-CB 3.19Å; E22-K25 PolarHBondContact O-N 3.34Å; E22-K25 IonicContact OE1-NZ 3.22Å; E22-K25 PolarHBondContact OE1-NZ 2.82Å; E22-K25 IonicContact OE2-NZ 3.58Å; A23-K25 VanDerWaalsContact C-N 3.34Å; A23-K25 PolarHBondContact O-N 2.72Å; K25-R28 PolarHBondContact O-N 3.2Å; K25-N29 WeakPolarHBondContact O-CB 3.36Å; K25-N29 PolarHBondContact O-N 3.02Å
26Y83.1Confident87.8Confident44 Ų4479.8 Ų79.817%0.17337%0.371CS..Hα-helixtrans-56.6-55.7177.8-155.3-98.7000109.2Y18 E22 A23 R24 R28 N29 M32 Q36 T64 L66 M87Y18-Y26 HydrophobicContact CE1-CD2 4.13Å; Y18-Y26 HydrophobicContact CE1-CE2 4.29Å; E22-Y26 WeakPolarHBondContact O-CB 3.27Å; E22-Y26 PolarHBondContact O-N 3.3Å; A23-Y26 WeakPolarHBondContact O-CB 3.45Å; A23-Y26 PolarHBondContact O-N 2.99Å; A23-Y26 VanDerWaalsContact O-N 3.1Å; R24-Y26 VanDerWaalsContact C-N 3.32Å; Y26-R28 VanDerWaalsContact C-N 3.31Å; Y26-R28 PolarHBondContact O-N 3.29Å; Y26-N29 PolarHBondContact O-N 3.3Å; Y26-M32 HydrophobicContact CD1-CE 3.1Å; Y26-M32 HydrophobicContact CD1-SD 3.84Å; Y26-M32 HydrophobicContact CD2-CE 4.07Å; Y26-M32 HydrophobicContact CD2-CG 4.29Å; Y26-M32 HydrophobicContact CD2-SD 4.27Å; Y26-M32 HydrophobicContact CE1-CE 3.22Å; Y26-M32 HydrophobicContact CE1-CG 4.47Å; Y26-M32 HydrophobicContact CE1-SD 3.29Å; Y26-M32 WeakPolarHBondContact CE1-SD 3.12Å; Y26-M32 HydrophobicContact CE2-CE 4.16Å; Y26-M32 HydrophobicContact CE2-CG 3.96Å; Y26-M32 HydrophobicContact CE2-SD 3.79Å; Y26-M32 HydrophobicContact CG-CE 3.55Å; Y26-M32 HydrophobicContact CG-SD 4.27Å; Y26-M32 WeakPolarHBondContact O-CE 3.47Å; Y26-M32 PolarHBondContact OH-SD 3.49Å; Y26-Q36 VanDerWaalsContact OH-CD 3.26Å; Y26-Q36 PolarHBondContact OH-NE2 3.04Å; Y26-T64 HydrophobicContact CD1-CG2 4.34Å; Y26-L66 HydrophobicContact CD1-CD1 4.37Å; Y26-L66 HydrophobicContact CE1-CD1 4.01Å; Y26-M87 HydrophobicContact CD1-CE 4.03Å; Y26-M87 HydrophobicContact CE1-CE 4.19Å; Y26-M87 HydrophobicContact CG-CE 4.31Å
27V82.5Confident88.3Confident30 Ų3076.2 Ų76.218%0.18235%0.354CS..Hα-helixtrans-64.3-30.9-178.8-175.10000113.4A23 I33 T64 E90 R94A23-V27 PolarHBondContact O-N 3.02Å; A23-V27 VanDerWaalsContact O-N 3.12Å; V27-I33 WeakPolarHBondContact O-CD1 3.49Å; V27-T64 HydrophobicContact CG2-CG2 3.6Å; V27-E90 HydrophobicContact CG2-CB 4.04Å; V27-E90 HydrophobicContact CG2-CG 4.31Å; V27-R94 HydrophobicContact CG1-CG 4.41Å
28R86.8Confident88.8Confident205 Ų20580.3 Ų80.377%0.77437%0.367SS*.Hα-helixtrans-80.9-13.8-178.2-71.1176.7-177.8-167.60.9114.2R24 K25 Y26 S30R24-R28 WeakPolarHBondContact O-CB 3.48Å; R24-R28 VanDerWaalsContact O-CG 3.28Å; R24-R28 WeakPolarHBondContact O-CG 3.01Å; R24-R28 PolarHBondContact O-N 2.99Å; K25-R28 PolarHBondContact O-N 3.2Å; Y26-R28 VanDerWaalsContact C-N 3.31Å; Y26-R28 PolarHBondContact O-N 3.29Å; R28-S30 PolarHBondContact O-N 3.49Å
29N90.5Very high89.4Confident68 Ų6878.6 Ų78.636%0.36436%0.361SS..  trans-88.597.9-174.9-174.9-14.4000111.1K25 Y26 R31 M32 I33K25-N29 WeakPolarHBondContact O-CB 3.36Å; K25-N29 PolarHBondContact O-N 3.02Å; Y26-N29 PolarHBondContact O-N 3.3Å; N29-R31 PolarHBondContact O-N 3.41Å; N29-R31 PolarHBondContact OD1-N 3.49Å; N29-M32 HydrophobicContact CB-CB 3.89Å; N29-M32 WeakPolarHBondContact O-CA 3.49Å; N29-M32 WeakPolarHBondContact O-CB 3.46Å; N29-M32 PolarHBondContact O-N 3.09Å; N29-M32 PolarHBondContact OD1-N 3.16Å; N29-I33 PolarHBondContact O-N 3.29Å
30S89.3Confident89.8Confident95 Ų9575 Ų7566%0.66434%0.342SS*.Hα-helixtrans-55.4-36-178.957.60000114R28 M32 I33 D34R28-S30 PolarHBondContact O-N 3.49Å; S30-M32 VanDerWaalsContact C-N 3.34Å; S30-I33 PolarHBondContact O-N 3.11Å; S30-D34 PolarHBondContact O-N 3.27Å
31R89.6Confident90.3Very high168 Ų16869.5 Ų69.563%0.63432%0.32SS*.Hα-helixtrans-66.8-38176.2-176.2-176.2178.3101.68.2111.6N29 I35N29-R31 PolarHBondContact O-N 3.41Å; N29-R31 PolarHBondContact OD1-N 3.49Å; R31-I35 HydrophobicContact CG-CD1 4Å; R31-I35 WeakPolarHBondContact O-CD1 3.39Å; R31-I35 VanDerWaalsContact O-CG1 3.25Å; R31-I35 WeakPolarHBondContact O-CG1 3.46Å; R31-I35 PolarHBondContact O-N 3.4Å; R31-I35 VanDerWaalsContact O-N 3.15Å
32M88.4Confident90.8Very high26 Ų2666.2 Ų66.213%0.12830%0.304CS..Hα-helixtrans-67.7-46.6177.5-172.8-68-62.100109.6Y26 N29 S30 D34 I35 Q36 L66Y26-M32 HydrophobicContact CD1-CE 3.1Å; Y26-M32 HydrophobicContact CD1-SD 3.84Å; Y26-M32 HydrophobicContact CD2-CE 4.07Å; Y26-M32 HydrophobicContact CD2-CG 4.29Å; Y26-M32 HydrophobicContact CD2-SD 4.27Å; Y26-M32 HydrophobicContact CE1-CE 3.22Å; Y26-M32 HydrophobicContact CE1-CG 4.47Å; Y26-M32 HydrophobicContact CE1-SD 3.29Å; Y26-M32 WeakPolarHBondContact CE1-SD 3.12Å; Y26-M32 HydrophobicContact CE2-CE 4.16Å; Y26-M32 HydrophobicContact CE2-CG 3.96Å; Y26-M32 HydrophobicContact CE2-SD 3.79Å; Y26-M32 HydrophobicContact CG-CE 3.55Å; Y26-M32 HydrophobicContact CG-SD 4.27Å; Y26-M32 WeakPolarHBondContact O-CE 3.47Å; Y26-M32 PolarHBondContact OH-SD 3.49Å; N29-M32 HydrophobicContact CB-CB 3.89Å; N29-M32 WeakPolarHBondContact O-CA 3.49Å; N29-M32 WeakPolarHBondContact O-CB 3.46Å; N29-M32 PolarHBondContact O-N 3.09Å; N29-M32 PolarHBondContact OD1-N 3.16Å; S30-M32 VanDerWaalsContact C-N 3.34Å; M32-D34 VanDerWaalsContact C-N 3.33Å; M32-D34 PolarHBondContact O-N 3.03Å; M32-I35 PolarHBondContact O-N 2.95Å; M32-I35 VanDerWaalsContact O-N 3.13Å; M32-Q36 PolarHBondContact O-N 3.39Å; M32-Q36 HydrophobicContact SD-CB 4.31Å; M32-Q36 HydrophobicContact SD-CG 3.23Å; M32-Q36 WeakPolarHBondContact SD-CG 3.48Å; M32-L66 HydrophobicContact CE-CD1 3.45Å; M32-L66 VanDerWaalsContact CE-CD1 3.45Å; M32-L66 HydrophobicContact SD-CD1 3.92Å
33I90.4Very high91.4Very high55 Ų5563.3 Ų63.328%0.28229%0.29SS..Hα-helixtrans-51.5-53.2175-68.9165.9000110.6V27 N29 S30 I35 Q36 T37 L66V27-I33 WeakPolarHBondContact O-CD1 3.49Å; N29-I33 PolarHBondContact O-N 3.29Å; S30-I33 PolarHBondContact O-N 3.11Å; I33-I35 VanDerWaalsContact C-N 3.32Å; I33-I35 PolarHBondContact O-N 3.35Å; I33-Q36 PolarHBondContact O-N 2.94Å; I33-T37 WeakPolarHBondContact O-CB 3.37Å; I33-T37 PolarHBondContact O-N 3.45Å; I33-T37 PolarHBondContact O-OG1 3.1Å; I33-L66 HydrophobicContact CB-CD2 4.4Å; I33-L66 HydrophobicContact CG1-CD1 4.21Å; I33-L66 HydrophobicContact CG1-CD2 3.97Å; I33-L66 HydrophobicContact CG2-CD2 4.02Å
34D92.2Very high91.8Very high86 Ų8664.1 Ų64.146%0.4630%0.295SS..Hα-helixtrans-56.3-44.6179.3179.666.6000112.4S30 M32 T37 R38S30-D34 PolarHBondContact O-N 3.27Å; M32-D34 VanDerWaalsContact C-N 3.33Å; M32-D34 PolarHBondContact O-N 3.03Å; D34-T37 PolarHBondContact O-N 2.94Å; D34-R38 WeakPolarHBondContact O-CB 3.1Å; D34-R38 VanDerWaalsContact O-CG 3.25Å; D34-R38 WeakPolarHBondContact O-CG 3.46Å; D34-R38 PolarHBondContact O-N 3.24Å
35I92.7Very high92.3Very high53 Ų5364.9 Ų64.927%0.27230%0.303SS..Hα-helixtrans-64.5-45.3179.2-69.3165.6000111.2R31 M32 I33 R38 M39R31-I35 HydrophobicContact CG-CD1 4Å; R31-I35 WeakPolarHBondContact O-CD1 3.39Å; R31-I35 VanDerWaalsContact O-CG1 3.25Å; R31-I35 WeakPolarHBondContact O-CG1 3.46Å; R31-I35 PolarHBondContact O-N 3.4Å; R31-I35 VanDerWaalsContact O-N 3.15Å; M32-I35 PolarHBondContact O-N 2.95Å; M32-I35 VanDerWaalsContact O-N 3.13Å; I33-I35 VanDerWaalsContact C-N 3.32Å; I33-I35 PolarHBondContact O-N 3.35Å; I35-R38 PolarHBondContact O-N 3.14Å; I35-M39 HydrophobicContact CG2-CE 3.76Å; I35-M39 HydrophobicContact CG2-SD 4.14Å; I35-M39 VanDerWaalsContact O-CG 3.31Å; I35-M39 WeakPolarHBondContact O-CG 3.41Å; I35-M39 PolarHBondContact O-N 3.38Å
36Q93.2Very high92.8Very high14 Ų1461.5 Ų61.57%0.06529%0.289CS..Hα-helixtrans-64.7-44.4178.6-68.3-63.5102.900111.5Y26 M32 I33 R38 M39 A40 L66Y26-Q36 VanDerWaalsContact OH-CD 3.26Å; Y26-Q36 PolarHBondContact OH-NE2 3.04Å; M32-Q36 PolarHBondContact O-N 3.39Å; M32-Q36 HydrophobicContact SD-CB 4.31Å; M32-Q36 HydrophobicContact SD-CG 3.23Å; M32-Q36 WeakPolarHBondContact SD-CG 3.48Å; I33-Q36 PolarHBondContact O-N 2.94Å; Q36-R38 VanDerWaalsContact C-N 3.33Å; Q36-R38 PolarHBondContact O-N 3.19Å; Q36-M39 PolarHBondContact O-N 2.74Å; Q36-A40 WeakPolarHBondContact O-CB 3.4Å; Q36-A40 PolarHBondContact O-N 3.06Å; Q36-L66 HydrophobicContact CB-CB 4.26Å; Q36-L66 HydrophobicContact CB-CD1 4.07Å; Q36-L66 HydrophobicContact CG-CD1 4.07Å
37T94.1Very high93.4Very high47 Ų4759.5 Ų59.529%0.28828%0.282SS..Hα-helixtrans-59-45177.5-59.90000111I33 D34 M39 A40 G41 Y70I33-T37 WeakPolarHBondContact O-CB 3.37Å; I33-T37 PolarHBondContact O-N 3.45Å; I33-T37 PolarHBondContact O-OG1 3.1Å; D34-T37 PolarHBondContact O-N 2.94Å; T37-M39 PolarHBondContact O-N 3.48Å; T37-A40 PolarHBondContact O-N 2.82Å; T37-G41 PolarHBondContact O-N 3.07Å; T37-Y70 HydrophobicContact CG2-CD2 3.6Å; T37-Y70 HydrophobicContact CG2-CE2 4.12Å
38R96Very high94Very high151 Ų15166.5 Ų66.557%0.5731%0.306SS*.Hα-helixtrans-64.8-39177.4-72.3176.865173.92.7112.9D34 I35 Q36 R42D34-R38 WeakPolarHBondContact O-CB 3.1Å; D34-R38 VanDerWaalsContact O-CG 3.25Å; D34-R38 WeakPolarHBondContact O-CG 3.46Å; D34-R38 PolarHBondContact O-N 3.24Å; I35-R38 PolarHBondContact O-N 3.14Å; Q36-R38 VanDerWaalsContact C-N 3.33Å; Q36-R38 PolarHBondContact O-N 3.19Å; R38-R42 WeakPolarHBondContact O-CB 3.4Å; R38-R42 PolarHBondContact O-N 3.17Å
39M97.6Very high94.3Very high5 Ų558.3 Ų58.33%0.02528%0.277CS..Hα-helixtrans-69.7-36.2176.4-68.6-174.4-50.900111.8I35 Q36 T37 R42 A43 I122 Q162 Y164 K199I35-M39 HydrophobicContact CG2-CE 3.76Å; I35-M39 HydrophobicContact CG2-SD 4.14Å; I35-M39 VanDerWaalsContact O-CG 3.31Å; I35-M39 WeakPolarHBondContact O-CG 3.41Å; I35-M39 PolarHBondContact O-N 3.38Å; Q36-M39 PolarHBondContact O-N 2.74Å; T37-M39 PolarHBondContact O-N 3.48Å; M39-R42 PolarHBondContact O-N 3.19Å; M39-A43 WeakPolarHBondContact O-CB 3.45Å; M39-A43 PolarHBondContact O-N 3.46Å; M39-I122 HydrophobicContact CB-CG2 3.87Å; M39-I122 HydrophobicContact CE-CG2 3.71Å; M39-Q162 HydrophobicContact CB-CG 4.42Å; M39-Q162 HydrophobicContact CG-CG 4.45Å; M39-Q162 HydrophobicContact SD-CG 3.96Å; M39-Y164 PolarHBondContact SD-OH 2.91Å; M39-Y164 VanDerWaalsContact SD-OH 3.39Å; M39-K199 HydrophobicContact SD-CD 3.7Å; M39-K199 HydrophobicContact SD-CG 4.44Å
40A97.8Very high94.3Very high0 Ų058.9 Ų58.90%029%0.285CS..Hα-helixtrans-64.2-46.5173.800000111.5Q36 T37 R42 A43 L44 Y70 I122Q36-A40 WeakPolarHBondContact O-CB 3.4Å; Q36-A40 PolarHBondContact O-N 3.06Å; T37-A40 PolarHBondContact O-N 2.82Å; A40-R42 PolarHBondContact O-N 3.2Å; A40-A43 PolarHBondContact O-N 2.97Å; A40-L44 PolarHBondContact O-N 3.06Å; A40-Y70 HydrophobicContact CB-CD1 4.24Å; A40-Y70 HydrophobicContact CB-CG 4.24Å; A40-I122 HydrophobicContact CB-CG1 4.41Å
41G97.8Very high94Very high14 Ų1462.6 Ų62.614%0.14429%0.292CS..Hα-helixtrans-60.5-43175.200000113T37 A43 L44 E45 Y70T37-G41 PolarHBondContact O-N 3.07Å; G41-A43 PolarHBondContact O-N 3.48Å; G41-L44 PolarHBondContact O-N 3.19Å; G41-E45 PolarHBondContact O-N 2.89Å; G41-Y70 VanDerWaalsContact CA-CZ 3.43Å
42R98.1Very high93.8Very high59 Ų5962.5 Ų62.522%0.22330%0.304CS..Hα-helixtrans-63.5-40174-178.254.81711584.5112.6R38 M39 A40 E45 L46 D190 Y201R38-R42 WeakPolarHBondContact O-CB 3.4Å; R38-R42 PolarHBondContact O-N 3.17Å; M39-R42 PolarHBondContact O-N 3.19Å; A40-R42 PolarHBondContact O-N 3.2Å; R42-E45 VanDerWaalsContact CD-OE2 3.3Å; R42-E45 WeakPolarHBondContact CD-OE2 3.26Å; R42-E45 IonicContact CZ-OE2 3.9Å; R42-E45 IonicContact NE-OE2 2.88Å; R42-E45 IonicContact NH1-OE1 2.77Å; R42-E45 PolarHBondContact NH1-OE1 3Å; R42-E45 IonicContact NH1-OE2 3.4Å; R42-E45 PolarHBondContact NH1-OE2 3.44Å; R42-E45 PolarHBondContact O-N 3.48Å; R42-L46 HydrophobicContact CG-CD1 4.25Å; R42-L46 VanDerWaalsContact O-CG 3.31Å; R42-L46 WeakPolarHBondContact O-CG 3.33Å; R42-L46 PolarHBondContact O-N 2.98Å; R42-L46 VanDerWaalsContact O-N 3.1Å; R42-D190 WeakPolarHBondContact CG-OD2 3.25Å; R42-D190 IonicContact CZ-OD1 2.62Å; R42-D190 IonicContact CZ-OD2 3.03Å; R42-D190 IonicContact NE-OD1 3.59Å; R42-D190 IonicContact NE-OD2 3.52Å; R42-D190 PolarHBondContact NE-OD2 2.8Å; R42-D190 IonicContact NH2-OD1 2.75Å; R42-D190 PolarHBondContact NH2-OD1 2.64Å; R42-D190 VanDerWaalsContact NH2-OD1 3.14Å; R42-D190 IonicContact NH2-OD2 3.69Å; R42-Y201 HydrophobicContact CB-CE1 4.25Å; R42-Y201 HydrophobicContact CG-CE1 4.02Å; R42-Y201 HydrophobicContact CG-CE2 3.86Å
43A98.4Very high93.9Very high0 Ų067.7 Ų67.70%033%0.326CS..Hα-helixtrans-65.6-39.3176.700000112M39 A40 G41 L46 L47 I120 I122 V160 Y201M39-A43 WeakPolarHBondContact O-CB 3.45Å; M39-A43 PolarHBondContact O-N 3.46Å; A40-A43 PolarHBondContact O-N 2.97Å; G41-A43 PolarHBondContact O-N 3.48Å; A43-L46 PolarHBondContact O-N 3.34Å; A43-L47 PolarHBondContact O-N 3.12Å; A43-I120 HydrophobicContact CB-CG2 4.14Å; A43-I122 HydrophobicContact CB-CD1 3.67Å; A43-V160 HydrophobicContact CB-CB 4.28Å; A43-V160 HydrophobicContact CB-CG1 3.81Å; A43-Y201 HydrophobicContact CB-CE1 4.49Å
44L97.4Very high94.2Very high18 Ų1868.4 Ų68.49%0.09433%0.334CS..Hα-helixtrans-65.3-41.1175.7-173.264.6000112A40 G41 L46 L47 L49 L57 Y70 L71 E74A40-L44 PolarHBondContact O-N 3.06Å; G41-L44 PolarHBondContact O-N 3.19Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 3.45Å; L44-L47 HydrophobicContact CD1-CD1 4.12Å; L44-L47 WeakPolarHBondContact O-CB 3.42Å; L44-L47 PolarHBondContact O-N 2.94Å; L44-L49 HydrophobicContact CD1-CD1 3.61Å; L44-L57 HydrophobicContact CD1-CD1 4.07Å; L44-Y70 HydrophobicContact CB-CE1 4.46Å; L44-Y70 HydrophobicContact CD2-CD1 4.39Å; L44-Y70 HydrophobicContact CD2-CE1 3.9Å; L44-L71 HydrophobicContact CD1-CD2 3.91Å; L44-L71 HydrophobicContact CD2-CD2 4.42Å; L44-E74 HydrophobicContact CD2-CB 3.72Å; L44-E74 HydrophobicContact CD2-CG 3.58Å
45E96.7Very high94.4Very high124 Ų12464.6 Ų64.658%0.57931%0.314SS*.Hα-helixtrans-57.3-46.2172.9-172.8-162.7160.400111.1G41 R42 L47 Y48G41-E45 PolarHBondContact O-N 2.89Å; R42-E45 VanDerWaalsContact CD-OE2 3.3Å; R42-E45 WeakPolarHBondContact CD-OE2 3.26Å; R42-E45 IonicContact CZ-OE2 3.9Å; R42-E45 IonicContact NE-OE2 2.88Å; R42-E45 IonicContact NH1-OE1 2.77Å; R42-E45 PolarHBondContact NH1-OE1 3Å; R42-E45 IonicContact NH1-OE2 3.4Å; R42-E45 PolarHBondContact NH1-OE2 3.44Å; R42-E45 PolarHBondContact O-N 3.48Å; E45-L47 VanDerWaalsContact C-N 3.29Å; E45-L47 PolarHBondContact O-N 3.3Å; E45-Y48 PolarHBondContact O-N 3.05Å; E45-Y48 VanDerWaalsContact O-N 3.16Å
46L97Very high94.7Very high30 Ų3065.9 Ų65.916%0.15732%0.316CS..Hα-helixtrans-69.8-24.1179.8-69.1171.4000113.4R42 A43 L44 Y48 V160 V188 Y201R42-L46 HydrophobicContact CG-CD1 4.25Å; R42-L46 VanDerWaalsContact O-CG 3.31Å; R42-L46 WeakPolarHBondContact O-CG 3.33Å; R42-L46 PolarHBondContact O-N 2.98Å; R42-L46 VanDerWaalsContact O-N 3.1Å; A43-L46 PolarHBondContact O-N 3.34Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 3.45Å; L46-Y48 PolarHBondContact O-N 3.38Å; L46-V160 HydrophobicContact CB-CG1 4.03Å; L46-V160 HydrophobicContact CB-CG2 3.82Å; L46-V160 HydrophobicContact CD1-CG1 4.14Å; L46-V188 HydrophobicContact CD1-CB 4.49Å; L46-V188 HydrophobicContact CD1-CG1 4.44Å; L46-V188 HydrophobicContact CD2-CG1 4.47Å; L46-V188 HydrophobicContact CD2-CG2 4.37Å; L46-Y201 HydrophobicContact CD1-CD1 4.16Å; L46-Y201 HydrophobicContact CD1-CD2 4.33Å; L46-Y201 HydrophobicContact CD1-CG 3.87Å
47L95.9Very high95Very high2 Ų265.2 Ų65.21%0.0131%0.313CS..Hα-helixtrans-64-25.6172.8-83.6178.9000112.1A43 L44 E45 L49 L57 I120 R158 V160A43-L47 PolarHBondContact O-N 3.12Å; L44-L47 HydrophobicContact CD1-CD1 4.12Å; L44-L47 WeakPolarHBondContact O-CB 3.42Å; L44-L47 PolarHBondContact O-N 2.94Å; E45-L47 VanDerWaalsContact C-N 3.29Å; E45-L47 PolarHBondContact O-N 3.3Å; L47-L49 VanDerWaalsContact C-N 3.32Å; L47-L49 HydrophobicContact CB-CD2 4.19Å; L47-L49 HydrophobicContact CB-CG 3.97Å; L47-L49 HydrophobicContact CD1-CD1 4.36Å; L47-L49 PolarHBondContact O-N 3.22Å; L47-L57 HydrophobicContact CD1-CD2 4.46Å; L47-I120 HydrophobicContact CD1-CG2 3.41Å; L47-I120 VanDerWaalsContact CD1-CG2 3.41Å; L47-I120 HydrophobicContact CG-CG2 4.11Å; L47-R158 HydrophobicContact CD2-CB 3.77Å; L47-R158 WeakPolarHBondContact CD2-O 3.5Å; L47-R158 VanDerWaalsContact O-CD 3.25Å; L47-R158 WeakPolarHBondContact O-CD 3.31Å; L47-V160 HydrophobicContact CD2-CB 4.37Å; L47-V160 HydrophobicContact CD2-CG2 3.84Å; L47-V160 HydrophobicContact CG-CB 4.35Å; L47-V160 HydrophobicContact CG-CG2 3.93Å
48Y94.1Very high95.2Very high176 Ų17663 Ų6369%0.6930%0.299SS*.THydrogen-bonded Turntrans50.253.7177.2-165.6-106.6000111.8E45 L46 R158E45-Y48 PolarHBondContact O-N 3.05Å; E45-Y48 VanDerWaalsContact O-N 3.16Å; L46-Y48 PolarHBondContact O-N 3.38Å; Y48-R158 VanDerWaalsContact CB-CZ 3.44Å
49L93.3Very high95.3Very high33 Ų3355.8 Ų55.817%0.17327%0.272CS..PPolyproline II helixtrans-71.7155.7178-60.3177.3000110.4L44 L47 E51 C55 L57L44-L49 HydrophobicContact CD1-CD1 3.61Å; L47-L49 VanDerWaalsContact C-N 3.32Å; L47-L49 HydrophobicContact CB-CD2 4.19Å; L47-L49 HydrophobicContact CB-CG 3.97Å; L47-L49 HydrophobicContact CD1-CD1 4.36Å; L47-L49 PolarHBondContact O-N 3.22Å; L49-E51 PolarHBondContact O-N 3.05Å; L49-C55 HydrophobicContact CD1-CB 4.12Å; L49-L57 HydrophobicContact CD1-CD1 3.96Å; L49-L57 HydrophobicContact CD1-CD2 3.86Å; L49-L57 HydrophobicContact CD1-CG 4.48Å; L49-L57 HydrophobicContact CD2-CD2 4.31Å
50P89.4Confident95.4Very high80 Ų8055.5 Ų55.552%0.51927%0.271SS..PPolyproline II helixtrans-57.5132.9174.5-22.633.2000111.7K53P50-K53 HydrophobicContact CB-CB 4.38Å
51E83.9Confident95.4Very high173 Ų17356.2 Ų56.281%0.80828%0.277SS*.THydrogen-bonded Turntrans-63.4148.1176.7-64.2-175.9-176.100111.5L49 K53L49-E51 PolarHBondContact O-N 3.05Å; E51-K53 PolarHBondContact O-N 3.42Å
52N84.7Confident95.4Very high166 Ų16655.7 Ų55.789%0.88827%0.272SS*.THydrogen-bonded Turntrans58.518.9175.1-56.1-55000115.6
