A0A3Q0KSJ2_SCHMA 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 A0A3Q0KSJ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 277 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
1M32.6Very low77.2Confident224 Ų22496.4 Ų96.4100%1.10350%0.496SS*.  0127.90-63.6-179.1-155.500106.8H3M1-H3 PolarHBondContact O-N 3.13Å
2S46.6Very low78.6Confident114 Ų11489.8 Ų89.880%0.79746%0.464SS*.  trans-58.5108169.6176.50000106.7K4S2-K4 VanDerWaalsContact C-N 3.3Å; S2-K4 PolarHBondContact O-N 3.27Å
3H57.3Low79.7Confident179 Ų17986.6 Ų86.683%0.82945%0.445SS*.  trans-64.1100.7173.1-81.4-73.8000105.9M1 R5M1-H3 PolarHBondContact O-N 3.13Å; H3-R5 PolarHBondContact O-N 3.23Å
4K78.4Confident80.8Confident177 Ų17787.4 Ų87.477%0.7745%0.45SS*.  trans-54.4134.2172.3-78-173.7176.7-1760107.5S2S2-K4 VanDerWaalsContact C-N 3.3Å; S2-K4 PolarHBondContact O-N 3.27Å
5R87Confident81.7Confident56 Ų5685.5 Ų85.521%0.21144%0.435CS..  trans-51.8130.5173.8-72.7-160.371.7132.7-0.3109.9H3 E7 H8 Y162 P163H3-R5 PolarHBondContact O-N 3.23Å; R5-E7 VanDerWaalsContact CB-OE2 3.27Å; R5-E7 WeakPolarHBondContact CB-OE2 3.26Å; R5-E7 IonicContact CZ-OE1 3.87Å; R5-E7 IonicContact CZ-OE2 3.56Å; R5-E7 IonicContact NE-OE1 3.15Å; R5-E7 IonicContact NE-OE2 2.75Å; R5-E7 PolarHBondContact NE-OE2 3.12Å; R5-E7 VanDerWaalsContact NE-OE2 3.15Å; R5-E7 IonicContact NH2-OE1 3.64Å; R5-E7 PolarHBondContact NH2-OE1 3.12Å; R5-E7 IonicContact NH2-OE2 3Å; R5-E7 PolarHBondContact O-N 3.42Å; R5-E7 VanDerWaalsContact O-N 3.16Å; R5-H8 HydrophobicContact CB-CB 4.44Å; R5-H8 PolarHBondContact O-N 3.08Å; R5-Y162 PolarHBondContact NH1-O 2.75Å; R5-Y162 PolarHBondContact NH2-O 2.76Å; R5-P163 PolarHBondContact NH1-O 3.35Å
6P91.4Very high82.5Confident40 Ų4082.4 Ų82.426%0.2642%0.417SS..G310 helixtrans-48.5-40173.3-31.438.3000112.4H8 S9 Y15 W125P6-H8 PolarHBondContact O-N 3.42Å; P6-H8 VanDerWaalsContact O-N 3.09Å; P6-S9 PolarHBondContact O-N 3.38Å; P6-S9 PolarHBondContact O-OG 2.96Å; P6-Y15 HydrophobicContact CB-CD1 4.26Å; P6-Y15 HydrophobicContact CB-CD2 4.3Å; P6-Y15 HydrophobicContact CB-CE1 3.82Å; P6-Y15 HydrophobicContact CB-CE2 3.85Å; P6-Y15 HydrophobicContact CB-CG 4.49Å; P6-Y15 HydrophobicContact CG-CE1 4.31Å; P6-W125 HydrophobicContact CB-CH2 3.57Å; P6-W125 HydrophobicContact CB-CZ2 3.69Å