53K91.4Very high95.3Very high135 Ų13553.1 Ų53.159%0.58726%0.264SS*.  trans-126.2124177.6-168.4-178.8176.2-175.10110.8P50 E51P50-K53 HydrophobicContact CB-CB 4.38Å; E51-K53 PolarHBondContact O-N 3.42Å
54P95.8Very high95.2Very high70 Ų7053.2 Ų53.246%0.45526%0.264SS..  trans-59.2141168-23.934.8000110.9G75 Y77P54-G75 WeakPolarHBondContact CB-O 3.39Å; P54-Y77 HydrophobicContact CB-CD2 4.14Å; P54-Y77 HydrophobicContact CB-CE2 3.72Å
55C97.8Very high95.2Very high6 Ų652.4 Ų52.44%0.04126%0.26CS..  trans-124155.8178.3-69.60000109L49 L57 H76 Y77 D117L49-C55 HydrophobicContact CD1-CB 4.12Å; C55-L57 HydrophobicContact CB-CD2 3.97Å; C55-L57 HydrophobicContact CB-CG 4.33Å; C55-H76 PolarHBondContact N-ND1 2.86Å; C55-H76 VanDerWaalsContact N-ND1 3.2Å; C55-Y77 PolarHBondContact O-N 2.82Å; C55-D117 WeakPolarHBondContact CA-OD2 3.39Å; C55-D117 HydrophobicContact CB-CB 3.9Å
56Y98.5Very high95.1Very high80 Ų8046.8 Ų46.831%0.31423%0.234SC..EExtended strand (participates in β ladder)trans-101111.9173.5-167.7-137.8000110.7Y77 V79 T115 F116 D117Y56-Y77 CarbonylContact C-O 3.57Å; Y56-Y77 WeakPolarHBondContact CA-O 3.08Å; Y56-V79 HydrophobicContact CE2-CG2 3.78Å; Y56-V79 WeakPolarHBondContact OH-CG2 2.97Å; Y56-T115 HydrophobicContact CD1-CG2 4.14Å; Y56-T115 HydrophobicContact CE1-CG2 3.81Å; Y56-F116 AromaticContact CD1-CD1 3.76Å; Y56-F116 HydrophobicContact CD1-CD1 3.76Å; Y56-F116 AromaticContact CD1-CE1 3.92Å; Y56-F116 HydrophobicContact CD1-CE1 3.92Å; Y56-F116 AromaticContact CE1-CD1 3.96Å; Y56-F116 HydrophobicContact CE1-CD1 3.96Å; Y56-F116 AromaticContact CE1-CE1 3.61Å; Y56-F116 HydrophobicContact CE1-CE1 3.61Å; Y56-F116 HydrophobicContact CE1-CZ 4.4Å; Y56-F116 HydrophobicContact CE2-CE1 4.49Å; Y56-F116 HydrophobicContact CG-CD1 4.22Å; Y56-F116 HydrophobicContact CG-CE1 4.5Å; Y56-F116 AromaticContact CZ-CE1 3.95Å; Y56-F116 CarbonylContact O-C 3.59Å; Y56-F116 WeakPolarHBondContact O-CA 3.11Å; Y56-D117 PolarHBondContact N-OD2 3.15Å; Y56-D117 PolarHBondContact O-N 3.03Å
57L98.8Very high95.1Very high0 Ų045.6 Ų45.60%023%0.228CC..EExtended strand (participates in β ladder)trans-113.1148.8-167.9-56.6-179.3000112.3L44 L47 L49 C55 L71 H76 Y77 W78 V79 G118L44-L57 HydrophobicContact CD1-CD1 4.07Å; L47-L57 HydrophobicContact CD1-CD2 4.46Å; L49-L57 HydrophobicContact CD1-CD1 3.96Å; L49-L57 HydrophobicContact CD1-CD2 3.86Å; L49-L57 HydrophobicContact CD1-CG 4.48Å; L49-L57 HydrophobicContact CD2-CD2 4.31Å; C55-L57 HydrophobicContact CB-CD2 3.97Å; C55-L57 HydrophobicContact CB-CG 4.33Å; L57-L71 HydrophobicContact CB-CD1 4.04Å; L57-L71 HydrophobicContact CD1-CD1 3.98Å; L57-L71 HydrophobicContact CD1-CD2 3.69Å; L57-L71 HydrophobicContact CD1-CG 4.29Å; L57-H76 HydrophobicContact CD1-CB 3.76Å; L57-H76 HydrophobicContact CG-CB 4.25Å; L57-Y77 PolarHBondContact N-O 2.92Å; L57-W78 HydrophobicContact CB-CB 4.26Å; L57-W78 CarbonylContact O-C 3.56Å; L57-W78 WeakPolarHBondContact O-CA 3.23Å; L57-W78 WeakPolarHBondContact O-CB 3.34Å; L57-V79 PolarHBondContact O-N 3.06Å; L57-G118 WeakPolarHBondContact CA-O 3.4Å
58L98.8Very high95.2Very high0 Ų045.5 Ų45.50%023%0.227CC..EExtended strand (participates in β ladder)trans-104.4125172-17862000110.2I60 I109 F111 F116 G118 C119 I120 L149 V152L58-I60 HydrophobicContact CD1-CD1 4.05Å; L58-I60 HydrophobicContact CD2-CD1 3.74Å; L58-I60 HydrophobicContact CD2-CG1 4.12Å; L58-I60 HydrophobicContact CG-CD1 3.74Å; L58-I60 HydrophobicContact CG-CG1 4.01Å; L58-I109 HydrophobicContact CD2-CD1 4.1Å; L58-I109 HydrophobicContact CD2-CG2 3.8Å; L58-F111 HydrophobicContact CD1-CE2 4.08Å; L58-F116 HydrophobicContact CB-CB 4.37Å; L58-F116 HydrophobicContact CB-CD1 3.86Å; L58-F116 HydrophobicContact CB-CD2 3.95Å; L58-F116 HydrophobicContact CB-CE1 4.07Å; L58-F116 HydrophobicContact CB-CE2 4.15Å; L58-F116 HydrophobicContact CB-CG 3.8Å; L58-F116 HydrophobicContact CB-CZ 4.21Å; L58-F116 HydrophobicContact CD1-CE1 4.3Å; L58-F116 HydrophobicContact CD1-CE2 4.03Å; L58-F116 HydrophobicContact CD1-CZ 3.83Å; L58-F116 HydrophobicContact CD2-CD2 4.03Å; L58-F116 HydrophobicContact CD2-CE2 3.98Å; L58-F116 HydrophobicContact CG-CD2 4.45Å; L58-F116 HydrophobicContact CG-CE2 4.29Å; L58-F116 HydrophobicContact CG-CZ 4.43Å; L58-G118 PolarHBondContact N-O 3.38Å; L58-C119 HydrophobicContact CB-CB 4.2Å; L58-C119 CarbonylContact O-C 3.58Å; L58-C119 VanDerWaalsContact O-CA 3.26Å; L58-C119 WeakPolarHBondContact O-CA 3.41Å; L58-C119 PolarHBondContact O-SG 3.02Å; L58-I120 PolarHBondContact O-N 2.86Å; L58-L149 HydrophobicContact CD2-CD1 4.02Å; L58-V152 HydrophobicContact CD2-CG2 4.17Å
59D98.8Very high95.3Very high0 Ų038.4 Ų38.40%020%0.204CC..EExtended strand (participates in β ladder)trans-105.5102.7174.5-170.57.7000110.1C62 S67 G68 W78 V79 G80 L81 I120D59-C62 HydrophobicContact CB-CB 4.03Å; D59-C62 WeakPolarHBondContact OD2-CB 3.47Å; D59-S67 PolarHBondContact OD1-OG 3.41Å; D59-S67 VanDerWaalsContact OD2-CB 3.31Å; D59-S67 WeakPolarHBondContact OD2-CB 3.44Å; D59-S67 PolarHBondContact OD2-OG 2.9Å; D59-G68 PolarHBondContact OD2-N 2.8Å; D59-W78 HydrophobicContact CB-CE3 4.02Å; D59-W78 HydrophobicContact CB-CZ3 4.37Å; D59-V79 PolarHBondContact N-O 3.14Å; D59-G80 WeakPolarHBondContact O-CA 3.3Å; D59-L81 PolarHBondContact O-N 3.3Å; D59-I120 WeakPolarHBondContact CA-O 3.47Å; D59-I120 HydrophobicContact CB-CG1 4.25Å
60I98.7Very high95.5Very high0 Ų039.4 Ų39.40%021%0.206CC..EExtended strand (participates in β ladder)trans-89.7126.8-178.5-63.8-62000110.7L58 L81 M105 I109 I120 S121 F145L58-I60 HydrophobicContact CD1-CD1 4.05Å; L58-I60 HydrophobicContact CD2-CD1 3.74Å; L58-I60 HydrophobicContact CD2-CG1 4.12Å; L58-I60 HydrophobicContact CG-CD1 3.74Å; L58-I60 HydrophobicContact CG-CG1 4.01Å; I60-L81 HydrophobicContact CD1-CB 3.98Å; I60-L81 HydrophobicContact CD1-CD2 3.9Å; I60-M105 HydrophobicContact CG2-CB 4.01Å; I60-M105 HydrophobicContact CG2-CE 4.44Å; I60-M105 HydrophobicContact CG2-CG 4.32Å; I60-M105 HydrophobicContact CG2-SD 3.39Å; I60-M105 WeakPolarHBondContact CG2-SD 3.27Å; I60-I109 HydrophobicContact CD1-CD1 3.92Å; I60-I109 HydrophobicContact CD1-CG1 4.32Å; I60-I109 HydrophobicContact CG1-CD1 4.47Å; I60-I120 PolarHBondContact N-O 3.44Å; I60-S121 WeakPolarHBondContact O-CA 3.47Å; I60-S121 VanDerWaalsContact O-CB 3.31Å; I60-S121 WeakPolarHBondContact O-CB 3.47Å; I60-S121 PolarHBondContact O-OG 3.07Å; I60-F145 HydrophobicContact CG1-CE2 4.19Å; I60-F145 HydrophobicContact CG2-CE2 3.82Å; I60-F145 HydrophobicContact CG2-CZ 4.19Å
61G97.9Very high95.8Very high14 Ų1435.6 Ų35.614%0.14418%0.181CC..THydrogen-bonded Turntrans68.544.9-170.700000111G63 L81 D82G61-G63 PolarHBondContact O-N 2.88Å; G61-G63 VanDerWaalsContact O-N 3.16Å; G61-L81 VanDerWaalsContact CA-O 3.26Å; G61-L81 WeakPolarHBondContact CA-O 3.46Å; G61-L81 PolarHBondContact N-O 2.99Å; G61-D82 WeakPolarHBondContact CA-OD2 3.34Å
62C97.9Very high96.5Very high4 Ų428.3 Ų28.33%0.02715%0.149CC..  trans-64.9-17.4-172.267.50000113.4D59 T64 G65 W78 G80 L81 D82D59-C62 HydrophobicContact CB-CB 4.03Å; D59-C62 WeakPolarHBondContact OD2-CB 3.47Å; C62-T64 PolarHBondContact O-N 3.5Å; C62-G65 WeakPolarHBondContact O-CA 3.27Å; C62-G65 PolarHBondContact O-N 3.33Å; C62-W78 HydrophobicContact CB-CZ3 4.37Å; C62-G80 VanDerWaalsContact SG-C 3.58Å; C62-G80 VanDerWaalsContact SG-CA 3.51Å; C62-L81 PolarHBondContact N-O 3.08Å; C62-L81 VanDerWaalsContact N-O 3.12Å; C62-D82 PolarHBondContact N-OD2 3.05Å
63G96.9Very high97Very high5 Ų525.7 Ų25.75%0.05214%0.135CC..THydrogen-bonded Turntrans52.2-124.8177.900000112.1G61 G65 D82 M87G61-G63 PolarHBondContact O-N 2.88Å; G61-G63 VanDerWaalsContact O-N 3.16Å; G63-G65 PolarHBondContact O-N 2.97Å; G63-D82 WeakPolarHBondContact CA-OD2 3.39Å; G63-D82 PolarHBondContact N-OD2 3.3Å; G63-M87 CarbonylContact O-C 3.58Å
64T96.3Very high97.2Very high2 Ų224 Ų241%0.01213%0.129CC..THydrogen-bonded Turntrans-78.19.2178.763.90000113.8Y26 V27 C62 M87 E90 A91 R94Y26-T64 HydrophobicContact CD1-CG2 4.34Å; V27-T64 HydrophobicContact CG2-CG2 3.6Å; C62-T64 PolarHBondContact O-N 3.5Å; T64-M87 WeakPolarHBondContact CA-O 3.42Å; T64-M87 HydrophobicContact CG2-CB 4.33Å; T64-M87 HydrophobicContact CG2-CE 4Å; T64-M87 HydrophobicContact CG2-SD 3.59Å; T64-M87 VanDerWaalsContact CG2-SD 3.59Å; T64-E90 HydrophobicContact CG2-CB 3.78Å; T64-A91 WeakPolarHBondContact O-CA 3.26Å; T64-A91 WeakPolarHBondContact O-CB 3.35Å; T64-R94 PolarHBondContact O-NH1 3.09Å
65G96.1Very high97.2Very high0 Ų022.6 Ų22.60%013%0.127CC..THydrogen-bonded Turntrans77.325177.700000114.5C62 G63 S69C62-G65 WeakPolarHBondContact O-CA 3.27Å; C62-G65 PolarHBondContact O-N 3.33Å; G63-G65 PolarHBondContact O-N 2.97Å; G65-S69 WeakPolarHBondContact O-CB 3.44Å; G65-S69 PolarHBondContact O-N 2.95Å; G65-S69 PolarHBondContact O-OG 3.03Å
66L95.7Very high97.2Very high7 Ų723.4 Ų23.44%0.03713%0.131CC..Hα-helixtrans-66.4-49178.1-76.9170.9000112.7Y26 M32 I33 Q36 S69 Y70 R94Y26-L66 HydrophobicContact CD1-CD1 4.37Å; Y26-L66 HydrophobicContact CE1-CD1 4.01Å; M32-L66 HydrophobicContact CE-CD1 3.45Å; M32-L66 VanDerWaalsContact CE-CD1 3.45Å; M32-L66 HydrophobicContact SD-CD1 3.92Å; I33-L66 HydrophobicContact CB-CD2 4.4Å; I33-L66 HydrophobicContact CG1-CD1 4.21Å; I33-L66 HydrophobicContact CG1-CD2 3.97Å; I33-L66 HydrophobicContact CG2-CD2 4.02Å; Q36-L66 HydrophobicContact CB-CB 4.26Å; Q36-L66 HydrophobicContact CB-CD1 4.07Å; Q36-L66 HydrophobicContact CG-CD1 4.07Å; L66-S69 PolarHBondContact O-N 2.95Å; L66-Y70 PolarHBondContact O-N 2.85Å; L66-R94 VanDerWaalsContact CD2-NH1 3.29Å; L66-R94 VanDerWaalsContact CD2-NH2 3.28Å; L66-R94 VanDerWaalsContact CG-NH1 3.3Å
67S96.8Very high97.2Very high4 Ų427 Ų273%0.02815%0.145CC..Hα-helixtrans-63.1-49.8176340000111D59 S69 Y70 L71D59-S67 PolarHBondContact OD1-OG 3.41Å; D59-S67 VanDerWaalsContact OD2-CB 3.31Å; D59-S67 WeakPolarHBondContact OD2-CB 3.44Å; D59-S67 PolarHBondContact OD2-OG 2.9Å; S67-S69 VanDerWaalsContact C-N 3.33Å; S67-S69 PolarHBondContact O-N 3.35Å; S67-Y70 WeakPolarHBondContact O-CA 3.42Å; S67-Y70 VanDerWaalsContact O-CB 3.28Å; S67-Y70 WeakPolarHBondContact O-CB 3.48Å; S67-Y70 PolarHBondContact O-N 3.05Å; S67-L71 PolarHBondContact O-N 2.8Å; S67-L71 VanDerWaalsContact O-N 3.09Å
68G97.1Very high97.2Very high0 Ų027.3 Ų27.30%015%0.146CC..Hα-helixtrans-58.9-37.5174.800000114.7D59 Y70 L71 S72 W78D59-G68 PolarHBondContact OD2-N 2.8Å; G68-Y70 PolarHBondContact O-N 2.86Å; G68-L71 WeakPolarHBondContact O-CB 3.1Å; G68-L71 PolarHBondContact O-N 3.01Å; G68-L71 VanDerWaalsContact O-N 3.09Å; G68-S72 PolarHBondContact O-N 2.82Å; G68-S72 PolarHBondContact O-OG 3.34Å; G68-W78 VanDerWaalsContact O-CE2 3.32Å; G68-W78 PolarHBondContact O-NE1 2.74Å
69S96.4Very high97.2Very high28 Ų2827.5 Ų27.520%0.19615%0.147CC..Hα-helixtrans-58.4-39.3173-61.40000111.9G65 L66 S67 S72 D73G65-S69 WeakPolarHBondContact O-CB 3.44Å; G65-S69 PolarHBondContact O-N 2.95Å; G65-S69 PolarHBondContact O-OG 3.03Å; L66-S69 PolarHBondContact O-N 2.95Å; S67-S69 VanDerWaalsContact C-N 3.33Å; S67-S69 PolarHBondContact O-N 3.35Å; S69-S72 PolarHBondContact O-N 3.28Å; S69-D73 PolarHBondContact O-N 3.04Å
70Y96.8Very high97.2Very high54 Ų5427.5 Ų27.521%0.21215%0.147CC..Hα-helixtrans-65.1-41.2175.6-174.1-88.6000111.4T37 A40 G41 L44 L66 S67 G68 S72 D73 E74T37-Y70 HydrophobicContact CG2-CD2 3.6Å; T37-Y70 HydrophobicContact CG2-CE2 4.12Å; A40-Y70 HydrophobicContact CB-CD1 4.24Å; A40-Y70 HydrophobicContact CB-CG 4.24Å; G41-Y70 VanDerWaalsContact CA-CZ 3.43Å; L44-Y70 HydrophobicContact CB-CE1 4.46Å; L44-Y70 HydrophobicContact CD2-CD1 4.39Å; L44-Y70 HydrophobicContact CD2-CE1 3.9Å; L66-Y70 PolarHBondContact O-N 2.85Å; S67-Y70 WeakPolarHBondContact O-CA 3.42Å; S67-Y70 VanDerWaalsContact O-CB 3.28Å; S67-Y70 WeakPolarHBondContact O-CB 3.48Å; S67-Y70 PolarHBondContact O-N 3.05Å; G68-Y70 PolarHBondContact O-N 2.86Å; Y70-S72 VanDerWaalsContact C-N 3.31Å; Y70-S72 PolarHBondContact O-N 3.39Å; Y70-D73 PolarHBondContact O-N 3.48Å; Y70-E74 HydrophobicContact CD1-CG 4.04Å; Y70-E74 HydrophobicContact CE1-CG 3.53Å; Y70-E74 WeakPolarHBondContact O-CG 3.3Å; Y70-E74 PolarHBondContact O-N 3.43Å; Y70-E74 PolarHBondContact OH-OE1 3.25Å
71L97.8Very high97.2Very high0 Ų027.7 Ų27.70%015%0.148CC..Hα-helixtrans-59.2-41.4174.8-60.7-178.4000112.3L44 L57 S67 G68 E74 G75 H76 W78 I120L44-L71 HydrophobicContact CD1-CD2 3.91Å; L44-L71 HydrophobicContact CD2-CD2 4.42Å; L57-L71 HydrophobicContact CB-CD1 4.04Å; L57-L71 HydrophobicContact CD1-CD1 3.98Å; L57-L71 HydrophobicContact CD1-CD2 3.69Å; L57-L71 HydrophobicContact CD1-CG 4.29Å; S67-L71 PolarHBondContact O-N 2.8Å; S67-L71 VanDerWaalsContact O-N 3.09Å; G68-L71 WeakPolarHBondContact O-CB 3.1Å; G68-L71 PolarHBondContact O-N 3.01Å; G68-L71 VanDerWaalsContact O-N 3.09Å; L71-E74 CarbonylContact O-C 3.58Å; L71-E74 PolarHBondContact O-N 2.89Å; L71-G75 PolarHBondContact O-N 2.74Å; L71-H76 HydrophobicContact CB-CB 4.47Å; L71-H76 PolarHBondContact O-N 3.34Å; L71-W78 HydrophobicContact CB-CG 4.3Å; L71-W78 HydrophobicContact CD1-CB 3.8Å; L71-W78 HydrophobicContact CD1-CG 4.05Å; L71-I120 HydrophobicContact CD1-CD1 3.73Å; L71-I120 HydrophobicContact CD1-CG1 4.13Å; L71-I120 HydrophobicContact CD2-CD1 3.79Å; L71-I120 HydrophobicContact CG-CD1 3.88Å
72S97.1Very high97.2Very high20 Ų2027.9 Ų27.914%0.1415%0.146CC..Hα-helixtrans-64.4-42174.9-670000112.4G68 S69 Y70 E74 G75 W78G68-S72 PolarHBondContact O-N 2.82Å; G68-S72 PolarHBondContact O-OG 3.34Å; S69-S72 PolarHBondContact O-N 3.28Å; Y70-S72 VanDerWaalsContact C-N 3.31Å; Y70-S72 PolarHBondContact O-N 3.39Å; S72-E74 PolarHBondContact O-N 3.15Å; S72-G75 PolarHBondContact O-N 3.16Å; S72-W78 PolarHBondContact OG-NE1 3.46Å
73D95.6Very high97.2Very high111 Ų11129.4 Ų29.459%0.59415%0.153SC*.Hα-helixtrans-62.9-30.1177.6-72.1-24.5000111.6S69 Y70 G75 R246S69-D73 PolarHBondContact O-N 3.04Å; Y70-D73 PolarHBondContact O-N 3.48Å; D73-G75 VanDerWaalsContact C-N 3.29Å; D73-R246 IonicContact OD1-NH1 2.77Å
74E95.8Very high97.2Very high98 Ų9829.2 Ų29.246%0.45815%0.151SC..THydrogen-bonded Turntrans-85.64.7173.7-61.9-71.7168.500113.3L44 Y70 L71 S72L44-E74 HydrophobicContact CD2-CB 3.72Å; L44-E74 HydrophobicContact CD2-CG 3.58Å; Y70-E74 HydrophobicContact CD1-CG 4.04Å; Y70-E74 HydrophobicContact CE1-CG 3.53Å; Y70-E74 WeakPolarHBondContact O-CG 3.3Å; Y70-E74 PolarHBondContact O-N 3.43Å; Y70-E74 PolarHBondContact OH-OE1 3.25Å; L71-E74 CarbonylContact O-C 3.58Å; L71-E74 PolarHBondContact O-N 2.89Å; S72-E74 PolarHBondContact O-N 3.15Å
75G96.2Very high97.2Very high41 Ų4132 Ų3242%0.42317%0.169SC..THydrogen-bonded Turntrans83.515.917300000115.6P54 L71 S72 D73P54-G75 WeakPolarHBondContact CB-O 3.39Å; L71-G75 PolarHBondContact O-N 2.74Å; S72-G75 PolarHBondContact O-N 3.16Å; D73-G75 VanDerWaalsContact C-N 3.29Å
76H97.9Very high97.2Very high23 Ų2332.6 Ų32.611%0.10617%0.174CC..  trans-94.8152.9175.9-58.4-69000112.4C55 L57 L71C55-H76 PolarHBondContact N-ND1 2.86Å; C55-H76 VanDerWaalsContact N-ND1 3.2Å; L57-H76 HydrophobicContact CD1-CB 3.76Å; L57-H76 HydrophobicContact CG-CB 4.25Å; L71-H76 HydrophobicContact CB-CB 4.47Å; L71-H76 PolarHBondContact O-N 3.34Å
77Y98.4Very high97.2Very high156 Ų15632.6 Ų32.661%0.61217%0.174SC*.EExtended strand (participates in β ladder)trans-93.8145.7170.5-57-77.8000108.7P54 C55 Y56 L57P54-Y77 HydrophobicContact CB-CD2 4.14Å; P54-Y77 HydrophobicContact CB-CE2 3.72Å; C55-Y77 PolarHBondContact O-N 2.82Å; Y56-Y77 CarbonylContact C-O 3.57Å; Y56-Y77 WeakPolarHBondContact CA-O 3.08Å; L57-Y77 PolarHBondContact N-O 2.92Å
78W98.6Very high97.2Very high7 Ų733 Ų333%0.02718%0.176CC..EExtended strand (participates in β ladder)trans-152.4160.1-177.164.4-83000113.8L57 D59 C62 G68 L71 S72 I96 G98 D99 L100L57-W78 HydrophobicContact CB-CB 4.26Å; L57-W78 CarbonylContact O-C 3.56Å; L57-W78 WeakPolarHBondContact O-CA 3.23Å; L57-W78 WeakPolarHBondContact O-CB 3.34Å; D59-W78 HydrophobicContact CB-CE3 4.02Å; D59-W78 HydrophobicContact CB-CZ3 4.37Å; C62-W78 HydrophobicContact CB-CZ3 4.37Å; G68-W78 VanDerWaalsContact O-CE2 3.32Å; G68-W78 PolarHBondContact O-NE1 2.74Å; L71-W78 HydrophobicContact CB-CG 4.3Å; L71-W78 HydrophobicContact CD1-CB 3.8Å; L71-W78 HydrophobicContact CD1-CG 4.05Å; S72-W78 PolarHBondContact OG-NE1 3.46Å; W78-I96 HydrophobicContact CH2-CD1 3.32Å; W78-I96 HydrophobicContact CZ2-CB 4.17Å; W78-I96 HydrophobicContact CZ2-CD1 3.7Å; W78-I96 HydrophobicContact CZ3-CD1 4.36Å; W78-G98 VanDerWaalsContact O-CA 3.31Å; W78-G98 WeakPolarHBondContact O-CA 3.31Å; W78-D99 PolarHBondContact O-N 3.19Å; W78-L100 HydrophobicContact CH2-CD2 4.24Å; W78-L100 HydrophobicContact CZ3-CD2 4.22Å
79V98.8Very high97.2Very high3 Ų337.7 Ų37.72%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-126.2132.1172.1179.70000108.9Y56 L57 D59 D99 L101 F111 F116Y56-V79 HydrophobicContact CE2-CG2 3.78Å; Y56-V79 WeakPolarHBondContact OH-CG2 2.97Å; L57-V79 PolarHBondContact O-N 3.06Å; D59-V79 PolarHBondContact N-O 3.14Å; V79-D99 CarbonylContact C-O 3.56Å; V79-D99 WeakPolarHBondContact CA-O 3.39Å; V79-D99 HydrophobicContact CG1-CB 4.49Å; V79-D99 HydrophobicContact CG2-CB 4.33Å; V79-L101 HydrophobicContact CG1-CD1 3.09Å; V79-F111 HydrophobicContact CG1-CE1 4.19Å; V79-F111 HydrophobicContact CG1-CZ 3.66Å; V79-F116 HydrophobicContact CB-CE1 4.17Å; V79-F116 HydrophobicContact CB-CZ 4.36Å; V79-F116 HydrophobicContact CG2-CE1 4.23Å
80G98.6Very high97.1Very high0 Ų038.1 Ų38.10%020%0.2CC..EExtended strand (participates in β ladder)trans-101136.4178.600000112.4D59 C62 D99 L101D59-G80 WeakPolarHBondContact O-CA 3.3Å; C62-G80 VanDerWaalsContact SG-C 3.58Å; C62-G80 VanDerWaalsContact SG-CA 3.51Å; G80-D99 PolarHBondContact N-O 3.32Å; G80-L101 PolarHBondContact O-N 3.02Å
81L98.6Very high97Very high5 Ų535.6 Ų35.63%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-114.9127.5168.2-17385.9000108.7D59 I60 G61 C62 L101 M105D59-L81 PolarHBondContact O-N 3.3Å; I60-L81 HydrophobicContact CD1-CB 3.98Å; I60-L81 HydrophobicContact CD1-CD2 3.9Å; G61-L81 VanDerWaalsContact CA-O 3.26Å; G61-L81 WeakPolarHBondContact CA-O 3.46Å; G61-L81 PolarHBondContact N-O 2.99Å; C62-L81 PolarHBondContact N-O 3.08Å; C62-L81 VanDerWaalsContact N-O 3.12Å; L81-L101 WeakPolarHBondContact CA-O 3.45Å; L81-L101 HydrophobicContact CD1-CB 3.9Å; L81-M105 HydrophobicContact CD2-CB 3.85Å
82D98.5Very high96.8Very high18 Ų1838.9 Ų38.910%0.09621%0.21CC..EExtended strand (participates in β ladder)trans-142.4153.9169.8-155-78.6000111.1G61 C62 G63 S84 L88 L101 L102 G103G61-D82 WeakPolarHBondContact CA-OD2 3.34Å; C62-D82 PolarHBondContact N-OD2 3.05Å; G63-D82 WeakPolarHBondContact CA-OD2 3.39Å; G63-D82 PolarHBondContact N-OD2 3.3Å; D82-S84 PolarHBondContact OD1-N 2.71Å; D82-L88 HydrophobicContact CB-CD1 4.41Å; D82-L88 HydrophobicContact CB-CD2 3.64Å; D82-L88 HydrophobicContact CB-CG 4.01Å; D82-L101 PolarHBondContact N-O 3.36Å; D82-L102 CarbonylContact O-C 3.52Å; D82-L102 WeakPolarHBondContact O-CA 3.32Å; D82-G103 CarbonylContact C-O 3.59Å; D82-G103 VanDerWaalsContact C-O 3.31Å; D82-G103 PolarHBondContact O-N 2.86Å
83I97.2Very high96.5Very high35 Ų3540.9 Ų40.918%0.17922%0.219CC..SBendtrans-91.3-20.6-178.9-161.3176.3000112.2P14 E15 P85 L102 G103 D104P14-I83 HydrophobicContact CB-CG2 3.88Å; P14-I83 HydrophobicContact CG-CD1 4.37Å; P14-I83 HydrophobicContact CG-CG2 3.64Å; E15-I83 HydrophobicContact CB-CG1 4.29Å; E15-I83 HydrophobicContact CB-CG2 4.44Å; I83-P85 WeakPolarHBondContact O-CD 3.39Å; I83-L102 WeakPolarHBondContact O-CD1 3.26Å; I83-G103 WeakPolarHBondContact CA-O 3.4Å; I83-G103 PolarHBondContact N-O 2.77Å; I83-D104 HydrophobicContact CD1-CB 3.77Å; I83-D104 HydrophobicContact CG1-CB 4.17Å
84S96.9Very high96.2Very high1 Ų139.2 Ų39.21%0.00721%0.205CC..  trans-89.5115.5-179.6169.40000111.2Y18 D82 A86 M87 L88Y18-S84 PolarHBondContact O-OG 2.62Å; D82-S84 PolarHBondContact OD1-N 2.71Å; S84-A86 VanDerWaalsContact C-N 3.32Å; S84-A86 PolarHBondContact O-N 3.47Å; S84-A86 PolarHBondContact OG-N 3.34Å; S84-M87 PolarHBondContact O-N 2.85Å; S84-M87 WeakPolarHBondContact OG-CG 3.49Å; S84-M87 PolarHBondContact OG-N 3.3Å; S84-M87 VanDerWaalsContact OG-N 3.17Å; S84-L88 WeakPolarHBondContact O-CG 3.48Å; S84-L88 PolarHBondContact O-N 3.03Å
85P96.9Very high95.8Very high60 Ų6036.7 Ų36.739%0.3919%0.193SC..Hα-helixtrans-59.2-42.5173-22.433.6000112.2I83 M87 L88 D89 L102I83-P85 WeakPolarHBondContact O-CD 3.39Å; P85-M87 VanDerWaalsContact C-N 3.3Å; P85-M87 PolarHBondContact O-N 3.1Å; P85-L88 PolarHBondContact O-N 3.15Å; P85-L88 VanDerWaalsContact O-N 3.1Å; P85-D89 VanDerWaalsContact O-CG 3.32Å; P85-D89 PolarHBondContact O-N 3.3Å; P85-L102 HydrophobicContact CB-CD1 4.48Å; P85-L102 HydrophobicContact CG-CD1 3.88Å; P85-L102 HydrophobicContact CG-CD2 4.2Å
86A96Very high95.6Very high13 Ų1336 Ų3611%0.10718%0.179CC..Hα-helixtrans-63.9-34.4-178.200000112.8E20 A23 S84 E90E20-A86 HydrophobicContact CG-CB 4.31Å; A23-A86 HydrophobicContact CB-CB 4.2Å; S84-A86 VanDerWaalsContact C-N 3.32Å; S84-A86 PolarHBondContact O-N 3.47Å; S84-A86 PolarHBondContact OG-N 3.34Å; A86-E90 WeakPolarHBondContact O-CG 3.36Å; A86-E90 PolarHBondContact O-N 3.44Å
87M96.4Very high95.4Very high7 Ų742.1 Ų42.13%0.03421%0.208CC..Hα-helixtrans-68.4-40.7174.2-67.4-75.6-87.300111.3Y18 A23 Y26 G63 T64 S84 P85 E90 A91Y18-M87 HydrophobicContact CD1-CE 3.98Å; Y18-M87 HydrophobicContact CD1-CG 4.45Å; Y18-M87 HydrophobicContact CD1-SD 3.85Å; Y18-M87 HydrophobicContact CE1-CE 4.19Å; Y18-M87 HydrophobicContact CG-CE 4.29Å; Y18-M87 HydrophobicContact CG-CG 4.13Å; Y18-M87 HydrophobicContact CG-SD 4.13Å; A23-M87 HydrophobicContact CB-CG 4.31Å; A23-M87 HydrophobicContact CB-SD 3.75Å; Y26-M87 HydrophobicContact CD1-CE 4.03Å; Y26-M87 HydrophobicContact CE1-CE 4.19Å; Y26-M87 HydrophobicContact CG-CE 4.31Å; G63-M87 CarbonylContact O-C 3.58Å; T64-M87 WeakPolarHBondContact CA-O 3.42Å; T64-M87 HydrophobicContact CG2-CB 4.33Å; T64-M87 HydrophobicContact CG2-CE 4Å; T64-M87 HydrophobicContact CG2-SD 3.59Å; T64-M87 VanDerWaalsContact CG2-SD 3.59Å; S84-M87 PolarHBondContact O-N 2.85Å; S84-M87 WeakPolarHBondContact OG-CG 3.49Å; S84-M87 PolarHBondContact OG-N 3.3Å; S84-M87 VanDerWaalsContact OG-N 3.17Å; P85-M87 VanDerWaalsContact C-N 3.3Å; P85-M87 PolarHBondContact O-N 3.1Å; M87-E90 PolarHBondContact O-N 2.89Å; M87-A91 PolarHBondContact O-N 3.05Å
88L96.9Very high95.3Very high13 Ų1335.2 Ų35.27%0.06818%0.184CC..Hα-helixtrans-67.8-38.1176.5-64.7-178.6000112.2D82 S84 P85 E90 A91 V92 L100 L102D82-L88 HydrophobicContact CB-CD1 4.41Å; D82-L88 HydrophobicContact CB-CD2 3.64Å; D82-L88 HydrophobicContact CB-CG 4.01Å; S84-L88 WeakPolarHBondContact O-CG 3.48Å; S84-L88 PolarHBondContact O-N 3.03Å; P85-L88 PolarHBondContact O-N 3.15Å; P85-L88 VanDerWaalsContact O-N 3.1Å; L88-E90 VanDerWaalsContact C-N 3.31Å; L88-E90 PolarHBondContact O-N 3.41Å; L88-A91 WeakPolarHBondContact O-CA 3.36Å; L88-A91 VanDerWaalsContact O-CB 3.3Å; L88-A91 WeakPolarHBondContact O-CB 3.39Å; L88-A91 PolarHBondContact O-N 2.99Å; L88-V92 WeakPolarHBondContact O-CG2 3.46Å; L88-V92 PolarHBondContact O-N 3.01Å; L88-L100 HydrophobicContact CD2-CB 4.19Å; L88-L100 HydrophobicContact CD2-CD1 4.23Å; L88-L100 HydrophobicContact CD2-CD2 4Å; L88-L100 HydrophobicContact CD2-CG 4.37Å; L88-L102 HydrophobicContact CD1-CB 3.86Å; L88-L102 HydrophobicContact CD1-CD1 4Å
89D95.7Very high95.3Very high99 Ų9940.2 Ų40.253%0.52921%0.212SC..Hα-helixtrans-60.1-43.3174.9-71-28.2000111P85 A91 V92 D93P85-D89 VanDerWaalsContact O-CG 3.32Å; P85-D89 PolarHBondContact O-N 3.3Å; D89-A91 VanDerWaalsContact C-N 3.32Å; D89-A91 PolarHBondContact O-N 3.45Å; D89-V92 PolarHBondContact O-N 2.83Å; D89-D93 PolarHBondContact O-N 3.02Å
90E94.4Very high95.2Very high37 Ų3742.4 Ų42.417%0.17322%0.223CC..Hα-helixtrans-64-35.8172.6-72-68.9152.700112.3A23 R24 V27 T64 A86 M87 L88 D93 R94A23-E90 HydrophobicContact CB-CG 3.89Å; R24-E90 WeakPolarHBondContact CG-OE1 3.41Å; V27-E90 HydrophobicContact CG2-CB 4.04Å; V27-E90 HydrophobicContact CG2-CG 4.31Å; T64-E90 HydrophobicContact CG2-CB 3.78Å; A86-E90 WeakPolarHBondContact O-CG 3.36Å; A86-E90 PolarHBondContact O-N 3.44Å; M87-E90 PolarHBondContact O-N 2.89Å; L88-E90 VanDerWaalsContact C-N 3.31Å; L88-E90 PolarHBondContact O-N 3.41Å; E90-D93 PolarHBondContact O-N 3.45Å; E90-R94 VanDerWaalsContact O-CG 3.23Å; E90-R94 WeakPolarHBondContact O-CG 3.28Å; E90-R94 PolarHBondContact O-N 3.44Å; E90-R94 VanDerWaalsContact O-N 3.1Å
91A94.9Very high95.2Very high0 Ų044.8 Ų44.80%024%0.235CC..Hα-helixtrans-63.7-44.4174.600000111.6T64 M87 L88 D89 D93 R94 E95 I96 L100T64-A91 WeakPolarHBondContact O-CA 3.26Å; T64-A91 WeakPolarHBondContact O-CB 3.35Å; M87-A91 PolarHBondContact O-N 3.05Å; L88-A91 WeakPolarHBondContact O-CA 3.36Å; L88-A91 VanDerWaalsContact O-CB 3.3Å; L88-A91 WeakPolarHBondContact O-CB 3.39Å; L88-A91 PolarHBondContact O-N 2.99Å; D89-A91 VanDerWaalsContact C-N 3.32Å; D89-A91 PolarHBondContact O-N 3.45Å; A91-D93 VanDerWaalsContact C-N 3.28Å; A91-D93 PolarHBondContact O-N 2.69Å; A91-R94 PolarHBondContact O-N 3.35Å; A91-R94 VanDerWaalsContact O-N 3.15Å; A91-E95 PolarHBondContact O-N 3.3Å; A91-I96 HydrophobicContact CB-CD1 4.2Å; A91-L100 HydrophobicContact CB-CD1 3.55Å; A91-L100 HydrophobicContact CB-CD2 4.46Å
92V93.4Very high95.2Very high70 Ų7049.9 Ų49.942%0.42426%0.262SS..Hα-helixtrans-58.3-42.9174.3172.10000110.6L88 D89 R94 E95 L100L88-V92 WeakPolarHBondContact O-CG2 3.46Å; L88-V92 PolarHBondContact O-N 3.01Å; D89-V92 PolarHBondContact O-N 2.83Å; V92-R94 PolarHBondContact O-N 3Å; V92-E95 PolarHBondContact O-N 3.46Å; V92-L100 HydrophobicContact CG2-CD1 3.9Å
93D91.3Very high95.1Very high62 Ų6250 Ų5033%0.33227%0.268SS..Hα-helixtrans-65.4-26.7178.9-79.8-6000114.2D89 E90 A91 E95 R264D89-D93 PolarHBondContact O-N 3.02Å; E90-D93 PolarHBondContact O-N 3.45Å; A91-D93 VanDerWaalsContact C-N 3.28Å; A91-D93 PolarHBondContact O-N 2.69Å; D93-E95 PolarHBondContact O-N 2.94Å; D93-R264 IonicContact OD1-CZ 3.3Å; D93-R264 IonicContact OD1-NH1 3.67Å; D93-R264 PolarHBondContact OD1-NH1 2.88Å; D93-R264 IonicContact OD1-NH2 3.84Å; D93-R264 PolarHBondContact OD1-NH2 3.22Å; D93-R264 IonicContact OD2-CZ 3.49Å; D93-R264 IonicContact OD2-NH1 2.82Å; D93-R264 IonicContact OD2-NH2 3.1Å; D93-R264 PolarHBondContact OD2-NH2 2.95Å
94R88.9Confident95.1Very high76 Ų7649.5 Ų49.529%0.28727%0.266SS..THydrogen-bonded Turntrans-80.3-4.6174.8-68.9174.468.6-143.4-11.9113.4V27 T64 L66 E90 A91 V92 I96V27-R94 HydrophobicContact CG1-CG 4.41Å; T64-R94 PolarHBondContact O-NH1 3.09Å; L66-R94 VanDerWaalsContact CD2-NH1 3.29Å; L66-R94 VanDerWaalsContact CD2-NH2 3.28Å; L66-R94 VanDerWaalsContact CG-NH1 3.3Å; E90-R94 VanDerWaalsContact O-CG 3.23Å; E90-R94 WeakPolarHBondContact O-CG 3.28Å; E90-R94 PolarHBondContact O-N 3.44Å; E90-R94 VanDerWaalsContact O-N 3.1Å; A91-R94 PolarHBondContact O-N 3.35Å; A91-R94 VanDerWaalsContact O-N 3.15Å; V92-R94 PolarHBondContact O-N 3Å; R94-I96 VanDerWaalsContact C-N 3.32Å; R94-I96 HydrophobicContact CB-CG2 4.32Å; R94-I96 PolarHBondContact O-N 3.02Å
95E87.9Confident95.2Very high44 Ų4450.5 Ų50.521%0.20627%0.27CS..THydrogen-bonded Turntrans53.349179.8-66.5165-157.600112.1A91 V92 D93 K255 H259A91-E95 PolarHBondContact O-N 3.3Å; V92-E95 PolarHBondContact O-N 3.46Å; D93-E95 PolarHBondContact O-N 2.94Å; E95-K255 WeakPolarHBondContact OE1-CD 3.49Å; E95-K255 WeakPolarHBondContact OE1-CE 3.39Å; E95-K255 VanDerWaalsContact OE1-CG 3.26Å; E95-K255 WeakPolarHBondContact OE1-CG 3.4Å; E95-K255 IonicContact OE1-NZ 3.87Å; E95-K255 PolarHBondContact OE1-NZ 3.01Å; E95-K255 VanDerWaalsContact OE2-CD 3.25Å; E95-K255 WeakPolarHBondContact OE2-CD 3.5Å; E95-K255 WeakPolarHBondContact OE2-CE 3.19Å; E95-K255 IonicContact OE2-NZ 3.61Å; E95-K255 PolarHBondContact OE2-NZ 2.95Å; E95-H259 IonicContact OE1-CD2 3.27Å; E95-H259 IonicContact OE1-CE1 2.86Å; E95-H259 IonicContact OE1-NE2 2.75Å; E95-H259 PolarHBondContact OE1-NE2 3Å
96I92.4Very high95.2Very high26 Ų2647.9 Ų47.913%0.13325%0.254CS..  trans-63.2159171.461152.6000111.3W78 A91 R94 L100W78-I96 HydrophobicContact CH2-CD1 3.32Å; W78-I96 HydrophobicContact CZ2-CB 4.17Å; W78-I96 HydrophobicContact CZ2-CD1 3.7Å; W78-I96 HydrophobicContact CZ3-CD1 4.36Å; A91-I96 HydrophobicContact CB-CD1 4.2Å; R94-I96 VanDerWaalsContact C-N 3.32Å; R94-I96 HydrophobicContact CB-CG2 4.32Å; R94-I96 PolarHBondContact O-N 3.02Å; I96-L100 HydrophobicContact CD1-CD1 3.75Å; I96-L100 HydrophobicContact CD1-CD2 3.49Å; I96-L100 VanDerWaalsContact CD1-CD2 3.49Å; I96-L100 HydrophobicContact CD1-CG 3.65Å; I96-L100 HydrophobicContact CG1-CD1 4.45Å
97E93.4Very high95.2Very high152 Ų15254.5 Ų54.571%0.7128%0.283SS*.SBendtrans-91.1-24.9-177.3-62.1-176.1-166.600113.9
98G95.6Very high95.2Very high12 Ų1255 Ų5512%0.12429%0.29CS..SBendtrans-76.7154-179.800000113.4W78W78-G98 VanDerWaalsContact O-CA 3.31Å; W78-G98 WeakPolarHBondContact O-CA 3.31Å
99D98Very high95.2Very high112 Ų11254.8 Ų54.860%0.59929%0.289SS*.EExtended strand (participates in β ladder)trans-75.2144.2173.1-68.8-33.7000110.2W78 V79 G80W78-D99 PolarHBondContact O-N 3.19Å; V79-D99 CarbonylContact C-O 3.56Å; V79-D99 WeakPolarHBondContact CA-O 3.39Å; V79-D99 HydrophobicContact CG1-CB 4.49Å; V79-D99 HydrophobicContact CG2-CB 4.33Å; G80-D99 PolarHBondContact N-O 3.32Å
100L98.3Very high95.3Very high48 Ų4854.5 Ų54.525%0.25129%0.292SS..EExtended strand (participates in β ladder)trans-116.4134.7-178.1-64.5175.9000111.1W78 L88 A91 V92 I96W78-L100 HydrophobicContact CH2-CD2 4.24Å; W78-L100 HydrophobicContact CZ3-CD2 4.22Å; L88-L100 HydrophobicContact CD2-CB 4.19Å; L88-L100 HydrophobicContact CD2-CD1 4.23Å; L88-L100 HydrophobicContact CD2-CD2 4Å; L88-L100 HydrophobicContact CD2-CG 4.37Å; A91-L100 HydrophobicContact CB-CD1 3.55Å; A91-L100 HydrophobicContact CB-CD2 4.46Å; V92-L100 HydrophobicContact CG2-CD1 3.9Å; I96-L100 HydrophobicContact CD1-CD1 3.75Å; I96-L100 HydrophobicContact CD1-CD2 3.49Å; I96-L100 VanDerWaalsContact CD1-CD2 3.49Å; I96-L100 HydrophobicContact CD1-CG 3.65Å; I96-L100 HydrophobicContact CG1-CD1 4.45Å
101L98.1Very high95.5Very high50 Ų5055.3 Ų55.326%0.26230%0.295SS..EExtended strand (participates in β ladder)trans-121.9127.5174.4-69.784.9000110V79 G80 L81 D82 G103 F111V79-L101 HydrophobicContact CG1-CD1 3.09Å; G80-L101 PolarHBondContact O-N 3.02Å; L81-L101 WeakPolarHBondContact CA-O 3.45Å; L81-L101 HydrophobicContact CD1-CB 3.9Å; D82-L101 PolarHBondContact N-O 3.36Å; L101-G103 PolarHBondContact O-N 3.46Å; L101-F111 HydrophobicContact CD1-CZ 3.92Å; L101-F111 HydrophobicContact CD2-CE1 4.3Å; L101-F111 HydrophobicContact CD2-CE2 4.41Å; L101-F111 HydrophobicContact CD2-CZ 3.68Å; L101-F111 HydrophobicContact CG-CZ 4.47Å
102L98.3Very high95.6Very high112 Ų11263.2 Ų63.259%0.58633%0.33SS*.EExtended strand (participates in β ladder)trans-75.7118.1165.3-178.965.9000108.9D82 I83 P85 L88D82-L102 CarbonylContact O-C 3.52Å; D82-L102 WeakPolarHBondContact O-CA 3.32Å; I83-L102 WeakPolarHBondContact O-CD1 3.26Å; P85-L102 HydrophobicContact CB-CD1 4.48Å; P85-L102 HydrophobicContact CG-CD1 3.88Å; P85-L102 HydrophobicContact CG-CD2 4.2Å; L88-L102 HydrophobicContact CD1-CB 3.86Å; L88-L102 HydrophobicContact CD1-CD1 4Å
103G97.3Very high95.9Very high22 Ų2264.6 Ų64.623%0.22734%0.34CS..  trans-172.3153.317900000114.5D82 I83 L101D82-G103 CarbonylContact C-O 3.59Å; D82-G103 VanDerWaalsContact C-O 3.31Å; D82-G103 PolarHBondContact O-N 2.86Å; I83-G103 WeakPolarHBondContact CA-O 3.4Å; I83-G103 PolarHBondContact N-O 2.77Å; L101-G103 PolarHBondContact O-N 3.46Å
104D97Very high96.1Very high24 Ų2463.4 Ų63.413%0.12834%0.343CS..  trans-90.2108.1174.8179.4-2.4000110.1I83 G106 Q107 R141I83-D104 HydrophobicContact CD1-CB 3.77Å; I83-D104 HydrophobicContact CG1-CB 4.17Å; D104-G106 PolarHBondContact O-N 3.04Å; D104-G106 WeakPolarHBondContact OD1-CA 3.28Å; D104-G106 PolarHBondContact OD1-N 3.12Å; D104-Q107 HydrophobicContact CB-CG 4.03Å; D104-Q107 PolarHBondContact O-N 2.75Å; D104-Q107 PolarHBondContact OD2-NE2 3.05Å; D104-R141 IonicContact OD1-CZ 3.56Å; D104-R141 IonicContact OD1-NH2 2.71Å; D104-R141 PolarHBondContact OD1-NH2 3.31Å; D104-R141 IonicContact OD2-CZ 2.9Å; D104-R141 IonicContact OD2-NH1 2.95Å; D104-R141 IonicContact OD2-NH2 3.98Å; D104-R141 PolarHBondContact OD2-NH2 3.15Å
105M97.3Very high96.6Very high22 Ų2261.9 Ų61.911%0.10834%0.342CS..G310 helixtrans-55.9-25178.166173133.300113.7I60 L81 Q107 G108 A124 L128 F145I60-M105 HydrophobicContact CG2-CB 4.01Å; I60-M105 HydrophobicContact CG2-CE 4.44Å; I60-M105 HydrophobicContact CG2-CG 4.32Å; I60-M105 HydrophobicContact CG2-SD 3.39Å; I60-M105 WeakPolarHBondContact CG2-SD 3.27Å; L81-M105 HydrophobicContact CD2-CB 3.85Å; M105-Q107 PolarHBondContact O-N 2.93Å; M105-G108 PolarHBondContact O-N 3.09Å; M105-A124 HydrophobicContact CE-CB 3.96Å; M105-A124 WeakPolarHBondContact CE-O 3.17Å; M105-L128 HydrophobicContact CE-CG 4.45Å; M105-L128 HydrophobicContact CG-CD1 4Å; M105-L128 HydrophobicContact CG-CD2 3.99Å; M105-L128 HydrophobicContact CG-CG 4.18Å; M105-L128 HydrophobicContact SD-CD1 3.97Å; M105-L128 HydrophobicContact SD-CG 4.17Å; M105-F145 HydrophobicContact CB-CD2 3.9Å; M105-F145 HydrophobicContact CB-CE2 4.2Å; M105-F145 HydrophobicContact CG-CD2 4.34Å; M105-F145 WeakPolarHBondContact O-CB 3.49Å; M105-F145 HydrophobicContact SD-CD2 4.4Å; M105-F145 HydrophobicContact SD-CE2 4.24Å
106G96.9Very high97.1Very high5 Ų559.8 Ų59.85%0.05233%0.332CS..G310 helixtrans-74.6-9.4178.100000114.3D104D104-G106 PolarHBondContact O-N 3.04Å; D104-G106 WeakPolarHBondContact OD1-CA 3.28Å; D104-G106 PolarHBondContact OD1-N 3.12Å
107Q96.4Very high97.3Very high151 Ų15161.4 Ų61.471%0.70634%0.341SS*.G310 helixtrans-98.4-2.6174.2-61.7178.728.100112.5D104 M105 C144D104-Q107 HydrophobicContact CB-CG 4.03Å; D104-Q107 PolarHBondContact O-N 2.75Å; D104-Q107 PolarHBondContact OD2-NE2 3.05Å; M105-Q107 PolarHBondContact O-N 2.93Å; Q107-C144 VanDerWaalsContact C-SG 3.54Å
108G96.4Very high97.6Very high17 Ų1754.1 Ų54.118%0.17531%0.307CS..  trans107.7166.2-179.500000113M105 S148M105-G108 PolarHBondContact O-N 3.09Å; G108-S148 VanDerWaalsContact CA-OG 3.28Å; G108-S148 WeakPolarHBondContact CA-OG 3.25Å
109I98Very high97.7Very high10 Ų1053.6 Ų53.65%0.05130%0.301CS..  trans-106.4116.5-175.1-52.5173.6000109.3L58 I60 F111 F145 S148 L149 V152L58-I109 HydrophobicContact CD2-CD1 4.1Å; L58-I109 HydrophobicContact CD2-CG2 3.8Å; I60-I109 HydrophobicContact CD1-CD1 3.92Å; I60-I109 HydrophobicContact CD1-CG1 4.32Å; I60-I109 HydrophobicContact CG1-CD1 4.47Å; I109-F111 VanDerWaalsContact C-N 3.29Å; I109-F111 HydrophobicContact CG2-CD2 3.53Å; I109-F111 HydrophobicContact CG2-CE2 3.89Å; I109-F111 PolarHBondContact O-N 3.4Å; I109-F145 HydrophobicContact CD1-CD2 4.15Å; I109-F145 HydrophobicContact CD1-CE2 3.95Å; I109-F145 HydrophobicContact CG1-CD2 4.44Å; I109-S148 PolarHBondContact N-OG 2.59Å; I109-L149 HydrophobicContact CD1-CB 3.65Å; I109-L149 HydrophobicContact CD1-CD1 3.68Å; I109-L149 HydrophobicContact CD1-CG 4.22Å; I109-V152 HydrophobicContact CG2-CG2 4.36Å
110P97.1Very high97.8Very high93 Ų9348.2 Ų48.260%0.60427%0.272SS*.  trans-86.853.4-16536.3-38.8000113.6