7E91.3Very high83.2Confident10 Ų1081.5 Ų81.55%0.04741%0.414CS..G310 helixtrans-65.6-15-177.2-48.192.3149.900113.7R5 Q124 W125 N128R5-E7 VanDerWaalsContact CB-OE2 3.27Å; R5-E7 WeakPolarHBondContact CB-OE2 3.26Å; R5-E7 IonicContact CZ-OE1 3.87Å; R5-E7 IonicContact CZ-OE2 3.56Å; R5-E7 IonicContact NE-OE1 3.15Å; R5-E7 IonicContact NE-OE2 2.75Å; R5-E7 PolarHBondContact NE-OE2 3.12Å; R5-E7 VanDerWaalsContact NE-OE2 3.15Å; R5-E7 IonicContact NH2-OE1 3.64Å; R5-E7 PolarHBondContact NH2-OE1 3.12Å; R5-E7 IonicContact NH2-OE2 3Å; R5-E7 PolarHBondContact O-N 3.42Å; R5-E7 VanDerWaalsContact O-N 3.16Å; E7-Q124 HydrophobicContact CG-CG 4.21Å; E7-Q124 WeakPolarHBondContact OE1-CG 3.45Å; E7-Q124 PolarHBondContact OE1-NE2 3.36Å; E7-W125 HydrophobicContact CB-CD2 4.43Å; E7-W125 HydrophobicContact CB-CE3 4.07Å; E7-W125 HydrophobicContact CB-CZ3 4.25Å; E7-W125 HydrophobicContact CG-CD2 3.69Å; E7-W125 HydrophobicContact CG-CE3 3.83Å; E7-W125 HydrophobicContact CG-CG 4.17Å; E7-W125 HydrophobicContact CG-CH2 4.37Å; E7-W125 HydrophobicContact CG-CZ2 4.21Å; E7-W125 HydrophobicContact CG-CZ3 4.18Å; E7-N128 VanDerWaalsContact CB-ND2 3.32Å; E7-N128 WeakPolarHBondContact CB-ND2 3.31Å; E7-N128 PolarHBondContact O-ND2 3.31Å
8H90.3Very high83.7Confident98 Ų9879.2 Ų79.245%0.45441%0.406SS..G310 helixtrans-96.8-4.6176.8-63.5175.8000112.9R5 P6 E164R5-H8 HydrophobicContact CB-CB 4.44Å; R5-H8 PolarHBondContact O-N 3.08Å; P6-H8 PolarHBondContact O-N 3.42Å; P6-H8 VanDerWaalsContact O-N 3.09Å; H8-E164 IonicContact CE1-OE1 2.81Å; H8-E164 PolarHBondContact CE1-OE1 2.74Å; H8-E164 IonicContact CE1-OE2 3.6Å; H8-E164 IonicContact NE2-OE1 3.13Å; H8-E164 PolarHBondContact NE2-OE1 3.12Å; H8-E164 IonicContact NE2-OE2 2.84Å; H8-E164 PolarHBondContact NE2-OE2 3.4Å
9S90.3Very high84.3Confident63 Ų6381.5 Ų81.544%0.44142%0.419SS..THydrogen-bonded Turntrans-97.8-54.5-17264.30000112.7P6 Y15P6-S9 PolarHBondContact O-N 3.38Å; P6-S9 PolarHBondContact O-OG 2.96Å; S9-Y15 VanDerWaalsContact OG-CD2 3.24Å; S9-Y15 WeakPolarHBondContact OG-CD2 3.43Å; S9-Y15 WeakPolarHBondContact OG-CE2 3.13Å
10L91.4Very high84.8Confident81 Ų8180 Ų8042%0.42441%0.41SS..SBendtrans-150.3157.5-178.7-73.1176000109L14 W125L10-L14 HydrophobicContact CB-CB 4.29Å; L10-L14 HydrophobicContact CD1-CB 4.39Å; L10-W125 WeakPolarHBondContact O-CZ3 3.48Å