111F98.3Very high97.8Very high53 Ų5346 Ų4623%0.23226%0.261CS..SBendtrans-121165.5175.1-60.4-87.1000111.9L58 V79 L101 I109 F116 V152L58-F111 HydrophobicContact CD1-CE2 4.08Å; V79-F111 HydrophobicContact CG1-CE1 4.19Å; V79-F111 HydrophobicContact CG1-CZ 3.66Å; L101-F111 HydrophobicContact CD1-CZ 3.92Å; L101-F111 HydrophobicContact CD2-CE1 4.3Å; L101-F111 HydrophobicContact CD2-CE2 4.41Å; L101-F111 HydrophobicContact CD2-CZ 3.68Å; L101-F111 HydrophobicContact CG-CZ 4.47Å; I109-F111 VanDerWaalsContact C-N 3.29Å; I109-F111 HydrophobicContact CG2-CD2 3.53Å; I109-F111 HydrophobicContact CG2-CE2 3.89Å; I109-F111 PolarHBondContact O-N 3.4Å; F111-F116 HydrophobicContact CB-CE2 3.85Å; F111-F116 HydrophobicContact CB-CZ 4.49Å; F111-F116 HydrophobicContact CD1-CE2 4.07Å; F111-F116 AromaticContact CD1-CZ 3.84Å; F111-F116 HydrophobicContact CD1-CZ 3.84Å; F111-F116 AromaticContact CD2-CE2 3.58Å; F111-F116 HydrophobicContact CD2-CE2 3.58Å; F111-F116 AromaticContact CD2-CZ 3.87Å; F111-F116 HydrophobicContact CD2-CZ 3.87Å; F111-F116 AromaticContact CE1-CZ 3.98Å; F111-F116 HydrophobicContact CE1-CZ 3.98Å; F111-F116 HydrophobicContact CE2-CE2 4.14Å; F111-F116 HydrophobicContact CE2-CZ 4.02Å; F111-F116 AromaticContact CG-CE2 3.55Å; F111-F116 HydrophobicContact CG-CE2 3.55Å; F111-F116 AromaticContact CG-CZ 3.8Å; F111-F116 HydrophobicContact CG-CZ 3.8Å; F111-F116 HydrophobicContact CZ-CZ 4.07Å; F111-V152 HydrophobicContact CB-CB 4.37Å; F111-V152 HydrophobicContact CB-CG1 3.87Å
112K98.2Very high97.8Very high167 Ų16743.9 Ų43.973%0.72625%0.25SC*.  trans-69.2153.5176-67.7-178.6-178.5176.90110.4T115K112-T115 WeakPolarHBondContact O-CB 3.18Å; K112-T115 PolarHBondContact O-OG1 2.72Å
113P98.1Very high97.7Very high98 Ų9839.3 Ų39.364%0.63623%0.227SC*.THydrogen-bonded Turntrans-58.2141.9174.8-24.434.1000112.5T115 S151P113-T115 PolarHBondContact O-N 3.06Å; P113-S151 CarbonylContact C-O 3.5Å; P113-S151 WeakPolarHBondContact CA-O 3.34Å; P113-S151 WeakPolarHBondContact CB-O 3.38Å
114G97.1Very high97.7Very high38 Ų3838.7 Ų38.739%0.39222%0.22SC..THydrogen-bonded Turntrans64.732.5177.300000115.1S151 V152 V154G114-S151 PolarHBondContact N-O 2.93Å; G114-V152 CarbonylContact C-O 3.52Å; G114-V154 WeakPolarHBondContact O-CG2 3.4Å
115T98.3Very high97.7Very high43 Ų4337.5 Ų37.526%0.26421%0.213SC..  trans-80.6-39.8-179.9-64.20000112.6Y56 K112 P113 V152Y56-T115 HydrophobicContact CD1-CG2 4.14Å; Y56-T115 HydrophobicContact CE1-CG2 3.81Å; K112-T115 WeakPolarHBondContact O-CB 3.18Å; K112-T115 PolarHBondContact O-OG1 2.72Å; P113-T115 PolarHBondContact O-N 3.06Å; T115-V152 PolarHBondContact N-O 2.86Å
116F98.5Very high97.6Very high0 Ų036.7 Ų36.70%021%0.209CC..EExtended strand (participates in β ladder)trans-110136-168.4-60.3-77.8000112.8Y56 L58 V79 F111 G118 V152 L153 V154Y56-F116 AromaticContact CD1-CD1 3.76Å; Y56-F116 HydrophobicContact CD1-CD1 3.76Å; Y56-F116 AromaticContact CD1-CE1 3.92Å; Y56-F116 HydrophobicContact CD1-CE1 3.92Å; Y56-F116 AromaticContact CE1-CD1 3.96Å; Y56-F116 HydrophobicContact CE1-CD1 3.96Å; Y56-F116 AromaticContact CE1-CE1 3.61Å; Y56-F116 HydrophobicContact CE1-CE1 3.61Å; Y56-F116 HydrophobicContact CE1-CZ 4.4Å; Y56-F116 HydrophobicContact CE2-CE1 4.49Å; Y56-F116 HydrophobicContact CG-CD1 4.22Å; Y56-F116 HydrophobicContact CG-CE1 4.5Å; Y56-F116 AromaticContact CZ-CE1 3.95Å; Y56-F116 CarbonylContact O-C 3.59Å; Y56-F116 WeakPolarHBondContact O-CA 3.11Å; L58-F116 HydrophobicContact CB-CB 4.37Å; L58-F116 HydrophobicContact CB-CD1 3.86Å; L58-F116 HydrophobicContact CB-CD2 3.95Å; L58-F116 HydrophobicContact CB-CE1 4.07Å; L58-F116 HydrophobicContact CB-CE2 4.15Å; L58-F116 HydrophobicContact CB-CG 3.8Å; L58-F116 HydrophobicContact CB-CZ 4.21Å; L58-F116 HydrophobicContact CD1-CE1 4.3Å; L58-F116 HydrophobicContact CD1-CE2 4.03Å; L58-F116 HydrophobicContact CD1-CZ 3.83Å; L58-F116 HydrophobicContact CD2-CD2 4.03Å; L58-F116 HydrophobicContact CD2-CE2 3.98Å; L58-F116 HydrophobicContact CG-CD2 4.45Å; L58-F116 HydrophobicContact CG-CE2 4.29Å; L58-F116 HydrophobicContact CG-CZ 4.43Å; V79-F116 HydrophobicContact CB-CE1 4.17Å; V79-F116 HydrophobicContact CB-CZ 4.36Å; V79-F116 HydrophobicContact CG2-CE1 4.23Å; F111-F116 HydrophobicContact CB-CE2 3.85Å; F111-F116 HydrophobicContact CB-CZ 4.49Å; F111-F116 HydrophobicContact CD1-CE2 4.07Å; F111-F116 AromaticContact CD1-CZ 3.84Å; F111-F116 HydrophobicContact CD1-CZ 3.84Å; F111-F116 AromaticContact CD2-CE2 3.58Å; F111-F116 HydrophobicContact CD2-CE2 3.58Å; F111-F116 AromaticContact CD2-CZ 3.87Å; F111-F116 HydrophobicContact CD2-CZ 3.87Å; F111-F116 AromaticContact CE1-CZ 3.98Å; F111-F116 HydrophobicContact CE1-CZ 3.98Å; F111-F116 HydrophobicContact CE2-CE2 4.14Å; F111-F116 HydrophobicContact CE2-CZ 4.02Å; F111-F116 AromaticContact CG-CE2 3.55Å; F111-F116 HydrophobicContact CG-CE2 3.55Å; F111-F116 AromaticContact CG-CZ 3.8Å; F111-F116 HydrophobicContact CG-CZ 3.8Å; F111-F116 HydrophobicContact CZ-CZ 4.07Å; F116-G118 PolarHBondContact O-N 2.96Å; F116-V152 HydrophobicContact CD2-CB 4.12Å; F116-V152 HydrophobicContact CD2-CG2 4.05Å; F116-V152 HydrophobicContact CE2-CB 4.44Å; F116-V152 HydrophobicContact CE2-CG2 4.48Å; F116-V152 PolarHBondContact N-O 2.68Å; F116-L153 HydrophobicContact CB-CD2 4.21Å; F116-V154 WeakPolarHBondContact O-CG2 3.3Å; F116-V154 PolarHBondContact O-N 3.06Å
117D97.8Very high97.5Very high60 Ų6037.4 Ų37.432%0.32121%0.211SC..EExtended strand (participates in β ladder)trans-73.3-18.2176.3-63.3-53.5000112.3C55 Y56 S157C55-D117 WeakPolarHBondContact CA-OD2 3.39Å; C55-D117 HydrophobicContact CB-CB 3.9Å; Y56-D117 PolarHBondContact N-OD2 3.15Å; Y56-D117 PolarHBondContact O-N 3.03Å; D117-S157 VanDerWaalsContact C-OG 3.32Å; D117-S157 WeakPolarHBondContact O-CB 3.36Å; D117-S157 PolarHBondContact O-OG 3.04Å
118G98.3Very high97.5Very high0 Ų030.4 Ų30.40%018%0.178CC..EExtended strand (participates in β ladder)trans-172.9168.6176.100000112.4L57 L58 F116 R158L57-G118 WeakPolarHBondContact CA-O 3.4Å; L58-G118 PolarHBondContact N-O 3.38Å; F116-G118 PolarHBondContact O-N 2.96Å; G118-R158 VanDerWaalsContact CA-O 3.27Å; G118-R158 WeakPolarHBondContact CA-O 3.26Å
119C98.8Very high97.4Very high0 Ų030.6 Ų30.60%018%0.176CC..EExtended strand (participates in β ladder)trans-134.4136.8176.1169.80000111.4L58 L149 L153 R158 A159 V160L58-C119 HydrophobicContact CB-CB 4.2Å; L58-C119 CarbonylContact O-C 3.58Å; L58-C119 VanDerWaalsContact O-CA 3.26Å; L58-C119 WeakPolarHBondContact O-CA 3.41Å; L58-C119 PolarHBondContact O-SG 3.02Å; C119-L149 HydrophobicContact CB-CD1 3.88Å; C119-L153 HydrophobicContact CB-CD2 4Å; C119-R158 PolarHBondContact N-O 2.89Å; C119-A159 HydrophobicContact CB-CB 3.97Å; C119-A159 CarbonylContact O-C 3.57Å; C119-A159 VanDerWaalsContact O-CA 3.27Å; C119-A159 WeakPolarHBondContact O-CA 3.29Å; C119-V160 PolarHBondContact O-N 2.93Å
120I98.8Very high96.9Very high0 Ų031.6 Ų31.60%018%0.181CC..EExtended strand (participates in β ladder)trans-113.1154.7163.666.6169.5000110.8A43 L47 L58 D59 I60 L71 V160A43-I120 HydrophobicContact CB-CG2 4.14Å; L47-I120 HydrophobicContact CD1-CG2 3.41Å; L47-I120 VanDerWaalsContact CD1-CG2 3.41Å; L47-I120 HydrophobicContact CG-CG2 4.11Å; L58-I120 PolarHBondContact O-N 2.86Å; D59-I120 WeakPolarHBondContact CA-O 3.47Å; D59-I120 HydrophobicContact CB-CG1 4.25Å; I60-I120 PolarHBondContact N-O 3.44Å; L71-I120 HydrophobicContact CD1-CD1 3.73Å; L71-I120 HydrophobicContact CD1-CG1 4.13Å; L71-I120 HydrophobicContact CD2-CD1 3.79Å; L71-I120 HydrophobicContact CG-CD1 3.88Å; I120-V160 WeakPolarHBondContact CA-O 3.21Å
121S98.7Very high96.5Very high0 Ų029.8 Ų29.80%018%0.175CC..EExtended strand (participates in β ladder)trans-146.5125.7164.8-1760000108.6I60 V160 L161 Q162I60-S121 WeakPolarHBondContact O-CA 3.47Å; I60-S121 VanDerWaalsContact O-CB 3.31Å; I60-S121 WeakPolarHBondContact O-CB 3.47Å; I60-S121 PolarHBondContact O-OG 3.07Å; S121-V160 PolarHBondContact N-O 3.28Å; S121-V160 VanDerWaalsContact N-O 3.08Å; S121-L161 CarbonylContact O-C 3.53Å; S121-L161 WeakPolarHBondContact O-CA 3.48Å; S121-Q162 PolarHBondContact O-N 3.37Å
122I98.4Very high95.9Very high6 Ų630.2 Ų30.23%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-115.1110.4-176.4-51.8-59.8000110.1M39 A40 A43 A124 Q162M39-I122 HydrophobicContact CB-CG2 3.87Å; M39-I122 HydrophobicContact CE-CG2 3.71Å; A40-I122 HydrophobicContact CB-CG1 4.41Å; A43-I122 HydrophobicContact CB-CD1 3.67Å; I122-A124 PolarHBondContact O-N 2.85Å; I122-Q162 HydrophobicContact CD1-CB 3.94Å
123S96.2Very high95.2Very high17 Ų1727.6 Ų27.612%0.11917%0.168CC..SBendtrans63.631.9175.4-52.90000114.9Q126 Q162 Y164S123-Q126 VanDerWaalsContact C-OE1 3.29Å; S123-Q126 PolarHBondContact O-NE2 3.37Å; S123-Q162 WeakPolarHBondContact CA-O 3.42Å; S123-Q162 PolarHBondContact N-O 2.96Å; S123-Q162 VanDerWaalsContact N-OE1 3.12Å; S123-Q162 PolarHBondContact OG-OE1 3.16Å; S123-Y164 WeakPolarHBondContact OG-CE2 3.47Å
124A97Very high94.5Very high8 Ų833.6 Ų33.67%0.06618%0.184CC..  trans-119.8-40.3-175.600000115.6M105 I122 Q126 W127M105-A124 HydrophobicContact CE-CB 3.96Å; M105-A124 WeakPolarHBondContact CE-O 3.17Å; I122-A124 PolarHBondContact O-N 2.85Å; A124-Q126 PolarHBondContact O-N 3.34Å; A124-Q126 VanDerWaalsContact O-N 3.1Å; A124-W127 WeakPolarHBondContact O-CB 3.43Å; A124-W127 PolarHBondContact O-N 3.21Å; A124-W127 VanDerWaalsContact O-N 3.1Å
125V96.9Very high94.1Very high0 Ų037 Ų370%020%0.201CC..G310 helixtrans-62.9-27.4-169.3176.80000113.4W127 L128 L142 F145 L161 I174V125-W127 PolarHBondContact O-N 2.9Å; V125-W127 VanDerWaalsContact O-N 3.11Å; V125-L128 WeakPolarHBondContact O-CB 3.23Å; V125-L128 PolarHBondContact O-N 2.82Å; V125-L142 HydrophobicContact CG1-CD2 4.24Å; V125-F145 HydrophobicContact CG1-CE1 4.27Å; V125-F145 HydrophobicContact CG2-CE1 4.07Å; V125-F145 HydrophobicContact CG2-CZ 4.13Å; V125-L161 HydrophobicContact CG2-CB 4.23Å; V125-L161 HydrophobicContact CG2-CD1 4.21Å; V125-L161 HydrophobicContact CG2-CD2 4.36Å; V125-L161 HydrophobicContact CG2-CG 4.49Å; V125-I174 HydrophobicContact CG1-CG2 4.49Å
126Q95.4Very high93.8Very high4 Ų436.5 Ų36.52%0.01920%0.196CC..G310 helixtrans-61.4-22.3178.974.6-76.7-5.300113.4E9 S123 A124 L128 C129 Q170E9-Q126 HydrophobicContact CG-CG 4.12Å; E9-Q126 WeakPolarHBondContact OE1-CG 2.97Å; E9-Q126 PolarHBondContact OE1-NE2 3.43Å; S123-Q126 VanDerWaalsContact C-OE1 3.29Å; S123-Q126 PolarHBondContact O-NE2 3.37Å; A124-Q126 PolarHBondContact O-N 3.34Å; A124-Q126 VanDerWaalsContact O-N 3.1Å; Q126-L128 PolarHBondContact O-N 3.04Å; Q126-C129 WeakPolarHBondContact O-CB 3.39Å; Q126-C129 PolarHBondContact O-N 3.3Å; Q126-C129 VanDerWaalsContact O-N 3.16Å; Q126-Q170 PolarHBondContact O-NE2 3.1Å
127W95.2Very high93.6Very high21 Ų2140 Ų408%0.0822%0.215CC..G310 helixtrans-63.8-26.2175.5-71.391000112.8P8 E9 G12 P14 F17 Y18 A124 V125 C129 N130P8-W127 HydrophobicContact CB-CH2 3.58Å; P8-W127 HydrophobicContact CB-CZ2 3.55Å; E9-W127 HydrophobicContact CB-CE3 4.29Å; E9-W127 HydrophobicContact CB-CZ3 4.42Å; E9-W127 HydrophobicContact CG-CD2 3.82Å; E9-W127 HydrophobicContact CG-CE3 3.99Å; E9-W127 HydrophobicContact CG-CG 4.24Å; E9-W127 HydrophobicContact CG-CZ2 4.38Å; E9-W127 HydrophobicContact CG-CZ3 4.36Å; G12-W127 WeakPolarHBondContact O-CZ3 2.94Å; P14-W127 HydrophobicContact CB-CD2 3.83Å; P14-W127 HydrophobicContact CB-CE3 3.61Å; P14-W127 HydrophobicContact CB-CG 4.43Å; P14-W127 HydrophobicContact CB-CH2 4.26Å; P14-W127 HydrophobicContact CB-CZ2 4.48Å; P14-W127 HydrophobicContact CB-CZ3 3.82Å; P14-W127 HydrophobicContact CG-CD2 4.32Å; P14-W127 HydrophobicContact CG-CE3 3.94Å; P14-W127 HydrophobicContact CG-CZ3 4.46Å; F17-W127 HydrophobicContact CB-CH2 4.06Å; F17-W127 HydrophobicContact CD1-CH2 4.02Å; F17-W127 HydrophobicContact CD1-CZ2 4.4Å; F17-W127 AromaticContact CG-CH2 3.98Å; F17-W127 HydrophobicContact CG-CH2 3.98Å; Y18-W127 HydrophobicContact CD2-CZ2 4.41Å; Y18-W127 HydrophobicContact CE2-CH2 4.32Å; Y18-W127 AromaticContact CE2-CZ2 3.61Å; Y18-W127 HydrophobicContact CE2-CZ2 3.61Å; A124-W127 WeakPolarHBondContact O-CB 3.43Å; A124-W127 PolarHBondContact O-N 3.21Å; A124-W127 VanDerWaalsContact O-N 3.1Å; V125-W127 PolarHBondContact O-N 2.9Å; V125-W127 VanDerWaalsContact O-N 3.11Å; W127-C129 PolarHBondContact O-N 2.91Å; W127-N130 PolarHBondContact O-N 3.38Å
128L95.8Very high93.5Very high4 Ų438.4 Ų38.42%0.02121%0.208CC..G310 helixtrans-72.2-12177.2-66.7-177.4000113.7M105 V125 Q126 N130 P138 L142 F145M105-L128 HydrophobicContact CE-CG 4.45Å; M105-L128 HydrophobicContact CG-CD1 4Å; M105-L128 HydrophobicContact CG-CD2 3.99Å; M105-L128 HydrophobicContact CG-CG 4.18Å; M105-L128 HydrophobicContact SD-CD1 3.97Å; M105-L128 HydrophobicContact SD-CG 4.17Å; V125-L128 WeakPolarHBondContact O-CB 3.23Å; V125-L128 PolarHBondContact O-N 2.82Å; Q126-L128 PolarHBondContact O-N 3.04Å; L128-N130 VanDerWaalsContact C-N 3.28Å; L128-P138 WeakPolarHBondContact O-CA 3.34Å; L128-P138 WeakPolarHBondContact O-CB 3.32Å; L128-L142 HydrophobicContact CB-CD2 3.68Å; L128-L142 HydrophobicContact CB-CG 3.98Å; L128-L142 HydrophobicContact CD1-CD2 3.96Å; L128-L142 HydrophobicContact CG-CD2 4.49Å; L128-F145 HydrophobicContact CD1-CB 3.72Å; L128-F145 HydrophobicContact CD1-CD1 3.92Å; L128-F145 HydrophobicContact CD1-CD2 4.44Å; L128-F145 HydrophobicContact CD1-CG 3.75Å
129C93.7Very high93.5Very high20 Ų2039.9 Ų39.914%0.13522%0.22CC..G310 helixtrans-81.5-12.5177.5-58.80000112.8Q126 W127 P138 Q170Q126-C129 WeakPolarHBondContact O-CB 3.39Å; Q126-C129 PolarHBondContact O-N 3.3Å; Q126-C129 VanDerWaalsContact O-N 3.16Å; W127-C129 PolarHBondContact O-N 2.91Å; C129-P138 WeakPolarHBondContact O-CG 3.2Å; C129-Q170 HydrophobicContact CB-CG 3.68Å; C129-Q170 WeakPolarHBondContact SG-CG 3.36Å; C129-Q170 PolarHBondContact SG-NE2 3.45Å
130N89.2Confident93.4Very high31 Ų3147.1 Ų47.117%0.16625%0.252CS..  trans-101.7135.9-177.1-69.745000109.7E9 W127 L128E9-N130 WeakPolarHBondContact CB-ND2 3.47Å; E9-N130 PolarHBondContact O-ND2 3.5Å; W127-N130 PolarHBondContact O-N 3.38Å; L128-N130 VanDerWaalsContact C-N 3.28Å
131A88.5Confident93.3Very high56 Ų5649.1 Ų49.146%0.46326%0.259SS..  trans-104.3108.9172.600000108.8E136 P138A131-E136 HydrophobicContact CB-CB 4.06Å; A131-E136 WeakPolarHBondContact CB-O 3.36Å; A131-P138 HydrophobicContact CB-CG 4.12Å
132N85.1Confident93.3Very high61 Ų6149.1 Ų49.133%0.32626%0.259SS..SBendtrans-88.9-18.2176.4-66.4-65.8000111.8G12 P13 E136G12-N132 VanDerWaalsContact C-OD1 3.26Å; G12-N132 WeakPolarHBondContact CA-OD1 3.5Å; P13-N132 WeakPolarHBondContact CA-ND2 3.28Å; P13-N132 HydrophobicContact CG-CB 3.74Å; N132-E136 PolarHBondContact N-OE2 2.83Å
133K84.5Confident93.3Very high112 Ų11253.4 Ų53.449%0.48728%0.275SS..SBendtrans-123148.9176.1-59.7169.6-172.3158.60110.4S135 E136K133-S135 PolarHBondContact O-N 3.37Å; K133-S135 VanDerWaalsContact O-N 3.14Å; K133-E136 HydrophobicContact CB-CG 4.02Å; K133-E136 PolarHBondContact N-OE2 3.4Å; K133-E136 VanDerWaalsContact N-OE2 3.07Å; K133-E136 WeakPolarHBondContact O-CB 3.4Å; K133-E136 PolarHBondContact O-N 2.86Å
134K83.4Confident93.4Very high225 Ų22554.9 Ų54.998%0.97829%0.285SS*.THydrogen-bonded Turntrans-59.4-26.1177.1-69.1-174.5178-1790113.8E136K134-E136 VanDerWaalsContact C-N 3.3Å
135S88.8Confident93.5Very high108 Ų10854.5 Ų54.576%0.75528%0.282SS*.THydrogen-bonded Turntrans-79.1-12.6177.554.70000113.4K133K133-S135 PolarHBondContact O-N 3.37Å; K133-S135 VanDerWaalsContact O-N 3.14Å
136E90.6Very high93.6Very high33 Ų3354.5 Ų54.515%0.15428%0.282CS..  trans-85.5122.5-178-69.6170.6171.100110.2A131 N132 K133 K134 R141A131-E136 HydrophobicContact CB-CB 4.06Å; A131-E136 WeakPolarHBondContact CB-O 3.36Å; N132-E136 PolarHBondContact N-OE2 2.83Å; K133-E136 HydrophobicContact CB-CG 4.02Å; K133-E136 PolarHBondContact N-OE2 3.4Å; K133-E136 VanDerWaalsContact N-OE2 3.07Å; K133-E136 WeakPolarHBondContact O-CB 3.4Å; K133-E136 PolarHBondContact O-N 2.86Å; K134-E136 VanDerWaalsContact C-N 3.3Å; E136-R141 VanDerWaalsContact CD-NH1 3.34Å; E136-R141 IonicContact OE1-NH1 2.65Å; E136-R141 PolarHBondContact OE1-NH1 3Å
137N95.5Very high93.7Very high73 Ų7355.9 Ų55.939%0.3930%0.295SS..  trans-110.7111.2170.3-178.3-54.5000108.3A139 K140 R141N137-A139 VanDerWaalsContact C-N 3.29Å; N137-A139 PolarHBondContact O-N 3.46Å; N137-A139 WeakPolarHBondContact OD1-CB 3.48Å; N137-A139 PolarHBondContact OD1-N 3.5Å; N137-K140 HydrophobicContact CB-CB 4.11Å; N137-K140 HydrophobicContact CB-CD 4.1Å; N137-K140 HydrophobicContact CB-CG 4.06Å; N137-K140 PolarHBondContact O-N 2.9Å; N137-K140 VanDerWaalsContact O-N 3.1Å; N137-K140 PolarHBondContact OD1-N 2.93Å; N137-K140 VanDerWaalsContact OD1-N 3.12Å; N137-R141 PolarHBondContact O-N 3.01Å
138P95.5Very high93.9Very high28 Ų2856 Ų5618%0.18230%0.298CS..Hα-helixtrans-53.7-41.7-178.3-3238.7000113.9L128 C129 A131 K140 R141 L142 L173L128-P138 WeakPolarHBondContact O-CA 3.34Å; L128-P138 WeakPolarHBondContact O-CB 3.32Å; C129-P138 WeakPolarHBondContact O-CG 3.2Å; A131-P138 HydrophobicContact CB-CG 4.12Å; P138-K140 PolarHBondContact O-N 2.92Å; P138-R141 PolarHBondContact O-N 3.16Å; P138-L142 VanDerWaalsContact O-CB 3.32Å; P138-L142 WeakPolarHBondContact O-CB 3.48Å; P138-L142 WeakPolarHBondContact O-CG 3.39Å; P138-L142 PolarHBondContact O-N 3.35Å; P138-L173 HydrophobicContact CB-CD2 4.48Å
139A97Very high94Very high30 Ų3055.8 Ų55.825%0.24830%0.297CS..Hα-helixtrans-63.6-41.6178.800000112N137 Y143 L173N137-A139 VanDerWaalsContact C-N 3.29Å; N137-A139 PolarHBondContact O-N 3.46Å; N137-A139 WeakPolarHBondContact OD1-CB 3.48Å; N137-A139 PolarHBondContact OD1-N 3.5Å; A139-Y143 WeakPolarHBondContact O-CB 3.31Å; A139-Y143 PolarHBondContact O-N 3Å; A139-L173 HydrophobicContact CB-CD1 3.98Å
140K97.1Very high94.3Very high153 Ų15357.9 Ų57.967%0.66530%0.304SS*.Hα-helixtrans-67.2-42.2176.4-68.3-174179.2-179.10112.2N137 P138 Y143 C144N137-K140 HydrophobicContact CB-CB 4.11Å; N137-K140 HydrophobicContact CB-CD 4.1Å; N137-K140 HydrophobicContact CB-CG 4.06Å; N137-K140 PolarHBondContact O-N 2.9Å; N137-K140 VanDerWaalsContact O-N 3.1Å; N137-K140 PolarHBondContact OD1-N 2.93Å; N137-K140 VanDerWaalsContact OD1-N 3.12Å; P138-K140 PolarHBondContact O-N 2.92Å; K140-Y143 PolarHBondContact O-N 3.17Å; K140-C144 WeakPolarHBondContact O-CB 3.44Å; K140-C144 PolarHBondContact O-N 3.42Å
141R97.8Very high94.7Very high42 Ų4259 Ų5916%0.15832%0.315CS..Hα-helixtrans-64.5-46.2178.1-70.5179.463.8119.79.7111.5D104 E136 N137 P138 Y143 C144 F145D104-R141 IonicContact OD1-CZ 3.56Å; D104-R141 IonicContact OD1-NH2 2.71Å; D104-R141 PolarHBondContact OD1-NH2 3.31Å; D104-R141 IonicContact OD2-CZ 2.9Å; D104-R141 IonicContact OD2-NH1 2.95Å; D104-R141 IonicContact OD2-NH2 3.98Å; D104-R141 PolarHBondContact OD2-NH2 3.15Å; E136-R141 VanDerWaalsContact CD-NH1 3.34Å; E136-R141 IonicContact OE1-NH1 2.65Å; E136-R141 PolarHBondContact OE1-NH1 3Å; N137-R141 PolarHBondContact O-N 3.01Å; P138-R141 PolarHBondContact O-N 3.16Å; R141-Y143 PolarHBondContact O-N 2.81Å; R141-C144 PolarHBondContact O-N 3.1Å; R141-F145 WeakPolarHBondContact O-CB 3.36Å; R141-F145 PolarHBondContact O-N 2.67Å
142L98.4Very high95.2Very high0 Ų056.5 Ų56.50%029%0.293CS..Hα-helixtrans-60.2-44.2173.9-78.4167.6000111.6V125 L128 P138 C144 F145 F146 L173 I174 Q177V125-L142 HydrophobicContact CG1-CD2 4.24Å; L128-L142 HydrophobicContact CB-CD2 3.68Å; L128-L142 HydrophobicContact CB-CG 3.98Å; L128-L142 HydrophobicContact CD1-CD2 3.96Å; L128-L142 HydrophobicContact CG-CD2 4.49Å; P138-L142 VanDerWaalsContact O-CB 3.32Å; P138-L142 WeakPolarHBondContact O-CB 3.48Å; P138-L142 WeakPolarHBondContact O-CG 3.39Å; P138-L142 PolarHBondContact O-N 3.35Å; L142-C144 PolarHBondContact O-N 3.33Å; L142-F145 PolarHBondContact O-N 2.8Å; L142-F146 HydrophobicContact CD2-CE2 4.05Å; L142-F146 WeakPolarHBondContact O-CD2 3.32Å; L142-F146 PolarHBondContact O-N 3.17Å; L142-L173 HydrophobicContact CD1-CD2 3.89Å; L142-L173 HydrophobicContact CD1-CG 3.77Å; L142-I174 HydrophobicContact CD1-CG1 4.17Å; L142-I174 HydrophobicContact CD2-CG1 4.22Å; L142-Q177 HydrophobicContact CB-CB 3.94Å; L142-Q177 HydrophobicContact CB-CG 3.78Å
143Y98.5Very high95.8Very high95 Ų9553.9 Ų53.937%0.37328%0.279SS..Hα-helixtrans-61.4-44.9176.1-176.9-108.5000112.1A139 K140 R141 F146 A147 K180A139-Y143 WeakPolarHBondContact O-CB 3.31Å; A139-Y143 PolarHBondContact O-N 3Å; K140-Y143 PolarHBondContact O-N 3.17Å; R141-Y143 PolarHBondContact O-N 2.81Å; Y143-F146 PolarHBondContact O-N 3.34Å; Y143-A147 WeakPolarHBondContact O-CB 3.39Å; Y143-A147 PolarHBondContact O-N 3.46Å; Y143-K180 HydrophobicContact CD2-CB 4.36Å; Y143-K180 HydrophobicContact CD2-CD 3.97Å; Y143-K180 HydrophobicContact CD2-CG 4.15Å; Y143-K180 HydrophobicContact CE2-CB 4.27Å; Y143-K180 HydrophobicContact CE2-CD 3.96Å; Y143-K180 HydrophobicContact CE2-CG 3.79Å
144C98.4Very high96.3Very high48 Ų4850.8 Ų50.832%0.32427%0.27SS..Hα-helixtrans-61.3-45177.2-174.20000111.8Q107 K140 R141 L142 S148Q107-C144 VanDerWaalsContact C-SG 3.54Å; K140-C144 WeakPolarHBondContact O-CB 3.44Å; K140-C144 PolarHBondContact O-N 3.42Å; R141-C144 PolarHBondContact O-N 3.1Å; L142-C144 PolarHBondContact O-N 3.33Å; C144-S148 WeakPolarHBondContact O-CB 3.16Å; C144-S148 PolarHBondContact O-N 3.21Å; C144-S148 PolarHBondContact O-OG 3.41Å
145F98.6Very high96.7Very high0 Ų049.5 Ų49.50%026%0.259CS..Hα-helixtrans-56.4-55.7173.5168.4-112.8000111.6I60 M105 I109 V125 L128 R141 L142 A147 S148 L149 L161I60-F145 HydrophobicContact CG1-CE2 4.19Å; I60-F145 HydrophobicContact CG2-CE2 3.82Å; I60-F145 HydrophobicContact CG2-CZ 4.19Å; M105-F145 HydrophobicContact CB-CD2 3.9Å; M105-F145 HydrophobicContact CB-CE2 4.2Å; M105-F145 HydrophobicContact CG-CD2 4.34Å; M105-F145 WeakPolarHBondContact O-CB 3.49Å; M105-F145 HydrophobicContact SD-CD2 4.4Å; M105-F145 HydrophobicContact SD-CE2 4.24Å; I109-F145 HydrophobicContact CD1-CD2 4.15Å; I109-F145 HydrophobicContact CD1-CE2 3.95Å; I109-F145 HydrophobicContact CG1-CD2 4.44Å; V125-F145 HydrophobicContact CG1-CE1 4.27Å; V125-F145 HydrophobicContact CG2-CE1 4.07Å; V125-F145 HydrophobicContact CG2-CZ 4.13Å; L128-F145 HydrophobicContact CD1-CB 3.72Å; L128-F145 HydrophobicContact CD1-CD1 3.92Å; L128-F145 HydrophobicContact CD1-CD2 4.44Å; L128-F145 HydrophobicContact CD1-CG 3.75Å; R141-F145 WeakPolarHBondContact O-CB 3.36Å; R141-F145 PolarHBondContact O-N 2.67Å; L142-F145 PolarHBondContact O-N 2.8Å; F145-A147 PolarHBondContact O-N 3.24Å; F145-S148 PolarHBondContact O-N 3.34Å; F145-S148 PolarHBondContact O-OG 3.28Å; F145-L149 HydrophobicContact CE1-CD2 4.29Å; F145-L149 HydrophobicContact CE2-CD2 4.4Å; F145-L149 HydrophobicContact CZ-CD2 3.87Å; F145-L149 VanDerWaalsContact O-CB 3.26Å; F145-L149 WeakPolarHBondContact O-CB 3.41Å; F145-L149 PolarHBondContact O-N 2.87Å; F145-L161 HydrophobicContact CE1-CD1 4.27Å
146F98.7Very high96.8Very high0 Ų045.4 Ų45.40%023%0.234CC..Hα-helixtrans-67.9-38.4-177.4-74.4-61.2000113.1L142 Y143 L149 F150 L161 I174 Q177 A178 A181 F183 L202 L204L142-F146 HydrophobicContact CD2-CE2 4.05Å; L142-F146 WeakPolarHBondContact O-CD2 3.32Å; L142-F146 PolarHBondContact O-N 3.17Å; Y143-F146 PolarHBondContact O-N 3.34Å; F146-L149 PolarHBondContact O-N 3.41Å; F146-F150 VanDerWaalsContact O-CB 3.3Å; F146-F150 WeakPolarHBondContact O-CB 3.42Å; F146-F150 PolarHBondContact O-N 2.78Å; F146-L161 HydrophobicContact CE1-CD1 3.67Å; F146-L161 HydrophobicContact CZ-CD1 4.22Å; F146-I174 HydrophobicContact CE2-CG2 3.97Å; F146-I174 WeakPolarHBondContact CE2-O 3.4Å; F146-I174 HydrophobicContact CZ-CG2 3.74Å; F146-Q177 HydrophobicContact CD2-CB 3.9Å; F146-Q177 HydrophobicContact CE2-CB 4.34Å; F146-A178 HydrophobicContact CD1-CB 3.89Å; F146-A178 HydrophobicContact CD2-CB 4.03Å; F146-A178 HydrophobicContact CE1-CB 3.83Å; F146-A178 HydrophobicContact CE2-CB 3.96Å; F146-A178 HydrophobicContact CG-CB 4Å; F146-A178 HydrophobicContact CZ-CB 3.87Å; F146-A181 HydrophobicContact CB-CB 3.55Å; F146-F183 HydrophobicContact CB-CD2 4.45Å; F146-F183 HydrophobicContact CB-CE2 4.27Å; F146-F183 HydrophobicContact CD1-CD2 4.2Å; F146-F183 HydrophobicContact CD1-CE2 4.03Å; F146-F183 WeakPolarHBondContact O-CE2 3.31Å; F146-L202 HydrophobicContact CZ-CD2 4.18Å; F146-L204 HydrophobicContact CD1-CD1 4.02Å; F146-L204 HydrophobicContact CE1-CD1 3.58Å
147A98.4Very high97Very high34 Ų3444.6 Ų44.628%0.28123%0.231SC..Hα-helixtrans-63.8-43.317800000111.8Y143 F145 S151 A181Y143-A147 WeakPolarHBondContact O-CB 3.39Å; Y143-A147 PolarHBondContact O-N 3.46Å; F145-A147 PolarHBondContact O-N 3.24Å; A147-S151 PolarHBondContact O-N 3.41Å; A147-S151 VanDerWaalsContact O-N 3.16Å; A147-A181 HydrophobicContact CB-CB 4.43Å
148S98.5Very high97.1Very high23 Ų2344.6 Ų44.616%0.16123%0.226CC..Hα-helixtrans-70.3-39175.360.10000112.2G108 I109 C144 F145 F150 S151 V152G108-S148 VanDerWaalsContact CA-OG 3.28Å; G108-S148 WeakPolarHBondContact CA-OG 3.25Å; I109-S148 PolarHBondContact N-OG 2.59Å; C144-S148 WeakPolarHBondContact O-CB 3.16Å; C144-S148 PolarHBondContact O-N 3.21Å; C144-S148 PolarHBondContact O-OG 3.41Å; F145-S148 PolarHBondContact O-N 3.34Å; F145-S148 PolarHBondContact O-OG 3.28Å; S148-F150 PolarHBondContact O-N 3.18Å; S148-S151 WeakPolarHBondContact O-CB 3.38Å; S148-S151 PolarHBondContact O-N 3.16Å; S148-S151 VanDerWaalsContact O-N 3.15Å; S148-V152 WeakPolarHBondContact O-CG1 3.26Å; S148-V152 PolarHBondContact O-N 2.87Å
149L98.6Very high97.3Very high0 Ų043.2 Ų43.20%022%0.217CC..Hα-helixtrans-59.8-45.8174-17660.9000111.9L58 I109 C119 F145 F146 S151 V152 L153 A159 F183L58-L149 HydrophobicContact CD2-CD1 4.02Å; I109-L149 HydrophobicContact CD1-CB 3.65Å; I109-L149 HydrophobicContact CD1-CD1 3.68Å; I109-L149 HydrophobicContact CD1-CG 4.22Å; C119-L149 HydrophobicContact CB-CD1 3.88Å; F145-L149 HydrophobicContact CE1-CD2 4.29Å; F145-L149 HydrophobicContact CE2-CD2 4.4Å; F145-L149 HydrophobicContact CZ-CD2 3.87Å; F145-L149 VanDerWaalsContact O-CB 3.26Å; F145-L149 WeakPolarHBondContact O-CB 3.41Å; F145-L149 PolarHBondContact O-N 2.87Å; F146-L149 PolarHBondContact O-N 3.41Å; L149-S151 PolarHBondContact O-N 3.33Å; L149-V152 HydrophobicContact CD1-CG2 4.3Å; L149-V152 WeakPolarHBondContact O-CG2 3.45Å; L149-V152 PolarHBondContact O-N 2.77Å; L149-L153 HydrophobicContact CD1-CD1 4.22Å; L149-L153 HydrophobicContact CD1-CG 4.31Å; L149-L153 HydrophobicContact CG-CD1 4.07Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.3Å; L149-L153 PolarHBondContact O-N 2.75Å; L149-A159 HydrophobicContact CD2-CB 4.1Å; L149-F183 HydrophobicContact CB-CE2 4.44Å; L149-F183 HydrophobicContact CB-CZ 4.27Å; L149-F183 HydrophobicContact CD2-CZ 4.16Å; L149-F183 HydrophobicContact CG-CE2 4.49Å; L149-F183 HydrophobicContact CG-CZ 3.95Å
150F98.4Very high97.3Very high64 Ų6441.9 Ų41.928%0.28121%0.206SC..Hα-helixtrans-58.6-39.9176.2-171.9-89.3000111.2F146 S148 G182 F183F146-F150 VanDerWaalsContact O-CB 3.3Å; F146-F150 WeakPolarHBondContact O-CB 3.42Å; F146-F150 PolarHBondContact O-N 2.78Å; S148-F150 PolarHBondContact O-N 3.18Å; F150-G182 VanDerWaalsContact CE2-C 3.43Å; F150-G182 VanDerWaalsContact CE2-O 3.23Å; F150-G182 WeakPolarHBondContact CE2-O 3.32Å; F150-F183 VanDerWaalsContact CA-CZ 3.48Å; F150-F183 HydrophobicContact CB-CD2 4.33Å; F150-F183 HydrophobicContact CB-CE1 4.49Å; F150-F183 HydrophobicContact CB-CE2 3.65Å; F150-F183 HydrophobicContact CB-CZ 3.75Å; F150-F183 AromaticContact CD2-CD1 3.88Å; F150-F183 HydrophobicContact CD2-CD1 3.88Å; F150-F183 HydrophobicContact CD2-CD2 4.03Å; F150-F183 AromaticContact CD2-CE1 3.89Å; F150-F183 HydrophobicContact CD2-CE1 3.89Å; F150-F183 HydrophobicContact CD2-CE2 4.03Å; F150-F183 AromaticContact CD2-CG 3.97Å; F150-F183 HydrophobicContact CD2-CG 3.97Å; F150-F183 AromaticContact CD2-CZ 3.95Å; F150-F183 HydrophobicContact CD2-CZ 3.95Å; F150-F183 HydrophobicContact CE2-CD1 4.48Å; F150-F183 HydrophobicContact CG-CE2 4.36Å; F150-F183 HydrophobicContact CG-CZ 4.34Å
151S97.9Very high97.4Very high55 Ų5534.6 Ų34.639%0.38517%0.174SC..Hα-helixtrans-67-43.6179.7-175.60000112.9P113 G114 A147 S148 L149 L153P113-S151 CarbonylContact C-O 3.5Å; P113-S151 WeakPolarHBondContact CA-O 3.34Å; P113-S151 WeakPolarHBondContact CB-O 3.38Å; G114-S151 PolarHBondContact N-O 2.93Å; A147-S151 PolarHBondContact O-N 3.41Å; A147-S151 VanDerWaalsContact O-N 3.16Å; S148-S151 WeakPolarHBondContact O-CB 3.38Å; S148-S151 PolarHBondContact O-N 3.16Å; S148-S151 VanDerWaalsContact O-N 3.15Å; L149-S151 PolarHBondContact O-N 3.33Å; S151-L153 VanDerWaalsContact C-N 3.32Å; S151-L153 PolarHBondContact O-N 2.75Å
152V98.4Very high97.4Very high2 Ų232.6 Ų32.61%0.01217%0.167CC..Hα-helixtrans-78.7-14.3-174.8-58.20000113.7L58 I109 F111 G114 T115 F116 S148 L149L58-V152 HydrophobicContact CD2-CG2 4.17Å; I109-V152 HydrophobicContact CG2-CG2 4.36Å; F111-V152 HydrophobicContact CB-CB 4.37Å; F111-V152 HydrophobicContact CB-CG1 3.87Å; G114-V152 CarbonylContact C-O 3.52Å; T115-V152 PolarHBondContact N-O 2.86Å; F116-V152 HydrophobicContact CD2-CB 4.12Å; F116-V152 HydrophobicContact CD2-CG2 4.05Å; F116-V152 HydrophobicContact CE2-CB 4.44Å; F116-V152 HydrophobicContact CE2-CG2 4.48Å; F116-V152 PolarHBondContact N-O 2.68Å; S148-V152 WeakPolarHBondContact O-CG1 3.26Å; S148-V152 PolarHBondContact O-N 2.87Å; L149-V152 HydrophobicContact CD1-CG2 4.3Å; L149-V152 WeakPolarHBondContact O-CG2 3.45Å; L149-V152 PolarHBondContact O-N 2.77Å
153L98.1Very high97.3Very high6 Ų632.6 Ų32.63%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-79.7142.7175.6-71.4170.6000111.5F116 C119 L149 S151 A159 F183F116-L153 HydrophobicContact CB-CD2 4.21Å; C119-L153 HydrophobicContact CB-CD2 4Å; L149-L153 HydrophobicContact CD1-CD1 4.22Å; L149-L153 HydrophobicContact CD1-CG 4.31Å; L149-L153 HydrophobicContact CG-CD1 4.07Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.3Å; L149-L153 PolarHBondContact O-N 2.75Å; S151-L153 VanDerWaalsContact C-N 3.32Å; S151-L153 PolarHBondContact O-N 2.75Å; L153-A159 HydrophobicContact CD1-CB 4.06Å; L153-F183 HydrophobicContact CD1-CE1 3.75Å; L153-F183 HydrophobicContact CD1-CZ 3.89Å
154V95.6Very high97.1Very high47 Ų4731.3 Ų31.329%0.28516%0.161SC..EExtended strand (participates in β ladder)trans-62.6142.7168.1173.60000109G114 F116 G156 S157 S206G114-V154 WeakPolarHBondContact O-CG2 3.4Å; F116-V154 WeakPolarHBondContact O-CG2 3.3Å; F116-V154 PolarHBondContact O-N 3.06Å; V154-G156 PolarHBondContact O-N 3.08Å; V154-S157 WeakPolarHBondContact CB-OG 3.41Å; V154-S157 WeakPolarHBondContact O-CB 3.28Å; V154-S157 PolarHBondContact O-N 2.89Å; V154-S157 PolarHBondContact O-OG 3.18Å; V154-S206 PolarHBondContact O-OG 3.07Å
155R92.4Very high96.8Very high199 Ų19929.8 Ų29.875%0.75115%0.151SC*.EExtended strand (participates in β ladder)trans-59.5128.9-179.4-71.5-178.7176.5173.4-1.3111.3S157 T210R155-S157 VanDerWaalsContact C-N 3.29Å; R155-T210 HydrophobicContact CB-CG2 4.03Å
156G90.6Very high96.4Very high22 Ų2234.2 Ų34.223%0.22717%0.172CC..EExtended strand (participates in β ladder)trans85.3-2.2-177.200000114.2V154 S206V154-G156 PolarHBondContact O-N 3.08Å; G156-S206 PolarHBondContact N-O 3.43Å; G156-S206 PolarHBondContact N-OG 3.04Å
157S95Very high96.1Very high15 Ų1537.7 Ų37.711%0.10519%0.191CC..EExtended strand (participates in β ladder)trans-70.6163.9171.6-70.70000112.3D117 V154 R155 S206D117-S157 VanDerWaalsContact C-OG 3.32Å; D117-S157 WeakPolarHBondContact O-CB 3.36Å; D117-S157 PolarHBondContact O-OG 3.04Å; V154-S157 WeakPolarHBondContact CB-OG 3.41Å; V154-S157 WeakPolarHBondContact O-CB 3.28Å; V154-S157 PolarHBondContact O-N 2.89Å; V154-S157 PolarHBondContact O-OG 3.18Å; R155-S157 VanDerWaalsContact C-N 3.29Å; S157-S206 PolarHBondContact N-OG 3.1Å; S157-S206 PolarHBondContact O-N 3.31Å; S157-S206 PolarHBondContact O-OG 3.11Å
158R97.4Very high95.8Very high73 Ų7340.6 Ų40.628%0.27521%0.209SC..EExtended strand (participates in β ladder)trans-111.2150.6-179.2-52.4-166.2-169.1176.80.3111.8L47 Y48 G118 C119 L204 F205L47-R158 HydrophobicContact CD2-CB 3.77Å; L47-R158 WeakPolarHBondContact CD2-O 3.5Å; L47-R158 VanDerWaalsContact O-CD 3.25Å; L47-R158 WeakPolarHBondContact O-CD 3.31Å; Y48-R158 VanDerWaalsContact CB-CZ 3.44Å; G118-R158 VanDerWaalsContact CA-O 3.27Å; G118-R158 WeakPolarHBondContact CA-O 3.26Å; C119-R158 PolarHBondContact N-O 2.89Å; R158-L204 CarbonylContact C-O 3.31Å; R158-L204 WeakPolarHBondContact CA-O 3.4Å; R158-F205 HydrophobicContact CG-CD1 3.8Å; R158-F205 HydrophobicContact CG-CE1 4.11Å
159A98.6Very high95.5Very high0 Ų046 Ų460%023%0.232CC..EExtended strand (participates in β ladder)trans-121.7130.316400000109.2C119 L149 L153 L204C119-A159 HydrophobicContact CB-CB 3.97Å; C119-A159 CarbonylContact O-C 3.57Å; C119-A159 VanDerWaalsContact O-CA 3.27Å; C119-A159 WeakPolarHBondContact O-CA 3.29Å; L149-A159 HydrophobicContact CD2-CB 4.1Å; L153-A159 HydrophobicContact CD1-CB 4.06Å; A159-L204 HydrophobicContact CB-CB 4.31Å; A159-L204 PolarHBondContact N-O 3.02Å; A159-L204 PolarHBondContact O-N 3.23Å
160V98.8Very high95.3Very high1 Ų146.9 Ų46.91%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-120.4113.2178.3-178.90000109.6A43 L46 L47 C119 I120 S121 Y201 L202A43-V160 HydrophobicContact CB-CB 4.28Å; A43-V160 HydrophobicContact CB-CG1 3.81Å; L46-V160 HydrophobicContact CB-CG1 4.03Å; L46-V160 HydrophobicContact CB-CG2 3.82Å; L46-V160 HydrophobicContact CD1-CG1 4.14Å; L47-V160 HydrophobicContact CD2-CB 4.37Å; L47-V160 HydrophobicContact CD2-CG2 3.84Å; L47-V160 HydrophobicContact CG-CB 4.35Å; L47-V160 HydrophobicContact CG-CG2 3.93Å; C119-V160 PolarHBondContact O-N 2.93Å; I120-V160 WeakPolarHBondContact CA-O 3.21Å; S121-V160 PolarHBondContact N-O 3.28Å; S121-V160 VanDerWaalsContact N-O 3.08Å; V160-Y201 HydrophobicContact CG1-CD1 4.15Å; V160-L202 WeakPolarHBondContact CA-O 3.2Å
161L98.6Very high95.2Very high0 Ų045.5 Ų45.50%023%0.231CC..EExtended strand (participates in β ladder)trans-115.8107.4-172.3-46.1170.2000108.5S121 V125 F145 F146 Y201 L202 L204S121-L161 CarbonylContact O-C 3.53Å; S121-L161 WeakPolarHBondContact O-CA 3.48Å; V125-L161 HydrophobicContact CG2-CB 4.23Å; V125-L161 HydrophobicContact CG2-CD1 4.21Å; V125-L161 HydrophobicContact CG2-CD2 4.36Å; V125-L161 HydrophobicContact CG2-CG 4.49Å; F145-L161 HydrophobicContact CE1-CD1 4.27Å; F146-L161 HydrophobicContact CE1-CD1 3.67Å; F146-L161 HydrophobicContact CZ-CD1 4.22Å; L161-Y201 WeakPolarHBondContact O-CA 3.39Å; L161-L202 HydrophobicContact CB-CB 4.33Å; L161-L202 HydrophobicContact CD1-CD2 4.28Å; L161-L202 PolarHBondContact N-O 3.47Å; L161-L202 PolarHBondContact O-N 3.45Å; L161-L204 HydrophobicContact CD1-CD1 3.97Å
162Q98.3Very high95Very high0 Ų049 Ų490%024%0.241CC..EExtended strand (participates in β ladder)trans-80.3126.1170.8-170.3-76.1-52.100109.1M39 S121 I122 S123 F200 Y201M39-Q162 HydrophobicContact CB-CG 4.42Å; M39-Q162 HydrophobicContact CG-CG 4.45Å; M39-Q162 HydrophobicContact SD-CG 3.96Å; S121-Q162 PolarHBondContact O-N 3.37Å; I122-Q162 HydrophobicContact CD1-CB 3.94Å; S123-Q162 WeakPolarHBondContact CA-O 3.42Å; S123-Q162 PolarHBondContact N-O 2.96Å; S123-Q162 VanDerWaalsContact N-OE1 3.12Å; S123-Q162 PolarHBondContact OG-OE1 3.16Å; Q162-F200 WeakPolarHBondContact CA-O 2.89Å; Q162-Y201 HydrophobicContact CB-CD1 3.62Å; Q162-Y201 HydrophobicContact CB-CE1 3.6Å; Q162-Y201 HydrophobicContact CG-CD1 3.84Å; Q162-Y201 HydrophobicContact CG-CE1 3.48Å; Q162-Y201 VanDerWaalsContact CG-CE1 3.48Å