11P93.1Very high85.2Confident18 Ų1876.1 Ų76.112%0.11739%0.391CS..  trans-52.3150.7165.9-15.820.4000111.9E13 L14 Y15 D130P11-E13 VanDerWaalsContact C-N 3.27Å; P11-E13 VanDerWaalsContact CB-CD 3.42Å; P11-E13 HydrophobicContact CB-CG 4.34Å; P11-E13 WeakPolarHBondContact CB-OE2 3.38Å; P11-E13 PolarHBondContact O-N 2.94Å; P11-L14 HydrophobicContact CG-CD1 4.07Å; P11-L14 HydrophobicContact CG-CG 4.36Å; P11-L14 PolarHBondContact O-N 2.88Å; P11-Y15 WeakPolarHBondContact O-CB 3.17Å; P11-Y15 PolarHBondContact O-N 2.92Å; P11-D130 HydrophobicContact CB-CB 4.17Å; P11-D130 HydrophobicContact CG-CB 3.76Å
12P93.8Very high88.1Confident17 Ų1770.9 Ų70.911%0.1136%0.362CS..Hα-helixtrans-58.9-36-177.223.1-32.3000113.2L14 Y16 I81 W125P12-L14 PolarHBondContact O-N 3.33Å; P12-Y16 PolarHBondContact O-N 3.48Å; P12-Y16 VanDerWaalsContact O-N 3.09Å; P12-I81 HydrophobicContact CB-CG2 3.87Å; P12-I81 HydrophobicContact CG-CD1 4.49Å; P12-I81 HydrophobicContact CG-CG2 3.72Å; P12-W125 HydrophobicContact CB-CD2 3.86Å; P12-W125 HydrophobicContact CB-CE3 3.68Å; P12-W125 HydrophobicContact CB-CG 4.34Å; P12-W125 HydrophobicContact CB-CH2 4.48Å; P12-W125 HydrophobicContact CB-CZ3 4Å; P12-W125 HydrophobicContact CG-CB 4.45Å; P12-W125 HydrophobicContact CG-CD2 4.33Å; P12-W125 HydrophobicContact CG-CE3 3.98Å
13E93.1Very high90.3Very high49 Ų4971.1 Ų71.123%0.22935%0.348CS..Hα-helixtrans-66.1-21.2177.467.6-87.4-154.100113.8P11 I81 R131P11-E13 VanDerWaalsContact C-N 3.27Å; P11-E13 VanDerWaalsContact CB-CD 3.42Å; P11-E13 HydrophobicContact CB-CG 4.34Å; P11-E13 WeakPolarHBondContact CB-OE2 3.38Å; P11-E13 PolarHBondContact O-N 2.94Å; E13-I81 HydrophobicContact CB-CG1 4.27Å; E13-R131 IonicContact OE1-NH1 3.25Å; E13-R131 PolarHBondContact OE1-NH1 3.13Å; E13-R131 VanDerWaalsContact OE1-NH1 3.13Å
14L94.3Very high91.9Very high98 Ų9864.3 Ų64.351%0.51332%0.316SS..Hα-helixtrans-103.3-32.3177.5-59.4-174.1000112.4L10 P11 P12L10-L14 HydrophobicContact CB-CB 4.29Å; L10-L14 HydrophobicContact CD1-CB 4.39Å; P11-L14 HydrophobicContact CG-CD1 4.07Å; P11-L14 HydrophobicContact CG-CG 4.36Å; P11-L14 PolarHBondContact O-N 2.88Å; P12-L14 PolarHBondContact O-N 3.33Å