163L96.4Very high95Very high0 Ų051.4 Ų51.40%025%0.253CS..EExtended strand (participates in β ladder)trans-142.2167-17763.2116.5000113.3P165 L171 I174 F200 L202L163-P165 HydrophobicContact CD1-CB 4.19Å; L163-P165 HydrophobicContact CD1-CG 4.23Å; L163-L171 HydrophobicContact CD1-CD1 4.23Å; L163-I174 HydrophobicContact CD1-CD1 3.75Å; L163-F200 PolarHBondContact N-O 3.44Å; L163-F200 VanDerWaalsContact N-O 3.09Å; L163-L202 HydrophobicContact CD2-CB 3.89Å
164Y94.2Very high94.9Very high68 Ų6851.1 Ų51.127%0.26725%0.252SS..  trans-12082.3177.7-64-68.1000110.9R7 M39 S123 K199R7-Y164 PolarHBondContact NH1-O 3.21Å; M39-Y164 PolarHBondContact SD-OH 2.91Å; M39-Y164 VanDerWaalsContact SD-OH 3.39Å; S123-Y164 WeakPolarHBondContact OG-CE2 3.47Å; Y164-K199 HydrophobicContact CE1-CD 4.16Å; Y164-K199 PolarHBondContact OH-NZ 3.22Å
165P92.1Very high95Very high17 Ų1750.9 Ų50.911%0.1125%0.251CS..  trans-62.7145.3177.529.3-31.9000110.1R7 L163 L171 F200R7-P165 PolarHBondContact NH2-O 2.99Å; L163-P165 HydrophobicContact CD1-CB 4.19Å; L163-P165 HydrophobicContact CD1-CG 4.23Å; P165-L171 HydrophobicContact CB-CB 4.32Å; P165-L171 HydrophobicContact CB-CD1 4.23Å; P165-L171 HydrophobicContact CG-CD1 4.12Å; P165-F200 HydrophobicContact CG-CD1 4.39Å; P165-F200 HydrophobicContact CG-CD2 3.98Å; P165-F200 HydrophobicContact CG-CE2 4.11Å; P165-F200 HydrophobicContact CG-CG 4.12Å; P165-F200 HydrophobicContact CG-CZ 4.37Å
166E89.5Confident95.2Very high92 Ų9244.6 Ų44.643%0.4324%0.235SC..SBendtrans-80.5-42.9174.3-174.4165.4-175.500110.9H10 Q170H10-E166 IonicContact CE1-OE1 3.04Å; H10-E166 PolarHBondContact CE1-OE1 2.99Å; H10-E166 VanDerWaalsContact CE1-OE1 3.22Å; H10-E166 IonicContact CE1-OE2 3.74Å; H10-E166 IonicContact NE2-OE1 3.94Å; H10-E166 PolarHBondContact NE2-OE1 2.82Å; H10-E166 IonicContact NE2-OE2 3.48Å; H10-E166 PolarHBondContact NE2-OE2 2.76Å; E166-Q170 VanDerWaalsContact CB-OE1 3.25Å
167N91.9Very high95.6Very high74 Ų7444.6 Ų44.640%0.39623%0.229SC..SBendtrans-146.7176.2-179.458.731000110.9E169 Q170 L171N167-E169 VanDerWaalsContact C-N 3.31Å; N167-E169 PolarHBondContact O-N 3.4Å; N167-E169 PolarHBondContact OD1-N 3.31Å; N167-Q170 WeakPolarHBondContact OD1-CB 3.17Å; N167-Q170 PolarHBondContact OD1-N 2.99Å; N167-L171 PolarHBondContact O-N 3.5Å
168S91.7Very high95.7Very high94 Ų9443.9 Ų43.966%0.65722%0.224SC*.Hα-helixtrans-65-33.6177.647.60000112.8Q170 L171 E172S168-Q170 PolarHBondContact O-N 3.35Å; S168-L171 WeakPolarHBondContact O-CB 3.29Å; S168-L171 PolarHBondContact O-N 3.38Å; S168-E172 WeakPolarHBondContact O-CB 3.23Å; S168-E172 PolarHBondContact O-N 2.87Å
169E94Very high95.7Very high138 Ų13845 Ų4565%0.64524%0.239SC*.Hα-helixtrans-64-40.7179-61.7176.3-178.700111.7N167 L171 E172 L173N167-E169 VanDerWaalsContact C-N 3.31Å; N167-E169 PolarHBondContact O-N 3.4Å; N167-E169 PolarHBondContact OD1-N 3.31Å; E169-L171 VanDerWaalsContact C-N 3.32Å; E169-L171 PolarHBondContact O-N 2.95Å; E169-E172 PolarHBondContact O-N 3.1Å; E169-L173 WeakPolarHBondContact O-CB 3.44Å; E169-L173 PolarHBondContact O-N 2.93Å
170Q94.2Very high95.7Very high17 Ų1751.5 Ų51.58%0.07927%0.267CS..Hα-helixtrans-64.5-40.6175.2-170.4-176.75.200110.9Q126 C129 E166 N167 S168 L173 I174Q126-Q170 PolarHBondContact O-NE2 3.1Å; C129-Q170 HydrophobicContact CB-CG 3.68Å; C129-Q170 WeakPolarHBondContact SG-CG 3.36Å; C129-Q170 PolarHBondContact SG-NE2 3.45Å; E166-Q170 VanDerWaalsContact CB-OE1 3.25Å; N167-Q170 WeakPolarHBondContact OD1-CB 3.17Å; N167-Q170 PolarHBondContact OD1-N 2.99Å; S168-Q170 PolarHBondContact O-N 3.35Å; Q170-L173 PolarHBondContact O-N 3.12Å; Q170-I174 HydrophobicContact CG-CD1 4.25Å; Q170-I174 VanDerWaalsContact O-CG1 3.24Å; Q170-I174 WeakPolarHBondContact O-CG1 3.25Å; Q170-I174 PolarHBondContact O-N 3.02Å
171L94.6Very high95.6Very high36 Ų3652.2 Ų52.219%0.18827%0.273CS..Hα-helixtrans-62.9-46.5176.6-165.464.3000111L163 P165 N167 S168 E169 I174 T175 M187L163-L171 HydrophobicContact CD1-CD1 4.23Å; P165-L171 HydrophobicContact CB-CB 4.32Å; P165-L171 HydrophobicContact CB-CD1 4.23Å; P165-L171 HydrophobicContact CG-CD1 4.12Å; N167-L171 PolarHBondContact O-N 3.5Å; S168-L171 WeakPolarHBondContact O-CB 3.29Å; S168-L171 PolarHBondContact O-N 3.38Å; E169-L171 VanDerWaalsContact C-N 3.32Å; E169-L171 PolarHBondContact O-N 2.95Å; L171-I174 PolarHBondContact O-N 3.29Å; L171-T175 WeakPolarHBondContact O-CG2 3.47Å; L171-T175 PolarHBondContact O-N 3.43Å; L171-T175 PolarHBondContact O-OG1 2.9Å; L171-T175 VanDerWaalsContact O-OG1 3.11Å; L171-M187 HydrophobicContact CD1-CE 3.36Å; L171-M187 HydrophobicContact CD1-SD 4.26Å; L171-M187 HydrophobicContact CG-CE 4.2Å
172E95.5Very high95.5Very high129 Ų12954.1 Ų54.160%0.60329%0.293SS*.Hα-helixtrans-62.5-40.4176.6-175.6178.2-17800112S168 E169 T175 T176S168-E172 WeakPolarHBondContact O-CB 3.23Å; S168-E172 PolarHBondContact O-N 2.87Å; E169-E172 PolarHBondContact O-N 3.1Å; E172-T175 WeakPolarHBondContact CA-OG1 3.43Å; E172-T175 PolarHBondContact O-N 2.91Å; E172-T175 PolarHBondContact O-OG1 3.45Å; E172-T175 VanDerWaalsContact O-OG1 3.05Å; E172-T176 WeakPolarHBondContact O-CB 3.45Å; E172-T176 PolarHBondContact O-N 3.48Å; E172-T176 PolarHBondContact O-OG1 2.83Å
173L96.6Very high95.5Very high51 Ų5154.3 Ų54.327%0.26729%0.294SS..Hα-helixtrans-60.7-48.5175.8175.861.9000111P138 A139 L142 E169 Q170 T176 Q177P138-L173 HydrophobicContact CB-CD2 4.48Å; A139-L173 HydrophobicContact CB-CD1 3.98Å; L142-L173 HydrophobicContact CD1-CD2 3.89Å; L142-L173 HydrophobicContact CD1-CG 3.77Å; E169-L173 WeakPolarHBondContact O-CB 3.44Å; E169-L173 PolarHBondContact O-N 2.93Å; Q170-L173 PolarHBondContact O-N 3.12Å; L173-T176 PolarHBondContact O-N 3.31Å; L173-Q177 HydrophobicContact CD1-CG 4.24Å; L173-Q177 WeakPolarHBondContact O-CG 3.4Å; L173-Q177 PolarHBondContact O-N 2.87Å
174I97.6Very high95.5Very high0 Ų057.4 Ų57.40%032%0.315CS..Hα-helixtrans-61.4-49.9179.6-66.4168.2000110.2V125 L142 F146 L163 Q170 L171 T176 Q177 A178 L202V125-I174 HydrophobicContact CG1-CG2 4.49Å; L142-I174 HydrophobicContact CD1-CG1 4.17Å; L142-I174 HydrophobicContact CD2-CG1 4.22Å; F146-I174 HydrophobicContact CE2-CG2 3.97Å; F146-I174 WeakPolarHBondContact CE2-O 3.4Å; F146-I174 HydrophobicContact CZ-CG2 3.74Å; L163-I174 HydrophobicContact CD1-CD1 3.75Å; Q170-I174 HydrophobicContact CG-CD1 4.25Å; Q170-I174 VanDerWaalsContact O-CG1 3.24Å; Q170-I174 WeakPolarHBondContact O-CG1 3.25Å; Q170-I174 PolarHBondContact O-N 3.02Å; L171-I174 PolarHBondContact O-N 3.29Å; I174-T176 VanDerWaalsContact C-N 3.35Å; I174-T176 PolarHBondContact O-N 2.91Å; I174-Q177 PolarHBondContact O-N 3.27Å; I174-A178 PolarHBondContact O-N 3.35Å; I174-L202 HydrophobicContact CG2-CD2 3.62Å
175T96.6Very high95.5Very high43 Ų4356.7 Ų56.726%0.26433%0.328SS..Hα-helixtrans-64.7-40-179.154.30000111.5L171 E172 Q177 A178 T179 M187 L202L171-T175 WeakPolarHBondContact O-CG2 3.47Å; L171-T175 PolarHBondContact O-N 3.43Å; L171-T175 PolarHBondContact O-OG1 2.9Å; L171-T175 VanDerWaalsContact O-OG1 3.11Å; E172-T175 WeakPolarHBondContact CA-OG1 3.43Å; E172-T175 PolarHBondContact O-N 2.91Å; E172-T175 PolarHBondContact O-OG1 3.45Å; E172-T175 VanDerWaalsContact O-OG1 3.05Å; T175-Q177 PolarHBondContact O-N 2.88Å; T175-A178 PolarHBondContact O-N 3.1Å; T175-T179 WeakPolarHBondContact O-CB 3.23Å; T175-T179 PolarHBondContact O-N 3.27Å; T175-T179 PolarHBondContact O-OG1 3.49Å; T175-M187 HydrophobicContact CG2-CE 4.45Å; T175-L202 HydrophobicContact CG2-CD1 4Å
176T97.6Very high95.6Very high67 Ų6757.5 Ų57.541%0.41134%0.34SS..Hα-helixtrans-61.4-44.4177.1-62.50000111.8E172 L173 I174 T179 K180E172-T176 WeakPolarHBondContact O-CB 3.45Å; E172-T176 PolarHBondContact O-N 3.48Å; E172-T176 PolarHBondContact O-OG1 2.83Å; L173-T176 PolarHBondContact O-N 3.31Å; I174-T176 VanDerWaalsContact C-N 3.35Å; I174-T176 PolarHBondContact O-N 2.91Å; T176-T179 PolarHBondContact O-N 3.2Å; T176-K180 VanDerWaalsContact O-CB 3.26Å; T176-K180 WeakPolarHBondContact O-CB 3.31Å; T176-K180 PolarHBondContact O-N 3.07Å
177Q98.4Very high96Very high21 Ų2155.7 Ų55.710%0.09833%0.332CS..Hα-helixtrans-68.8-36.6177.7-62.7-46.2-41.600112.3L142 F146 L173 I174 T175 K180 A181L142-Q177 HydrophobicContact CB-CB 3.94Å; L142-Q177 HydrophobicContact CB-CG 3.78Å; F146-Q177 HydrophobicContact CD2-CB 3.9Å; F146-Q177 HydrophobicContact CE2-CB 4.34Å; L173-Q177 HydrophobicContact CD1-CG 4.24Å; L173-Q177 WeakPolarHBondContact O-CG 3.4Å; L173-Q177 PolarHBondContact O-N 2.87Å; I174-Q177 PolarHBondContact O-N 3.27Å; T175-Q177 PolarHBondContact O-N 2.88Å; Q177-K180 PolarHBondContact O-N 3.45Å; Q177-A181 WeakPolarHBondContact O-CB 3.49Å; Q177-A181 PolarHBondContact O-N 3.36Å
178A98Very high96.2Very high0 Ų054.2 Ų54.20%033%0.326CS..Hα-helixtrans-62-48.4174.100000111.5F146 I174 T175 K180 A181 G182 F183 L204F146-A178 HydrophobicContact CD1-CB 3.89Å; F146-A178 HydrophobicContact CD2-CB 4.03Å; F146-A178 HydrophobicContact CE1-CB 3.83Å; F146-A178 HydrophobicContact CE2-CB 3.96Å; F146-A178 HydrophobicContact CG-CB 4Å; F146-A178 HydrophobicContact CZ-CB 3.87Å; I174-A178 PolarHBondContact O-N 3.35Å; T175-A178 PolarHBondContact O-N 3.1Å; A178-K180 VanDerWaalsContact C-N 3.34Å; A178-K180 PolarHBondContact O-N 3.12Å; A178-A181 WeakPolarHBondContact O-CB 3.19Å; A178-A181 PolarHBondContact O-N 3.26Å; A178-A181 VanDerWaalsContact O-N 3.16Å; A178-G182 PolarHBondContact O-N 3.32Å; A178-F183 HydrophobicContact CB-CB 4.47Å; A178-F183 HydrophobicContact CB-CD2 4.48Å; A178-F183 WeakPolarHBondContact O-CB 3.3Å; A178-F183 PolarHBondContact O-N 2.96Å; A178-F183 VanDerWaalsContact O-N 3.15Å; A178-L204 HydrophobicContact CB-CD1 4.01Å; A178-L204 HydrophobicContact CB-CD2 3.95Å
179T97.1Very high96.5Very high96 Ų9652.1 Ų52.159%0.58931%0.308SS*.Hα-helixtrans-60.9-43.5176.6-57.20000111.4T175 T176 A181 G182 F183T175-T179 WeakPolarHBondContact O-CB 3.23Å; T175-T179 PolarHBondContact O-N 3.27Å; T175-T179 PolarHBondContact O-OG1 3.49Å; T176-T179 PolarHBondContact O-N 3.2Å; T179-A181 PolarHBondContact O-N 3.05Å; T179-G182 PolarHBondContact O-N 3.12Å; T179-F183 WeakPolarHBondContact CA-O 3.4Å
180K97.8Very high96.6Very high137 Ų13747 Ų4760%0.59629%0.285SS*.Hα-helixtrans-62.9-30.6177.4-169.4-178177.6-179.30112.9Y143 T176 Q177 A178 G182Y143-K180 HydrophobicContact CD2-CB 4.36Å; Y143-K180 HydrophobicContact CD2-CD 3.97Å; Y143-K180 HydrophobicContact CD2-CG 4.15Å; Y143-K180 HydrophobicContact CE2-CB 4.27Å; Y143-K180 HydrophobicContact CE2-CD 3.96Å; Y143-K180 HydrophobicContact CE2-CG 3.79Å; T176-K180 VanDerWaalsContact O-CB 3.26Å; T176-K180 WeakPolarHBondContact O-CB 3.31Å; T176-K180 PolarHBondContact O-N 3.07Å; Q177-K180 PolarHBondContact O-N 3.45Å; A178-K180 VanDerWaalsContact C-N 3.34Å; A178-K180 PolarHBondContact O-N 3.12Å; K180-G182 VanDerWaalsContact C-N 3.25Å
181A97.6Very high96.6Very high16 Ų1652.6 Ų52.613%0.13231%0.307CS..Hα-helixtrans-75.4-12.3174.800000113.6F146 A147 Q177 A178 T179 F183F146-A181 HydrophobicContact CB-CB 3.55Å; A147-A181 HydrophobicContact CB-CB 4.43Å; Q177-A181 WeakPolarHBondContact O-CB 3.49Å; Q177-A181 PolarHBondContact O-N 3.36Å; A178-A181 WeakPolarHBondContact O-CB 3.19Å; A178-A181 PolarHBondContact O-N 3.26Å; A178-A181 VanDerWaalsContact O-N 3.16Å; T179-A181 PolarHBondContact O-N 3.05Å; A181-F183 HydrophobicContact CB-CD2 4.39Å
182G96.4Very high96.6Very high40 Ų4054.2 Ų54.241%0.41232%0.319SS..THydrogen-bonded Turntrans110.8-0.3177.500000114.7F150 A178 T179 K180F150-G182 VanDerWaalsContact CE2-C 3.43Å; F150-G182 VanDerWaalsContact CE2-O 3.23Å; F150-G182 WeakPolarHBondContact CE2-O 3.32Å; A178-G182 PolarHBondContact O-N 3.32Å; T179-G182 PolarHBondContact O-N 3.12Å; K180-G182 VanDerWaalsContact C-N 3.25Å
183F97.8Very high96.4Very high5 Ų555.9 Ų55.92%0.02233%0.333CS..  trans-70.7141.3174.1-71.1-76.7000111.2F146 L149 F150 L153 A178 T179 A181 L204 F205F146-F183 HydrophobicContact CB-CD2 4.45Å; F146-F183 HydrophobicContact CB-CE2 4.27Å; F146-F183 HydrophobicContact CD1-CD2 4.2Å; F146-F183 HydrophobicContact CD1-CE2 4.03Å; F146-F183 WeakPolarHBondContact O-CE2 3.31Å; L149-F183 HydrophobicContact CB-CE2 4.44Å; L149-F183 HydrophobicContact CB-CZ 4.27Å; L149-F183 HydrophobicContact CD2-CZ 4.16Å; L149-F183 HydrophobicContact CG-CE2 4.49Å; L149-F183 HydrophobicContact CG-CZ 3.95Å; F150-F183 VanDerWaalsContact CA-CZ 3.48Å; F150-F183 HydrophobicContact CB-CD2 4.33Å; F150-F183 HydrophobicContact CB-CE1 4.49Å; F150-F183 HydrophobicContact CB-CE2 3.65Å; F150-F183 HydrophobicContact CB-CZ 3.75Å; F150-F183 AromaticContact CD2-CD1 3.88Å; F150-F183 HydrophobicContact CD2-CD1 3.88Å; F150-F183 HydrophobicContact CD2-CD2 4.03Å; F150-F183 AromaticContact CD2-CE1 3.89Å; F150-F183 HydrophobicContact CD2-CE1 3.89Å; F150-F183 HydrophobicContact CD2-CE2 4.03Å; F150-F183 AromaticContact CD2-CG 3.97Å; F150-F183 HydrophobicContact CD2-CG 3.97Å; F150-F183 AromaticContact CD2-CZ 3.95Å; F150-F183 HydrophobicContact CD2-CZ 3.95Å; F150-F183 HydrophobicContact CE2-CD1 4.48Å; F150-F183 HydrophobicContact CG-CE2 4.36Å; F150-F183 HydrophobicContact CG-CZ 4.34Å; L153-F183 HydrophobicContact CD1-CE1 3.75Å; L153-F183 HydrophobicContact CD1-CZ 3.89Å; A178-F183 HydrophobicContact CB-CB 4.47Å; A178-F183 HydrophobicContact CB-CD2 4.48Å; A178-F183 WeakPolarHBondContact O-CB 3.3Å; A178-F183 PolarHBondContact O-N 2.96Å; A178-F183 VanDerWaalsContact O-N 3.15Å; T179-F183 WeakPolarHBondContact CA-O 3.4Å; A181-F183 HydrophobicContact CB-CD2 4.39Å; F183-L204 HydrophobicContact CB-CB 4.09Å; F183-L204 HydrophobicContact CB-CD1 4.4Å; F183-L204 HydrophobicContact CB-CD2 4.03Å; F183-L204 HydrophobicContact CB-CG 4.4Å; F183-L204 HydrophobicContact CD1-CB 3.57Å; F183-L204 HydrophobicContact CD1-CD1 4.3Å; F183-L204 HydrophobicContact CD1-CG 4.46Å; F183-L204 HydrophobicContact CD2-CD1 4.11Å; F183-L204 HydrophobicContact CE1-CB 4.15Å; F183-L204 HydrophobicContact CE2-CD1 4.44Å; F183-L204 HydrophobicContact CG-CB 3.92Å; F183-L204 HydrophobicContact CG-CD1 4.03Å; F183-L204 HydrophobicContact CG-CG 4.38Å; F183-F205 WeakPolarHBondContact CA-O 3.41Å; F183-F205 WeakPolarHBondContact CD1-O 3.42Å
184S96.6Very high96.1Very high65 Ų6555.6 Ų55.646%0.45534%0.335SS..EExtended strand (participates in β ladder)trans-101.2172.3157.664.60000109.7L204 F205S184-L204 CarbonylContact O-C 3.52Å; S184-L204 WeakPolarHBondContact O-CA 3.39Å; S184-F205 PolarHBondContact N-O 3.43Å; S184-F205 VanDerWaalsContact N-O 3.17Å; S184-F205 PolarHBondContact O-N 3.02Å
185G94.7Very high95.4Very high52 Ų5260.7 Ų60.754%0.53638%0.377SS..EExtended strand (participates in β ladder)trans133.5-150.3171.500000113.6C203 F205G185-C203 WeakPolarHBondContact CA-O 3.24Å; G185-F205 VanDerWaalsContact CA-CD2 3.44Å; G185-F205 VanDerWaalsContact CA-CE2 3.49Å
186G94.4Very high94.8Very high34 Ų3467.3 Ų67.335%0.35140%0.402SS..EExtended strand (participates in β ladder)trans-170.8-178.5-171.600000114.9C203G186-C203 PolarHBondContact N-O 3.48Å; G186-C203 PolarHBondContact O-N 3.31Å
187M96.3Very high94.3Very high55 Ų5566.1 Ų66.127%0.27140%0.399SS..EExtended strand (participates in β ladder)trans-98.9127-179.1-170.764.548.700110.6L171 T175 V189 F200 Y201 L202L171-M187 HydrophobicContact CD1-CE 3.36Å; L171-M187 HydrophobicContact CD1-SD 4.26Å; L171-M187 HydrophobicContact CG-CE 4.2Å; T175-M187 HydrophobicContact CG2-CE 4.45Å; M187-V189 HydrophobicContact CG-CG2 3.84Å; M187-F200 HydrophobicContact CG-CD1 4.03Å; M187-F200 HydrophobicContact SD-CB 3.8Å; M187-F200 HydrophobicContact SD-CD1 3.97Å; M187-F200 HydrophobicContact SD-CG 4.41Å; M187-Y201 VanDerWaalsContact SD-C 3.55Å; M187-Y201 VanDerWaalsContact SD-O 3.38Å; M187-L202 HydrophobicContact CE-CB 3.77Å; M187-L202 HydrophobicContact CE-CD1 3.8Å; M187-L202 HydrophobicContact CE-CG 4.32Å; M187-L202 HydrophobicContact SD-CB 4.45Å
188V97.3Very high94Very high43 Ų4368.7 Ų68.726%0.26141%0.41SS..EExtended strand (participates in β ladder)trans-101.5126.5167.5178.90000108.1L46 Y201L46-V188 HydrophobicContact CD1-CB 4.49Å; L46-V188 HydrophobicContact CD1-CG1 4.44Å; L46-V188 HydrophobicContact CD2-CG1 4.47Å; L46-V188 HydrophobicContact CD2-CG2 4.37Å; V188-Y201 PolarHBondContact N-O 3.45Å; V188-Y201 PolarHBondContact O-N 3.3Å
189V96.8Very high93.9Very high49 Ų4970.4 Ų70.430%0.29742%0.417SS..EExtended strand (participates in β ladder)trans-117.2104.3179.8-172.80000109.4M187 P192 K198 K199 F200M187-V189 HydrophobicContact CG-CG2 3.84Å; V189-P192 HydrophobicContact CG1-CB 4.11Å; V189-K198 HydrophobicContact CG1-CD 4.09Å; V189-K198 HydrophobicContact CG1-CG 3.74Å; V189-K199 CarbonylContact C-O 3.52Å; V189-K199 WeakPolarHBondContact CA-O 3.34Å; V189-F200 HydrophobicContact CG1-CD1 4.35Å; V189-F200 HydrophobicContact CG1-CE1 4.19Å; V189-F200 HydrophobicContact CG1-CZ 4.47Å; V189-F200 HydrophobicContact CG2-CD1 3.62Å; V189-F200 HydrophobicContact CG2-CE1 3.75Å
190D96.1Very high93.9Very high30 Ų3068 Ų6816%0.1640%0.399CS..EExtended strand (participates in β ladder)trans-79.5141.5173.6-69.3-17.5000109.6R42 K198 K199 Y201R42-D190 WeakPolarHBondContact CG-OD2 3.25Å; R42-D190 IonicContact CZ-OD1 2.62Å; R42-D190 IonicContact CZ-OD2 3.03Å; R42-D190 IonicContact NE-OD1 3.59Å; R42-D190 IonicContact NE-OD2 3.52Å; R42-D190 PolarHBondContact NE-OD2 2.8Å; R42-D190 IonicContact NH2-OD1 2.75Å; R42-D190 PolarHBondContact NH2-OD1 2.64Å; R42-D190 VanDerWaalsContact NH2-OD1 3.14Å; R42-D190 IonicContact NH2-OD2 3.69Å; D190-K198 VanDerWaalsContact O-CA 3.32Å; D190-K198 WeakPolarHBondContact O-CA 3.44Å; D190-K199 HydrophobicContact CB-CB 4.45Å; D190-K199 PolarHBondContact N-O 2.9Å; D190-K199 PolarHBondContact O-N 3.33Å; D190-Y201 HydrophobicContact CB-CE2 4.37Å; D190-Y201 WeakPolarHBondContact OD2-CE2 3.36Å
191Y94.9Very high93.9Very high136 Ų13661.8 Ų61.853%0.53337%0.371SS..SBendtrans5253.6-178-48.8-74.7000114.3N193 S194 A197Y191-N193 PolarHBondContact O-N 3.34Å; Y191-N193 VanDerWaalsContact O-N 3.08Å; Y191-S194 PolarHBondContact O-N 2.89Å; Y191-A197 HydrophobicContact CD2-CB 4.34Å; Y191-A197 HydrophobicContact CG-CB 4.2Å
192P93.7Very high94Very high69 Ų6961.1 Ų61.145%0.44837%0.366SS..THydrogen-bonded Turntrans-61.6-25.7-171.325.9-35.6000113.7V189 K198V189-P192 HydrophobicContact CG1-CB 4.11Å; P192-K198 WeakPolarHBondContact O-CE 3.33Å; P192-K198 PolarHBondContact O-NZ 3.37Å
193N92.5Very high94Very high165 Ų16559.9 Ų59.988%0.88235%0.351SS*.THydrogen-bonded Turntrans-85.1-6.4-179.3-60.6-26.5000113.4Y191Y191-N193 PolarHBondContact O-N 3.34Å; Y191-N193 VanDerWaalsContact O-N 3.08Å
194S90.9Very high94Very high45 Ų4560 Ų6032%0.31535%0.351SS..  trans-109.9110.2-178.8-178.30000111.6Y191 K196 A197 K198Y191-S194 PolarHBondContact O-N 2.89Å; S194-K196 PolarHBondContact O-N 3.24Å; S194-K196 VanDerWaalsContact O-N 3.09Å; S194-A197 PolarHBondContact O-N 3.49Å; S194-A197 WeakPolarHBondContact OG-CB 3.48Å; S194-A197 PolarHBondContact OG-N 3Å; S194-A197 VanDerWaalsContact OG-N 3.11Å; S194-K198 WeakPolarHBondContact O-CB 3.46Å; S194-K198 PolarHBondContact O-N 3.48Å
195A82.6Confident94Very high107 Ų10760.2 Ų60.288%0.88434%0.344SS*.THydrogen-bonded Turntrans-59.3-25.117600000113.7
196K82.6Confident93.9Very high182 Ų18257.9 Ų57.979%0.79132%0.32SS*.THydrogen-bonded Turntrans-92.1-35.1-178.1-172.5178179.9-179.50113.5S194S194-K196 PolarHBondContact O-N 3.24Å; S194-K196 VanDerWaalsContact O-N 3.09Å
197A87.6Confident93.4Very high41 Ų4157.4 Ų57.434%0.33932%0.315SS..THydrogen-bonded Turntrans-98.2-12.6-176.600000113.4Y191 S194 K199Y191-A197 HydrophobicContact CD2-CB 4.34Å; Y191-A197 HydrophobicContact CG-CB 4.2Å; S194-A197 PolarHBondContact O-N 3.49Å; S194-A197 WeakPolarHBondContact OG-CB 3.48Å; S194-A197 PolarHBondContact OG-N 3Å; S194-A197 VanDerWaalsContact OG-N 3.11Å; A197-K199 PolarHBondContact O-N 2.98Å
198K92.6Very high92.4Very high75 Ų7560.2 Ų60.233%0.32634%0.337SS..  trans-53.5130.9-179.6-180177.5-57.3-166.50111.9V189 D190 P192 S194 F200V189-K198 HydrophobicContact CG1-CD 4.09Å; V189-K198 HydrophobicContact CG1-CG 3.74Å; D190-K198 VanDerWaalsContact O-CA 3.32Å; D190-K198 WeakPolarHBondContact O-CA 3.44Å; P192-K198 WeakPolarHBondContact O-CE 3.33Å; P192-K198 PolarHBondContact O-NZ 3.37Å; S194-K198 WeakPolarHBondContact O-CB 3.46Å; S194-K198 PolarHBondContact O-N 3.48Å; K198-F200 HydrophobicContact CD-CD2 4.45Å; K198-F200 HydrophobicContact CD-CE2 3.46Å; K198-F200 VanDerWaalsContact CD-CE2 3.46Å; K198-F200 HydrophobicContact CD-CZ 3.53Å; K198-F200 HydrophobicContact CG-CD2 4.25Å; K198-F200 HydrophobicContact CG-CE2 3.71Å; K198-F200 HydrophobicContact CG-CZ 4.15Å
199K95.3Very high91Very high37 Ų3762.3 Ų62.316%0.16135%0.354CS..EExtended strand (participates in β ladder)trans-130.1134.7175.2-60-59.7179.7-173.60109.7M39 Y164 V189 D190 A197 Y201M39-K199 HydrophobicContact SD-CD 3.7Å; M39-K199 HydrophobicContact SD-CG 4.44Å; Y164-K199 HydrophobicContact CE1-CD 4.16Å; Y164-K199 PolarHBondContact OH-NZ 3.22Å; V189-K199 CarbonylContact C-O 3.52Å; V189-K199 WeakPolarHBondContact CA-O 3.34Å; D190-K199 HydrophobicContact CB-CB 4.45Å; D190-K199 PolarHBondContact N-O 2.9Å; D190-K199 PolarHBondContact O-N 3.33Å; A197-K199 PolarHBondContact O-N 2.98Å; K199-Y201 HydrophobicContact CB-CD2 4.32Å; K199-Y201 HydrophobicContact CB-CE2 3.56Å
200F97.2Very high89.3Confident45 Ų4564.6 Ų64.620%0.19737%0.368CS..EExtended strand (participates in β ladder)trans-104.5129.3176.4-67.6-94.8000109.2Q162 L163 P165 M187 V189 K198Q162-F200 WeakPolarHBondContact CA-O 2.89Å; L163-F200 PolarHBondContact N-O 3.44Å; L163-F200 VanDerWaalsContact N-O 3.09Å; P165-F200 HydrophobicContact CG-CD1 4.39Å; P165-F200 HydrophobicContact CG-CD2 3.98Å; P165-F200 HydrophobicContact CG-CE2 4.11Å; P165-F200 HydrophobicContact CG-CG 4.12Å; P165-F200 HydrophobicContact CG-CZ 4.37Å; M187-F200 HydrophobicContact CG-CD1 4.03Å; M187-F200 HydrophobicContact SD-CB 3.8Å; M187-F200 HydrophobicContact SD-CD1 3.97Å; M187-F200 HydrophobicContact SD-CG 4.41Å; V189-F200 HydrophobicContact CG1-CD1 4.35Å; V189-F200 HydrophobicContact CG1-CE1 4.19Å; V189-F200 HydrophobicContact CG1-CZ 4.47Å; V189-F200 HydrophobicContact CG2-CD1 3.62Å; V189-F200 HydrophobicContact CG2-CE1 3.75Å; K198-F200 HydrophobicContact CD-CD2 4.45Å; K198-F200 HydrophobicContact CD-CE2 3.46Å; K198-F200 VanDerWaalsContact CD-CE2 3.46Å; K198-F200 HydrophobicContact CD-CZ 3.53Å; K198-F200 HydrophobicContact CG-CD2 4.25Å; K198-F200 HydrophobicContact CG-CE2 3.71Å; K198-F200 HydrophobicContact CG-CZ 4.15Å
201Y98.4Very high87.6Confident6 Ų670.9 Ų70.92%0.02439%0.394CS..EExtended strand (participates in β ladder)trans-124.1115.5174-60.7-93.1000108.6R42 A43 L46 V160 L161 Q162 M187 V188 D190 K199 C203R42-Y201 HydrophobicContact CB-CE1 4.25Å; R42-Y201 HydrophobicContact CG-CE1 4.02Å; R42-Y201 HydrophobicContact CG-CE2 3.86Å; A43-Y201 HydrophobicContact CB-CE1 4.49Å; L46-Y201 HydrophobicContact CD1-CD1 4.16Å; L46-Y201 HydrophobicContact CD1-CD2 4.33Å; L46-Y201 HydrophobicContact CD1-CG 3.87Å; V160-Y201 HydrophobicContact CG1-CD1 4.15Å; L161-Y201 WeakPolarHBondContact O-CA 3.39Å; Q162-Y201 HydrophobicContact CB-CD1 3.62Å; Q162-Y201 HydrophobicContact CB-CE1 3.6Å; Q162-Y201 HydrophobicContact CG-CD1 3.84Å; Q162-Y201 HydrophobicContact CG-CE1 3.48Å; Q162-Y201 VanDerWaalsContact CG-CE1 3.48Å; M187-Y201 VanDerWaalsContact SD-C 3.55Å; M187-Y201 VanDerWaalsContact SD-O 3.38Å; V188-Y201 PolarHBondContact N-O 3.45Å; V188-Y201 PolarHBondContact O-N 3.3Å; D190-Y201 HydrophobicContact CB-CE2 4.37Å; D190-Y201 WeakPolarHBondContact OD2-CE2 3.36Å; K199-Y201 HydrophobicContact CB-CD2 4.32Å; K199-Y201 HydrophobicContact CB-CE2 3.56Å; Y201-C203 PolarHBondContact O-N 2.84Å
202L98.3Very high86Confident2 Ų271.3 Ų71.31%0.0140%0.404CS..EExtended strand (participates in β ladder)trans-83.9111171.1177.861.1000108.3F146 V160 L161 L163 I174 T175 M187 L204F146-L202 HydrophobicContact CZ-CD2 4.18Å; V160-L202 WeakPolarHBondContact CA-O 3.2Å; L161-L202 HydrophobicContact CB-CB 4.33Å; L161-L202 HydrophobicContact CD1-CD2 4.28Å; L161-L202 PolarHBondContact N-O 3.47Å; L161-L202 PolarHBondContact O-N 3.45Å; L163-L202 HydrophobicContact CD2-CB 3.89Å; I174-L202 HydrophobicContact CG2-CD2 3.62Å; T175-L202 HydrophobicContact CG2-CD1 4Å; M187-L202 HydrophobicContact CE-CB 3.77Å; M187-L202 HydrophobicContact CE-CD1 3.8Å; M187-L202 HydrophobicContact CE-CG 4.32Å; M187-L202 HydrophobicContact SD-CB 4.45Å; L202-L204 HydrophobicContact CD1-CD2 3.69Å; L202-L204 HydrophobicContact CD1-CG 4.33Å; L202-L204 HydrophobicContact CD2-CD1 4.12Å; L202-L204 HydrophobicContact CD2-CD2 4.15Å; L202-L204 HydrophobicContact CD2-CG 4.28Å; L202-L204 HydrophobicContact CG-CD1 4.22Å; L202-L204 HydrophobicContact CG-CD2 3.75Å; L202-L204 HydrophobicContact CG-CG 3.85Å
203C98.1Very high84.7Confident15 Ų1572.9 Ų72.910%0.10141%0.414CS..EExtended strand (participates in β ladder)trans-101113.1179.4-61.60000109.2G185 G186 Y201G185-C203 WeakPolarHBondContact CA-O 3.24Å; G186-C203 PolarHBondContact N-O 3.48Å; G186-C203 PolarHBondContact O-N 3.31Å; Y201-C203 PolarHBondContact O-N 2.84Å
204L97.9Very high83.9Confident7 Ų773.5 Ų73.54%0.03741%0.412CS..EExtended strand (participates in β ladder)trans-115.1146.6-174.8-58.7176.5000111.2F146 R158 A159 L161 A178 F183 S184 L202F146-L204 HydrophobicContact CD1-CD1 4.02Å; F146-L204 HydrophobicContact CE1-CD1 3.58Å; R158-L204 CarbonylContact C-O 3.31Å; R158-L204 WeakPolarHBondContact CA-O 3.4Å; A159-L204 HydrophobicContact CB-CB 4.31Å; A159-L204 PolarHBondContact N-O 3.02Å; A159-L204 PolarHBondContact O-N 3.23Å; L161-L204 HydrophobicContact CD1-CD1 3.97Å; A178-L204 HydrophobicContact CB-CD1 4.01Å; A178-L204 HydrophobicContact CB-CD2 3.95Å; F183-L204 HydrophobicContact CB-CB 4.09Å; F183-L204 HydrophobicContact CB-CD1 4.4Å; F183-L204 HydrophobicContact CB-CD2 4.03Å; F183-L204 HydrophobicContact CB-CG 4.4Å; F183-L204 HydrophobicContact CD1-CB 3.57Å; F183-L204 HydrophobicContact CD1-CD1 4.3Å; F183-L204 HydrophobicContact CD1-CG 4.46Å; F183-L204 HydrophobicContact CD2-CD1 4.11Å; F183-L204 HydrophobicContact CE1-CB 4.15Å; F183-L204 HydrophobicContact CE2-CD1 4.44Å; F183-L204 HydrophobicContact CG-CB 3.92Å; F183-L204 HydrophobicContact CG-CD1 4.03Å; F183-L204 HydrophobicContact CG-CG 4.38Å; S184-L204 CarbonylContact O-C 3.52Å; S184-L204 WeakPolarHBondContact O-CA 3.39Å; L202-L204 HydrophobicContact CD1-CD2 3.69Å; L202-L204 HydrophobicContact CD1-CG 4.33Å; L202-L204 HydrophobicContact CD2-CD1 4.12Å; L202-L204 HydrophobicContact CD2-CD2 4.15Å; L202-L204 HydrophobicContact CD2-CG 4.28Å; L202-L204 HydrophobicContact CG-CD1 4.22Å; L202-L204 HydrophobicContact CG-CD2 3.75Å; L202-L204 HydrophobicContact CG-CG 3.85Å
205F95.8Very high82.8Confident69 Ų6974.7 Ų74.730%0.30343%0.431SS..EExtended strand (participates in β ladder)trans-119.8127.6177.6-48.9-81.3000110.4R158 F183 S184 G185 G207R158-F205 HydrophobicContact CG-CD1 3.8Å; R158-F205 HydrophobicContact CG-CE1 4.11Å; F183-F205 WeakPolarHBondContact CA-O 3.41Å; F183-F205 WeakPolarHBondContact CD1-O 3.42Å; S184-F205 PolarHBondContact N-O 3.43Å; S184-F205 VanDerWaalsContact N-O 3.17Å; S184-F205 PolarHBondContact O-N 3.02Å; G185-F205 VanDerWaalsContact CA-CD2 3.44Å; G185-F205 VanDerWaalsContact CA-CE2 3.49Å; F205-G207 VanDerWaalsContact C-N 3.28Å; F205-G207 PolarHBondContact O-N 3.1Å; F205-G207 VanDerWaalsContact O-N 3.08Å
206S93.3Very high82.3Confident3 Ų378.2 Ų78.22%0.02143%0.434CS..  trans-86.259.5-176.558.20000112.8V154 G156 S157V154-S206 PolarHBondContact O-OG 3.07Å; G156-S206 PolarHBondContact N-O 3.43Å; G156-S206 PolarHBondContact N-OG 3.04Å; S157-S206 PolarHBondContact N-OG 3.1Å; S157-S206 PolarHBondContact O-N 3.31Å; S157-S206 PolarHBondContact O-OG 3.11Å
207G83.8Confident81.6Confident24 Ų2474.1 Ų74.125%0.24743%0.428CS..SBendtrans84.7-177.4-176.100000113.7F205F205-G207 VanDerWaalsContact C-N 3.28Å; F205-G207 PolarHBondContact O-N 3.1Å; F205-G207 VanDerWaalsContact O-N 3.08Å
208P75.3Confident80.2Confident114 Ų11480 Ų8074%0.7445%0.449SS*.SBendtrans-64.6145.4-17726.3-32.8000111.2T210P208-T210 PolarHBondContact O-N 2.85Å
209S66.9Low78.2Confident88 Ų8883.6 Ų83.662%0.61547%0.472SS*.  trans-57.9130.8171.8-176.50000109.5F211S209-F211 WeakPolarHBondContact OG-CB 3.42Å; S209-F211 PolarHBondContact OG-N 2.66Å
210T61.6Low75.6Confident97 Ų9790 Ų9060%0.59550%0.502SS*.  trans-83-3.7172.351.60000112.1R155 P208 I212R155-T210 HydrophobicContact CB-CG2 4.03Å; P208-T210 PolarHBondContact O-N 2.85Å; T210-I212 PolarHBondContact O-N 2.85Å
211F60.6Low73.2Confident161 Ų16194.8 Ų94.871%0.70653%0.53SS*.  trans-72.8102.4178.5-151.5-89.5000109.6S209S209-F211 WeakPolarHBondContact OG-CB 3.42Å; S209-F211 PolarHBondContact OG-N 2.66Å
212I61.3Low70.6Confident145 Ų145103 Ų10374%0.74457%0.569SS**PPolyproline II helixtrans-80.9121.4167.3-58.7173.8000105.6T210 E214T210-I212 PolarHBondContact O-N 2.85Å; I212-E214 PolarHBondContact O-N 3.48Å
213P67.3Low67.9Low102 Ų102110 Ų11066%0.66261%0.606SS**PPolyproline II helixtrans-53.6138.7175-23.332.7000110.4G215P213-G215 PolarHBondContact O-N 2.76Å
214E73.6Confident65Low179 Ų179116.9 Ų116.984%0.83664%0.637SS**PPolyproline II helixtrans-58131.9170.7-76.9177.4169.300109I212 L216I212-E214 PolarHBondContact O-N 3.48Å; E214-L216 PolarHBondContact O-N 3.14Å
215G69.3Low62.3Low69 Ų69122 Ų12271%0.71167%0.671SS**PPolyproline II helixtrans-61132.6174.700000109.2P213 S217P213-G215 PolarHBondContact O-N 2.76Å; G215-S217 PolarHBondContact O-N 2.97Å
216L71.6Confident59.6Low181 Ų181129.7 Ų129.795%0.94870%0.697SS**  trans-63.2105.9174.1-65.3169.3000108.3E214E214-L216 PolarHBondContact O-N 3.14Å
217S67.7Low57Low96 Ų96137.4 Ų137.467%0.67173%0.733SS**  trans-86.4121.4164.853.70000108.3G215 N219G215-S217 PolarHBondContact O-N 2.97Å; S217-N219 PolarHBondContact O-N 3.3Å
218E57.9Low54.6Low166 Ų166141.6 Ų141.678%0.77676%0.759SS**  trans-62.5121160.4-70.6-176.5168.400107Q220E218-Q220 VanDerWaalsContact C-N 3.32Å; E218-Q220 PolarHBondContact O-N 3.16Å
219N50.6Low52.8Low149 Ų149140.8 Ų140.880%0.79775%0.751SS**  trans-61.998.3170.4-70.8-25.8000107.7S217S217-N219 PolarHBondContact O-N 3.3Å
220Q42.1Very low51.2Low171 Ų171145.9 Ų145.980%0.79976%0.763SS**  trans-99.4108.5154.9-73.3-176.22.800106.2E218E218-Q220 VanDerWaalsContact C-N 3.32Å; E218-Q220 PolarHBondContact O-N 3.16Å
221D46.9Very low50.2Low147 Ų147146.4 Ų146.479%0.78677%0.766SS**  trans-56.5150.4165.4-71.4-53000110.4
222E43.9Very low49.1Very low178 Ų178145.6 Ų145.683%0.83277%0.769SS**  trans100.9111.3162.1-55.7-174169.100119.3
223D40.1Very low47.9Very low148 Ų148146.7 Ų146.779%0.79177%0.771SS**  trans78.594.7142.6-62.8-22.6000122.5
224E36.8Very low46.6Very low161 Ų161152.3 Ų152.375%0.75278%0.779SS**  169.9143.197.3-95.7-155.6164.600111.4R226E224-R226 PolarHBondContact O-N 3.31Å; E224-R226 VanDerWaalsContact O-N 3.12Å
225P41.6Very low44.7Very low115 Ų115149.2 Ų149.275%0.74777%0.772SS**  trans-81.296.2176.533.3-29.4000109.9E227P225-E227 VanDerWaalsContact C-N 3.26Å; P225-E227 PolarHBondContact O-N 3.04Å; P225-E227 VanDerWaalsContact O-N 3.14Å
226R38.6Very low43.1Very low229 Ų229150.9 Ų150.986%0.86477%0.77SS**  trans-82.879.6159.4-78.1-174.7178.31662.1109.7E224 S228E224-R226 PolarHBondContact O-N 3.31Å; E224-R226 VanDerWaalsContact O-N 3.12Å; R226-S228 PolarHBondContact O-N 3.34Å
227E39.5Very low41.1Very low166 Ų166150.9 Ų150.978%0.77676%0.763SS**  trans-58.8114.3162.6-86.7-173.3163.700110P225 V229P225-E227 VanDerWaalsContact C-N 3.26Å; P225-E227 PolarHBondContact O-N 3.04Å; P225-E227 VanDerWaalsContact O-N 3.14Å; E227-V229 HydrophobicContact CB-CG2 4.11Å; E227-V229 HydrophobicContact CG-CG2 4.06Å
228S33.9Very low39.5Very low112 Ų112157 Ų15778%0.78377%0.771SS**  trans-115.190.5145.254.70000106.9R226 F230R226-S228 PolarHBondContact O-N 3.34Å; S228-F230 PolarHBondContact O-N 3.09Å
229V36.2Very low38.2Very low97 Ų97155 Ų15559%0.58876%0.763SS**  trans-70.695.1177.8178.30000108.2E227 T231E227-V229 HydrophobicContact CB-CG2 4.11Å; E227-V229 HydrophobicContact CG-CG2 4.06Å; V229-T231 HydrophobicContact CG1-CG2 3.74Å
230F33.8Very low37.5Very low194 Ų194152.3 Ų152.385%0.85176%0.756SS**  trans-90.796.8156.4-110.5-89.3000107.5S228 N232S228-F230 PolarHBondContact O-N 3.09Å; F230-N232 VanDerWaalsContact C-N 3.32Å; F230-N232 PolarHBondContact O-N 2.84Å
231T40Very low37.6Very low108 Ų108154.3 Ų154.366%0.66376%0.757SS**  trans-68.289.3170.739.70000109.9V229 E233V229-T231 HydrophobicContact CG1-CG2 3.74Å; T231-E233 VanDerWaalsContact C-N 3.28Å
232N39.1Very low37.6Very low144 Ų144157.9 Ų157.977%0.7776%0.759SS**  trans-93.168.7151.1-92.3-30.1000108.1F230 R234F230-N232 VanDerWaalsContact C-N 3.32Å; F230-N232 PolarHBondContact O-N 2.84Å; N232-R234 PolarHBondContact O-N 3.14Å
233E35.6Very low38.1Very low169 Ų169152.7 Ų152.779%0.7975%0.754SS**  trans-67.480.3158.8-83.8-164.714600108.4T231 V235T231-E233 VanDerWaalsContact C-N 3.28Å; E233-V235 VanDerWaalsContact C-N 3.35Å; E233-V235 PolarHBondContact O-N 2.82Å
234R38.9Very low38.6Very low220 Ų220149.4 Ų149.483%0.8374%0.735SS**  trans-84.493.9148.3-78.1-174.2177.5-179.70.3106N232 P236N232-R234 PolarHBondContact O-N 3.14Å; R234-P236 WeakPolarHBondContact O-CD 3.49Å
235V34.2Very low39.8Very low114 Ų114147.1 Ų147.169%0.69173%0.731SS**  trans-48.8110.7165.1-1690000106.7E233 F237E233-V235 VanDerWaalsContact C-N 3.35Å; E233-V235 PolarHBondContact O-N 2.82Å; V235-F237 PolarHBondContact O-N 2.9Å
236P35.8Very low40.6Very low103 Ų103149.2 Ų149.267%0.66972%0.724SS**  trans-69.6108.7168.3-2.619.6000103.8R234 R238R234-P236 WeakPolarHBondContact O-CD 3.49Å; P236-R238 PolarHBondContact O-N 2.95Å
237F29.3Very low42Very low182 Ų182146.3 Ų146.380%0.79872%0.718SS**  trans-64.383.4162.2-156.5-92.6000105.7V235 M239V235-F237 PolarHBondContact O-N 2.9Å; F237-M239 HydrophobicContact CD1-CG 3.86Å; F237-M239 HydrophobicContact CE1-CG 3.84Å; F237-M239 PolarHBondContact O-N 3.27Å
238R33.8Very low43.8Very low223 Ų223140 Ų14084%0.84269%0.692SS**  trans-62.889165-79.8-175.4175.9179.5-0.4104.6P236 S240P236-R238 PolarHBondContact O-N 2.95Å; R238-S240 PolarHBondContact O-N 3.04Å
239M31.8Very low46Very low124 Ų124141.4 Ų141.461%0.61168%0.68SS**  trans-60.290.1150.7-92.8-177.372.700105.5F237 R241F237-M239 HydrophobicContact CD1-CG 3.86Å; F237-M239 HydrophobicContact CE1-CG 3.84Å; F237-M239 PolarHBondContact O-N 3.27Å; M239-R241 HydrophobicContact CE-CG 4.29Å; M239-R241 PolarHBondContact O-N 3.34Å
240S36.4Very low48Very low93 Ų93139.2 Ų139.265%0.6567%0.672SS**  trans-58.177.8155.41500000106.7R238 R242R238-S240 PolarHBondContact O-N 3.04Å; S240-R242 PolarHBondContact O-N 3.04Å
241R43.1Very low50Low213 Ų213133.5 Ų133.580%0.80465%0.645SS**  trans-71.484.5146.8-77.5-170.9-178.3177.63.5104.5M239 G243M239-R241 HydrophobicContact CE-CG 4.29Å; M239-R241 PolarHBondContact O-N 3.34Å; R241-G243 PolarHBondContact O-N 3.48Å
242R47.8Very low52Low222 Ų222130 Ų13084%0.83862%0.623SS**  trans-46.6110.9163.6-95.4176.1170.6173.4-2.7105.9S240 M244S240-R242 PolarHBondContact O-N 3.04Å; R242-M244 PolarHBondContact O-N 2.86Å
243G53.3Low54.1Low70 Ų70125.7 Ų125.772%0.72260%0.6SS**PPolyproline II helixtrans-49.2117170.100000107.5R241 V245R241-G243 PolarHBondContact O-N 3.48Å; G243-V245 PolarHBondContact O-N 3.36Å
244M51.5Low56.3Low79 Ų79122 Ų12239%0.38958%0.583SS.*PPolyproline II helixtrans-67.2120.4-174.3-170.6176.6-71.200108.2R242 R246 A250 W251 E254R242-M244 PolarHBondContact O-N 2.86Å; M244-R246 PolarHBondContact O-N 2.8Å; M244-A250 HydrophobicContact CE-CB 4.1Å; M244-A250 HydrophobicContact CG-CB 4.33Å; M244-A250 HydrophobicContact SD-CB 3.74Å; M244-W251 HydrophobicContact CG-CB 4.07Å; M244-W251 WeakPolarHBondContact SD-CA 3.49Å; M244-W251 HydrophobicContact SD-CB 3.82Å; M244-W251 PolarHBondContact SD-N 2.99Å; M244-E254 WeakPolarHBondContact CE-OE2 3.31Å