15Y94.3Very high92.5Very high58 Ų5856.6 Ų56.623%0.22728%0.284CS..Hα-helixtrans-66-50.6177.4-176.9-91.9000111P6 S9 P11 N17 E20 W125P6-Y15 HydrophobicContact CB-CD1 4.26Å; P6-Y15 HydrophobicContact CB-CD2 4.3Å; P6-Y15 HydrophobicContact CB-CE1 3.82Å; P6-Y15 HydrophobicContact CB-CE2 3.85Å; P6-Y15 HydrophobicContact CB-CG 4.49Å; P6-Y15 HydrophobicContact CG-CE1 4.31Å; S9-Y15 VanDerWaalsContact OG-CD2 3.24Å; S9-Y15 WeakPolarHBondContact OG-CD2 3.43Å; S9-Y15 WeakPolarHBondContact OG-CE2 3.13Å; P11-Y15 WeakPolarHBondContact O-CB 3.17Å; P11-Y15 PolarHBondContact O-N 2.92Å; Y15-N17 PolarHBondContact O-N 3.35Å; Y15-E20 HydrophobicContact CE1-CG 4.34Å; Y15-W125 AromaticContact CD1-CH2 3.98Å; Y15-W125 HydrophobicContact CD1-CH2 3.98Å; Y15-W125 HydrophobicContact CD1-CZ2 4.37Å; Y15-W125 AromaticContact CG-CH2 3.94Å; Y15-W125 HydrophobicContact CG-CH2 3.94Å
16Y94.4Very high92.8Very high37 Ų3758.1 Ų58.115%0.14530%0.303CS..SBendtrans-86.562.8176.3-65.1-73000110.8P12 Y24 S82 M85 W125P12-Y16 PolarHBondContact O-N 3.48Å; P12-Y16 VanDerWaalsContact O-N 3.09Å; Y16-Y24 HydrophobicContact CE1-CD2 4.23Å; Y16-Y24 HydrophobicContact CE1-CE2 4.48Å; Y16-S82 PolarHBondContact O-OG 3.35Å; Y16-M85 HydrophobicContact CD1-CE 4.28Å; Y16-M85 HydrophobicContact CD1-CG 4.45Å; Y16-M85 HydrophobicContact CD1-SD 4.1Å; Y16-M85 HydrophobicContact CG-CG 4.17Å; Y16-M85 HydrophobicContact CG-SD 4.41Å; Y16-W125 HydrophobicContact CD2-CZ2 4.39Å; Y16-W125 HydrophobicContact CE2-CH2 4.16Å; Y16-W125 AromaticContact CE2-CZ2 3.47Å; Y16-W125 HydrophobicContact CE2-CZ2 3.47Å; Y16-W125 VanDerWaalsContact CE2-CZ2 3.47Å
17N94.1Very high92.9Very high67 Ų6759.2 Ų59.236%0.35831%0.307SS..  trans-73.7173.5170.863.342.2000111.6Y15 D19 E20 A21 D84Y15-N17 PolarHBondContact O-N 3.35Å; N17-D19 PolarHBondContact O-N 3.1Å; N17-D19 VanDerWaalsContact O-N 3.1Å; N17-D19 PolarHBondContact OD1-N 2.89Å; N17-D19 VanDerWaalsContact OD1-N 3.14Å; N17-E20 PolarHBondContact O-N 2.9Å; N17-E20 PolarHBondContact OD1-N 3.22Å; N17-A21 WeakPolarHBondContact O-CB 3.26Å; N17-A21 PolarHBondContact O-N 3.45Å; N17-D84 VanDerWaalsContact C-OD2 3.24Å; N17-D84 WeakPolarHBondContact CA-OD2 3.41Å
18S93.7Very high93Very high40 Ų4063.3 Ų63.328%0.2834%0.337SS..Hα-helixtrans-46-43.6-179.9157.60000114K22 D84S18-K22 WeakPolarHBondContact O-CB 3.32Å; S18-K22 VanDerWaalsContact O-CG 3.28Å; S18-K22 WeakPolarHBondContact O-CG 3.37Å; S18-K22 PolarHBondContact O-N 3.48Å; S18-K22 VanDerWaalsContact O-N 3.13Å; S18-K22 PolarHBondContact OG-NZ 2.8Å; S18-D84 VanDerWaalsContact N-CG 3.33Å; S18-D84 PolarHBondContact N-OD2 2.84Å
19D94.6Very high93.2Very high122 Ų12263.6 Ų63.665%0.65234%0.338SS*.Hα-helixtrans-73.4-47.2-176.4-66.3-22.3000111.5N17 A21 K22 K23N17-D19 PolarHBondContact O-N 3.1Å; N17-D19 VanDerWaalsContact O-N 3.1Å; N17-D19 PolarHBondContact OD1-N 2.89Å; N17-D19 VanDerWaalsContact OD1-N 3.14Å; D19-A21 VanDerWaalsContact C-N 3.32Å; D19-A21 PolarHBondContact O-N 2.92Å; D19-K22 PolarHBondContact O-N 2.77Å; D19-K23 WeakPolarHBondContact O-CB 3.43Å; D19-K23 PolarHBondContact O-N 2.74Å
20E93.7Very high93.2Very high51 Ų5162.6 Ų62.624%0.23833%0.327CS..Hα-helixtrans-68.7-33.4178.9-16461.4-152.600111.1Y15 N17 K23 Y24Y15-E20 HydrophobicContact CE1-CG 4.34Å; N17-E20 PolarHBondContact O-N 2.9Å; N17-E20 PolarHBondContact OD1-N 3.22Å; E20-K23 PolarHBondContact O-N 3.07Å; E20-K23 IonicContact OE1-NZ 3.34Å; E20-K23 PolarHBondContact OE1-NZ 3.49Å; E20-K23 IonicContact OE2-NZ 3.09Å; E20-K23 PolarHBondContact OE2-NZ 2.83Å; E20-K23 VanDerWaalsContact OE2-NZ 3.09Å; E20-Y24 WeakPolarHBondContact O-CB 3.43Å; E20-Y24 PolarHBondContact O-N 3.16Å
21A93.9Very high93.4Very high0 Ų061.1 Ų61.10%032%0.319CS..Hα-helixtrans-63.3-45.717500000112.5N17 D19 S25 D84 M85 V88N17-A21 WeakPolarHBondContact O-CB 3.26Å; N17-A21 PolarHBondContact O-N 3.45Å; D19-A21 VanDerWaalsContact C-N 3.32Å; D19-A21 PolarHBondContact O-N 2.92Å; A21-S25 WeakPolarHBondContact O-CB 3.32Å; A21-S25 PolarHBondContact O-N 3.14Å; A21-S25 PolarHBondContact O-OG 3.39Å; A21-D84 HydrophobicContact CB-CB 4.47Å; A21-M85 VanDerWaalsContact CA-SD 3.58Å; A21-M85 HydrophobicContact CB-CG 4.03Å; A21-M85 HydrophobicContact CB-SD 3.45Å; A21-M85 WeakPolarHBondContact CB-SD 3.26Å; A21-V88 HydrophobicContact CB-CG2 3.99Å
22K93.5Very high93.5Very high113 Ų11363.3 Ų63.349%0.49133%0.33SS..Hα-helixtrans-65.4-42.8175.6-74.8170.4-176.8164.50111.7S18 D19 S25 S26 V88S18-K22 WeakPolarHBondContact O-CB 3.32Å; S18-K22 VanDerWaalsContact O-CG 3.28Å; S18-K22 WeakPolarHBondContact O-CG 3.37Å; S18-K22 PolarHBondContact O-N 3.48Å; S18-K22 VanDerWaalsContact O-N 3.13Å; S18-K22 PolarHBondContact OG-NZ 2.8Å; D19-K22 PolarHBondContact O-N 2.77Å; K22-S25 PolarHBondContact O-N 2.98Å; K22-S26 WeakPolarHBondContact O-CB 3.48Å; K22-S26 PolarHBondContact O-N 2.96Å; K22-S26 PolarHBondContact O-OG 3.47Å; K22-V88 HydrophobicContact CG-CG2 4.13Å