245V61.6Low58.2Low113 Ų113114.7 Ų114.769%0.68556%0.557SS**PPolyproline II helixtrans-55.2119.3-176.9179.60000109.7G243 K247 S248G243-V245 PolarHBondContact O-N 3.36Å; V245-K247 PolarHBondContact O-N 3.04Å; V245-S248 WeakPolarHBondContact O-CB 3.39Å; V245-S248 PolarHBondContact O-N 3.47Å; V245-S248 PolarHBondContact O-OG 3.45Å
246R59.1Low60.7Low158 Ų158110.9 Ų110.960%0.59653%0.531SS*.THydrogen-bonded Turntrans-56.3135.5-177.8-156.4171.1-178.8174.22.2109.8D73 M244 S248D73-R246 IonicContact OD1-NH1 2.77Å; M244-R246 PolarHBondContact O-N 2.8Å; R246-S248 VanDerWaalsContact C-N 3.26Å; R246-S248 PolarHBondContact O-N 3.47Å
247K66.4Low63Low169 Ų169109.6 Ų109.674%0.73552%0.516SS*.THydrogen-bonded Turntrans68.710.4-174.5-49.6175.4179.7172.30115.7V245V245-K247 PolarHBondContact O-N 3.04Å
248S77.5Confident65.1Low33 Ų33106.3 Ų106.323%0.23150%0.499CS..SBendtrans-68.1159.5165.966.70000111.1V245 R246 A250 W251 V252V245-S248 WeakPolarHBondContact O-CB 3.39Å; V245-S248 PolarHBondContact O-N 3.47Å; V245-S248 PolarHBondContact O-OG 3.45Å; R246-S248 VanDerWaalsContact C-N 3.26Å; R246-S248 PolarHBondContact O-N 3.47Å; S248-A250 VanDerWaalsContact C-N 3.26Å; S248-A250 PolarHBondContact O-N 3.05Å; S248-W251 WeakPolarHBondContact O-CB 3.45Å; S248-W251 PolarHBondContact O-N 2.99Å; S248-W251 WeakPolarHBondContact OG-CB 3.39Å; S248-W251 PolarHBondContact OG-N 3.49Å; S248-V252 WeakPolarHBondContact O-CG2 3.34Å; S248-V252 PolarHBondContact O-N 3.31Å; S248-V252 VanDerWaalsContact O-N 3.1Å
249R79.8Confident67.3Low142 Ų14297.5 Ų97.554%0.53647%0.467SS..Hα-helixtrans-59-39.2174.2175.7173.9174.2-176.6-1111.9W251 V252 L253 T273R249-W251 VanDerWaalsContact C-N 3.32Å; R249-W251 PolarHBondContact O-N 2.83Å; R249-V252 PolarHBondContact O-N 3.11Å; R249-L253 HydrophobicContact CG-CD1 4.01Å; R249-L253 HydrophobicContact CG-CG 4.47Å; R249-L253 WeakPolarHBondContact O-CG 3.25Å; R249-L253 PolarHBondContact O-N 3.19Å; R249-T273 WeakPolarHBondContact CG-O 3.32Å
250A78.6Confident69.8Low51 Ų5195.8 Ų95.842%0.42145%0.454SS..Hα-helixtrans-59.4-44.7175.800000111M244 S248 V252 L253 E254M244-A250 HydrophobicContact CE-CB 4.1Å; M244-A250 HydrophobicContact CG-CB 4.33Å; M244-A250 HydrophobicContact SD-CB 3.74Å; S248-A250 VanDerWaalsContact C-N 3.26Å; S248-A250 PolarHBondContact O-N 3.05Å; A250-V252 VanDerWaalsContact C-N 3.34Å; A250-V252 PolarHBondContact O-N 2.65Å; A250-L253 PolarHBondContact O-N 3.13Å; A250-E254 PolarHBondContact O-N 3.25Å
251W76.7Confident71.7Confident74 Ų74101 Ų10128%0.2846%0.459SS..Hα-helixtrans-61.6-40.8177.9-178.887.9000112.1M244 S248 R249 K255M244-W251 HydrophobicContact CG-CB 4.07Å; M244-W251 WeakPolarHBondContact SD-CA 3.49Å; M244-W251 HydrophobicContact SD-CB 3.82Å; M244-W251 PolarHBondContact SD-N 2.99Å; S248-W251 WeakPolarHBondContact O-CB 3.45Å; S248-W251 PolarHBondContact O-N 2.99Å; S248-W251 WeakPolarHBondContact OG-CB 3.39Å; S248-W251 PolarHBondContact OG-N 3.49Å; R249-W251 VanDerWaalsContact C-N 3.32Å; R249-W251 PolarHBondContact O-N 2.83Å; W251-K255 HydrophobicContact CH2-CD 3.74Å; W251-K255 HydrophobicContact CZ2-CD 4.2Å; W251-K255 HydrophobicContact CZ3-CD 4Å; W251-K255 WeakPolarHBondContact O-CB 3.49Å; W251-K255 PolarHBondContact O-N 3.32Å
252V81.8Confident72.9Confident33 Ų3395 Ų9520%0.244%0.44CS..Hα-helixtrans-67.6-37.4177.1178.90000112.3S248 R249 A250 K256 T273S248-V252 WeakPolarHBondContact O-CG2 3.34Å; S248-V252 PolarHBondContact O-N 3.31Å; S248-V252 VanDerWaalsContact O-N 3.1Å; R249-V252 PolarHBondContact O-N 3.11Å; A250-V252 VanDerWaalsContact C-N 3.34Å; A250-V252 PolarHBondContact O-N 2.65Å; V252-K256 WeakPolarHBondContact O-CG 3.4Å; V252-K256 PolarHBondContact O-N 2.84Å; V252-T273 HydrophobicContact CB-CG2 4.37Å; V252-T273 HydrophobicContact CG1-CG2 3.54Å
253L83.6Confident74.2Confident54 Ų5487.9 Ų87.928%0.28344%0.436SS..Hα-helixtrans-72.3-43.7179.6-71.6170.2000111.8R249 A250 K255 K256 E257 D269 T273R249-L253 HydrophobicContact CG-CD1 4.01Å; R249-L253 HydrophobicContact CG-CG 4.47Å; R249-L253 WeakPolarHBondContact O-CG 3.25Å; R249-L253 PolarHBondContact O-N 3.19Å; A250-L253 PolarHBondContact O-N 3.13Å; L253-K255 VanDerWaalsContact C-N 3.3Å; L253-K255 PolarHBondContact O-N 3.26Å; L253-K256 PolarHBondContact O-N 2.87Å; L253-E257 WeakPolarHBondContact O-CB 3.47Å; L253-E257 PolarHBondContact O-N 3.45Å; L253-D269 HydrophobicContact CD2-CB 4.13Å; L253-T273 HydrophobicContact CD2-CG2 3.97Å; L253-T273 HydrophobicContact CG-CG2 4.46Å
254E81.4Confident75.4Confident93 Ų9389 Ų8944%0.43542%0.418SS..Hα-helixtrans-62.5-40.7175.7-171179.5167.900111.3M244 A250 E257 R258M244-E254 WeakPolarHBondContact CE-OE2 3.31Å; A250-E254 PolarHBondContact O-N 3.25Å; E254-E257 PolarHBondContact O-N 2.92Å; E254-R258 WeakPolarHBondContact O-CB 3.38Å; E254-R258 PolarHBondContact O-N 2.92Å; E254-R258 IonicContact OE1-NH2 3.83Å
255K78.6Confident76.9Confident66 Ų6695 Ų9529%0.28745%0.445SS..Hα-helixtrans-56.5-52.1172.1-178.8170.2-179.7121.40111.4E95 W251 L253 E257 R258 H259E95-K255 WeakPolarHBondContact OE1-CD 3.49Å; E95-K255 WeakPolarHBondContact OE1-CE 3.39Å; E95-K255 VanDerWaalsContact OE1-CG 3.26Å; E95-K255 WeakPolarHBondContact OE1-CG 3.4Å; E95-K255 IonicContact OE1-NZ 3.87Å; E95-K255 PolarHBondContact OE1-NZ 3.01Å; E95-K255 VanDerWaalsContact OE2-CD 3.25Å; E95-K255 WeakPolarHBondContact OE2-CD 3.5Å; E95-K255 WeakPolarHBondContact OE2-CE 3.19Å; E95-K255 IonicContact OE2-NZ 3.61Å; E95-K255 PolarHBondContact OE2-NZ 2.95Å; W251-K255 HydrophobicContact CH2-CD 3.74Å; W251-K255 HydrophobicContact CZ2-CD 4.2Å; W251-K255 HydrophobicContact CZ3-CD 4Å; W251-K255 WeakPolarHBondContact O-CB 3.49Å; W251-K255 PolarHBondContact O-N 3.32Å; L253-K255 VanDerWaalsContact C-N 3.3Å; L253-K255 PolarHBondContact O-N 3.26Å; K255-E257 VanDerWaalsContact C-N 3.34Å; K255-E257 PolarHBondContact O-N 3.13Å; K255-R258 PolarHBondContact O-N 3.11Å; K255-H259 PolarHBondContact O-CD2 2.82Å; K255-H259 PolarHBondContact O-N 2.79Å
256K87.6Confident78.1Confident33 Ų3391.5 Ų91.514%0.14342%0.424CS..Hα-helixtrans-59.3-43.1178.1-79.6-173.7171.4-163.50113.1V252 L253 R258 H259 R260 V266 R267 P268 D269 T273V252-K256 WeakPolarHBondContact O-CG 3.4Å; V252-K256 PolarHBondContact O-N 2.84Å; L253-K256 PolarHBondContact O-N 2.87Å; K256-R258 VanDerWaalsContact C-N 3.33Å; K256-R258 PolarHBondContact O-N 3.2Å; K256-H259 PolarHBondContact O-N 3.02Å; K256-R260 WeakPolarHBondContact O-CG 3.38Å; K256-R260 PolarHBondContact O-N 2.86Å; K256-V266 HydrophobicContact CB-CG1 3.72Å; K256-V266 HydrophobicContact CD-CG1 4.04Å; K256-V266 HydrophobicContact CG-CG1 3.62Å; K256-R267 WeakPolarHBondContact CE-O 3.45Å; K256-R267 PolarHBondContact NZ-O 2.9Å; K256-P268 PolarHBondContact NZ-O 3.4Å; K256-D269 WeakPolarHBondContact CD-OD1 3.46Å; K256-D269 WeakPolarHBondContact CE-OD1 3.41Å; K256-D269 IonicContact NZ-OD1 3.14Å; K256-D269 PolarHBondContact NZ-OD1 3.01Å; K256-T273 HydrophobicContact CD-CG2 4.36Å
257E83.6Confident79.3Confident77 Ų7794 Ų9436%0.3643%0.433SS..Hα-helixtrans-64.2-39.4179.5-174.656.3-154.700111.8L253 E254 K255 R260 R261L253-E257 WeakPolarHBondContact O-CB 3.47Å; L253-E257 PolarHBondContact O-N 3.45Å; E254-E257 PolarHBondContact O-N 2.92Å; K255-E257 VanDerWaalsContact C-N 3.34Å; K255-E257 PolarHBondContact O-N 3.13Å; E257-R260 WeakPolarHBondContact O-CB 3.35Å; E257-R260 PolarHBondContact O-N 3.39Å; E257-R260 IonicContact OE2-CZ 2.76Å; E257-R260 IonicContact OE2-NH1 3.94Å; E257-R260 PolarHBondContact OE2-NH1 3.15Å; E257-R261 WeakPolarHBondContact O-CG 3.32Å; E257-R261 PolarHBondContact O-N 3.5Å; E257-R261 VanDerWaalsContact O-N 3.11Å; E257-R261 IonicContact OE1-NE 3.89Å
258R74.1Confident80.2Confident112 Ų11290.8 Ų90.842%0.42343%0.43SS..Hα-helixtrans-63.2-44.7173.9-168.1-178.5-63.9-170.60.6112.1E254 K255 K256 R260 R261 Q262E254-R258 WeakPolarHBondContact O-CB 3.38Å; E254-R258 PolarHBondContact O-N 2.92Å; E254-R258 IonicContact OE1-NH2 3.83Å; K255-R258 PolarHBondContact O-N 3.11Å; K256-R258 VanDerWaalsContact C-N 3.33Å; K256-R258 PolarHBondContact O-N 3.2Å; R258-R260 VanDerWaalsContact C-N 3.3Å; R258-R260 PolarHBondContact O-N 3.14Å; R258-R261 WeakPolarHBondContact O-CB 3.4Å; R258-R261 PolarHBondContact O-N 3.41Å; R258-R261 VanDerWaalsContact O-N 3.16Å; R258-Q262 WeakPolarHBondContact O-CG 3.35Å; R258-Q262 PolarHBondContact O-N 2.71Å; R258-Q262 VanDerWaalsContact O-N 3.09Å
259H78.9Confident80.7Confident38 Ų3892.7 Ų92.718%0.17644%0.437CS..Hα-helixtrans-62.9-35177-82.1-105.6000112.3E95 K255 K256 Q262 G263 R264 V266E95-H259 IonicContact OE1-CD2 3.27Å; E95-H259 IonicContact OE1-CE1 2.86Å; E95-H259 IonicContact OE1-NE2 2.75Å; E95-H259 PolarHBondContact OE1-NE2 3Å; K255-H259 PolarHBondContact O-CD2 2.82Å; K255-H259 PolarHBondContact O-N 2.79Å; K256-H259 PolarHBondContact O-N 3.02Å; H259-Q262 PolarHBondContact O-N 3.37Å; H259-G263 PolarHBondContact O-N 2.88Å; H259-R264 HydrophobicContact CB-CB 4.31Å; H259-R264 VanDerWaalsContact ND1-CD 3.33Å; H259-R264 WeakPolarHBondContact ND1-CD 3.36Å; H259-R264 WeakPolarHBondContact O-CB 3.15Å; H259-R264 PolarHBondContact O-N 3Å; H259-V266 HydrophobicContact CB-CG2 3.35Å
260R85.1Confident80.9Confident88 Ų8889.4 Ų89.433%0.33243%0.433SS..Hα-helixtrans-62.6-45172-69.4173.4-168.6142.32.8111.9K256 E257 R258 Q262 G263 V266 D269K256-R260 WeakPolarHBondContact O-CG 3.38Å; K256-R260 PolarHBondContact O-N 2.86Å; E257-R260 WeakPolarHBondContact O-CB 3.35Å; E257-R260 PolarHBondContact O-N 3.39Å; E257-R260 IonicContact OE2-CZ 2.76Å; E257-R260 IonicContact OE2-NH1 3.94Å; E257-R260 PolarHBondContact OE2-NH1 3.15Å; R258-R260 VanDerWaalsContact C-N 3.3Å; R258-R260 PolarHBondContact O-N 3.14Å; R260-Q262 PolarHBondContact O-N 3.38Å; R260-G263 PolarHBondContact O-N 2.94Å; R260-V266 HydrophobicContact CG-CB 3.98Å; R260-V266 HydrophobicContact CG-CG1 4.45Å; R260-V266 HydrophobicContact CG-CG2 4.02Å; R260-D269 IonicContact CZ-OD2 3.79Å; R260-D269 IonicContact NH1-OD2 3.97Å; R260-D269 PolarHBondContact NH1-OD2 3.04Å; R260-D269 IonicContact NH2-OD1 2.88Å; R260-D269 PolarHBondContact NH2-OD1 3.37Å; R260-D269 IonicContact NH2-OD2 3.91Å; R260-D269 PolarHBondContact NH2-OD2 3.21Å
261R76.2Confident81Confident204 Ų20493.6 Ų93.677%0.7744%0.444SS*.Hα-helixtrans-61.8-28.7176.8-68.7177.3-172.8-174.6-0.1112.9E257 R258 G263E257-R261 WeakPolarHBondContact O-CG 3.32Å; E257-R261 PolarHBondContact O-N 3.5Å; E257-R261 VanDerWaalsContact O-N 3.11Å; E257-R261 IonicContact OE1-NE 3.89Å; R258-R261 WeakPolarHBondContact O-CB 3.4Å; R258-R261 PolarHBondContact O-N 3.41Å; R258-R261 VanDerWaalsContact O-N 3.16Å; R261-G263 VanDerWaalsContact C-N 3.26Å; R261-G263 PolarHBondContact O-N 2.82Å
262Q67.1Low81Confident86 Ų8696.8 Ų96.840%0.40246%0.457SS..THydrogen-bonded Turntrans-84.67175.7-66.6171.3-10.500113.2R258 H259 R260 R264R258-Q262 WeakPolarHBondContact O-CG 3.35Å; R258-Q262 PolarHBondContact O-N 2.71Å; R258-Q262 VanDerWaalsContact O-N 3.09Å; H259-Q262 PolarHBondContact O-N 3.37Å; R260-Q262 PolarHBondContact O-N 3.38Å; Q262-R264 VanDerWaalsContact C-N 3.29Å; Q262-R264 HydrophobicContact CB-CG 4.43Å; Q262-R264 PolarHBondContact O-N 3.16Å
263G74.9Confident80.9Confident72 Ų7295.8 Ų95.874%0.74245%0.451SS*.THydrogen-bonded Turntrans73.915.3177.200000114.8H259 R260 R261H259-G263 PolarHBondContact O-N 2.88Å; R260-G263 PolarHBondContact O-N 2.94Å; R261-G263 VanDerWaalsContact C-N 3.26Å; R261-G263 PolarHBondContact O-N 2.82Å
264R78.8Confident80.6Confident95 Ų9594.8 Ų94.836%0.35845%0.454SS..  trans-83.4152-179.6-63.3-179.1165-179.2-10.6111.4D93 H259 Q262 V266D93-R264 IonicContact OD1-CZ 3.3Å; D93-R264 IonicContact OD1-NH1 3.67Å; D93-R264 PolarHBondContact OD1-NH1 2.88Å; D93-R264 IonicContact OD1-NH2 3.84Å; D93-R264 PolarHBondContact OD1-NH2 3.22Å; D93-R264 IonicContact OD2-CZ 3.49Å; D93-R264 IonicContact OD2-NH1 2.82Å; D93-R264 IonicContact OD2-NH2 3.1Å; D93-R264 PolarHBondContact OD2-NH2 2.95Å; H259-R264 HydrophobicContact CB-CB 4.31Å; H259-R264 VanDerWaalsContact ND1-CD 3.33Å; H259-R264 WeakPolarHBondContact ND1-CD 3.36Å; H259-R264 WeakPolarHBondContact O-CB 3.15Å; H259-R264 PolarHBondContact O-N 3Å; Q262-R264 VanDerWaalsContact C-N 3.29Å; Q262-R264 HydrophobicContact CB-CG 4.43Å; Q262-R264 PolarHBondContact O-N 3.16Å; R264-V266 PolarHBondContact O-N 3.4Å
265E83.4Confident80.4Confident205 Ų20598.9 Ų98.996%0.95847%0.465SS*.  trans-74.5109.1174.2-161.2-177.3-179.700110.1
266V87.2Confident80.1Confident38 Ų38105.3 Ų105.323%0.2349%0.493CS..  trans-117.2130-175-177.30000110.7K256 H259 R260 R264K256-V266 HydrophobicContact CB-CG1 3.72Å; K256-V266 HydrophobicContact CD-CG1 4.04Å; K256-V266 HydrophobicContact CG-CG1 3.62Å; H259-V266 HydrophobicContact CB-CG2 3.35Å; R260-V266 HydrophobicContact CG-CB 3.98Å; R260-V266 HydrophobicContact CG-CG1 4.45Å; R260-V266 HydrophobicContact CG-CG2 4.02Å; R264-V266 PolarHBondContact O-N 3.4Å
267R84.9Confident79.4Confident211 Ų211115 Ų11580%0.79653%0.529SS*.PPolyproline II helixtrans-60.8140.9176.7-66.5-171.7-178.6-152.60.2112K256K256-R267 WeakPolarHBondContact CE-O 3.45Å; K256-R267 PolarHBondContact NZ-O 2.9Å
268P84.1Confident78.6Confident102 Ų102120.5 Ų120.566%0.66255%0.552SS**PPolyproline II helixtrans-59.4155.2-179.922.1-31.6000112.8K256K256-P268 PolarHBondContact NZ-O 3.4Å
269D87.9Confident78Confident72 Ų72119.9 Ų119.939%0.38556%0.562SS.*PPolyproline II helixtrans-78.1123.8179.7-64.6-31.1000110.6L253 K256 R260L253-D269 HydrophobicContact CD2-CB 4.13Å; K256-D269 WeakPolarHBondContact CD-OD1 3.46Å; K256-D269 WeakPolarHBondContact CE-OD1 3.41Å; K256-D269 IonicContact NZ-OD1 3.14Å; K256-D269 PolarHBondContact NZ-OD1 3.01Å; R260-D269 IonicContact CZ-OD2 3.79Å; R260-D269 IonicContact NH1-OD2 3.97Å; R260-D269 PolarHBondContact NH1-OD2 3.04Å; R260-D269 IonicContact NH2-OD1 2.88Å; R260-D269 PolarHBondContact NH2-OD1 3.37Å; R260-D269 IonicContact NH2-OD2 3.91Å; R260-D269 PolarHBondContact NH2-OD2 3.21Å
270T85.4Confident77.2Confident74 Ų74129.9 Ų129.945%0.45460%0.598SS.*  trans-118.2163.9176.866.80000110.5Y272 T273T270-Y272 PolarHBondContact O-N 3.08Å; T270-Y272 PolarHBondContact OG1-N 3.29Å; T270-T273 PolarHBondContact N-OG1 3.01Å; T270-T273 VanDerWaalsContact O-CB 3.28Å; T270-T273 WeakPolarHBondContact O-CB 3.05Å; T270-T273 PolarHBondContact O-N 2.81Å; T270-T273 PolarHBondContact O-OG1 3.49Å; T270-T273 PolarHBondContact OG1-OG1 3.38Å
271Q80.4Confident75.8Confident139 Ų139138.1 Ų138.165%0.6564%0.637SS**THydrogen-bonded Turntrans-57.8-16.5173.163.9178.6-18.400114.4
272Y76.8Confident75.8Confident140 Ų140134.9 Ų134.955%0.54963%0.63SS.*THydrogen-bonded Turntrans-95.50.7178.8-52.8-73.3000113.5T270 G274 R275T270-Y272 PolarHBondContact O-N 3.08Å; T270-Y272 PolarHBondContact OG1-N 3.29Å; Y272-G274 PolarHBondContact O-N 3.5Å; Y272-R275 WeakPolarHBondContact O-CB 2.87Å; Y272-R275 PolarHBondContact O-N 2.76Å; Y272-R275 VanDerWaalsContact O-N 3.12Å
273T79.8Confident76.2Confident13 Ų13137.4 Ų137.48%0.0864%0.642CS.*THydrogen-bonded Turntrans-62.4123.8-179.5-530000110.5R249 V252 L253 K256 T270 R275R249-T273 WeakPolarHBondContact CG-O 3.32Å; V252-T273 HydrophobicContact CB-CG2 4.37Å; V252-T273 HydrophobicContact CG1-CG2 3.54Å; L253-T273 HydrophobicContact CD2-CG2 3.97Å; L253-T273 HydrophobicContact CG-CG2 4.46Å; K256-T273 HydrophobicContact CD-CG2 4.36Å; T270-T273 PolarHBondContact N-OG1 3.01Å; T270-T273 VanDerWaalsContact O-CB 3.28Å; T270-T273 WeakPolarHBondContact O-CB 3.05Å; T270-T273 PolarHBondContact O-N 2.81Å; T270-T273 PolarHBondContact O-OG1 3.49Å; T270-T273 PolarHBondContact OG1-OG1 3.38Å; T273-R275 VanDerWaalsContact C-N 3.29Å; T273-R275 PolarHBondContact O-N 3.11Å
274G75.8Confident76.3Confident33 Ų33141.1 Ų141.134%0.3464%0.637SS.*THydrogen-bonded Turntrans76.25.4-177.900000115.5Y272Y272-G274 PolarHBondContact O-N 3.5Å
275R78.1Confident76.1Confident179 Ų179143.8 Ų143.868%0.67565%0.653SS**PPolyproline II helixtrans-78.6128.4177.3-165.7174.2-177174.20.8110.8Y272 T273 R277Y272-R275 WeakPolarHBondContact O-CB 2.87Å; Y272-R275 PolarHBondContact O-N 2.76Å; Y272-R275 VanDerWaalsContact O-N 3.12Å; T273-R275 VanDerWaalsContact C-N 3.29Å; T273-R275 PolarHBondContact O-N 3.11Å; R275-R277 PolarHBondContact O-N 3.09Å
276K71.6Confident75.7Confident201 Ų201139.9 Ų139.987%0.87463%0.634SS**PPolyproline II helixtrans-59.8125171.6-75.1-175.2179.81790109.5
277R74.3Confident74.9Confident237 Ų237146.7 Ų146.789%0.89466%0.661SS**PPolyproline II helixtrans-74.1137.2172-65.1-178.2179179.3-0.9108.5R275R275-R277 PolarHBondContact O-N 3.09Å
278K66.5Low74.2Confident192 Ų192142.1 Ų142.184%0.83565%0.651SS**PPolyproline II helixtrans-64.7141.7172.8-71.3-172.5176.7-174.60109R280K278-R280 PolarHBondContact O-N 2.91Å
279P61.8Low73.5Confident98 Ų98145.2 Ų145.264%0.63665%0.651SS**PPolyproline II helixtrans-58.1131.5170.724.3-30.9000108.6F281P279-F281 HydrophobicContact CB-CE2 4.44Å; P279-F281 HydrophobicContact CG-CE2 4.11Å; P279-F281 HydrophobicContact CG-CZ 4.38Å
280R60.8Low72.2Confident249 Ų249151.3 Ų151.394%0.9467%0.673SS**  trans-87.3114.5164.7-81.5-176.1148.9-172.9-7.9105.8K278K278-R280 PolarHBondContact O-N 2.91Å
281F55.7Low71.1Confident261 Ų261158.4 Ų158.4100%1.14569%0.693SS**  trans-80.10163.5-63.7-80.2000108.5P279P279-F281 HydrophobicContact CB-CE2 4.44Å; P279-F281 HydrophobicContact CG-CE2 4.11Å; P279-F281 HydrophobicContact CG-CZ 4.38Å

Retrieved 281 of 281 residues in 1340.8 ms (Link to these results)

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