23K93.3Very high93.5Very high119 Ų11964.5 Ų64.552%0.51734%0.335SS..Hα-helixtrans-65-43177.3-179.9-176.9161.9-149.70112.2D19 E20 S25 S26 N27D19-K23 WeakPolarHBondContact O-CB 3.43Å; D19-K23 PolarHBondContact O-N 2.74Å; E20-K23 PolarHBondContact O-N 3.07Å; E20-K23 IonicContact OE1-NZ 3.34Å; E20-K23 PolarHBondContact OE1-NZ 3.49Å; E20-K23 IonicContact OE2-NZ 3.09Å; E20-K23 PolarHBondContact OE2-NZ 2.83Å; E20-K23 VanDerWaalsContact OE2-NZ 3.09Å; K23-S25 VanDerWaalsContact C-N 3.32Å; K23-S25 PolarHBondContact O-N 3.02Å; K23-S26 WeakPolarHBondContact CA-OG 3.02Å; K23-S26 PolarHBondContact O-OG 2.86Å; K23-N27 WeakPolarHBondContact O-CB 3.28Å; K23-N27 PolarHBondContact O-N 3.13Å
24Y90.3Very high93.6Very high37 Ų3763 Ų6315%0.14533%0.328CS..Hα-helixtrans-58.8-45.7174.9-176-87.4000111Y16 E20 S26 I30 Q34 L64 M85Y16-Y24 HydrophobicContact CE1-CD2 4.23Å; Y16-Y24 HydrophobicContact CE1-CE2 4.48Å; E20-Y24 WeakPolarHBondContact O-CB 3.43Å; E20-Y24 PolarHBondContact O-N 3.16Å; Y24-S26 PolarHBondContact O-N 3.2Å; Y24-I30 HydrophobicContact CD1-CG2 4.19Å; Y24-I30 HydrophobicContact CD2-CD1 4.03Å; Y24-I30 HydrophobicContact CD2-CG2 3.94Å; Y24-I30 HydrophobicContact CE1-CG2 3.85Å; Y24-I30 HydrophobicContact CE2-CD1 4.41Å; Y24-I30 HydrophobicContact CE2-CG2 3.6Å; Y24-I30 HydrophobicContact CG-CG2 4.22Å; Y24-Q34 WeakPolarHBondContact OH-CG 3.4Å; Y24-Q34 PolarHBondContact OH-NE2 3.03Å; Y24-L64 HydrophobicContact CD1-CD1 4.39Å; Y24-L64 HydrophobicContact CE1-CD1 3.88Å; Y24-M85 HydrophobicContact CD1-CE 3.95Å; Y24-M85 HydrophobicContact CE1-CE 4.17Å
25S91Very high93.8Very high14 Ų1459.2 Ų59.210%0.09831%0.309CS..Hα-helixtrans-80.9-13.8-174.1-54.90000114.7A21 K22 K23 I31 S62 V88A21-S25 WeakPolarHBondContact O-CB 3.32Å; A21-S25 PolarHBondContact O-N 3.14Å; A21-S25 PolarHBondContact O-OG 3.39Å; K22-S25 PolarHBondContact O-N 2.98Å; K23-S25 VanDerWaalsContact C-N 3.32Å; K23-S25 PolarHBondContact O-N 3.02Å; S25-I31 WeakPolarHBondContact O-CD1 3.44Å; S25-S62 WeakPolarHBondContact OG-CB 3.28Å; S25-S62 PolarHBondContact OG-OG 2.79Å; S25-V88 WeakPolarHBondContact OG-CG1 3.48Å
26S92.3Very high93.9Very high89 Ų8962.3 Ų62.362%0.62232%0.32SS*.Hα-helixtrans-98.1-10.7175.253.30000113.3K22 K23 Y24 S28K22-S26 WeakPolarHBondContact O-CB 3.48Å; K22-S26 PolarHBondContact O-N 2.96Å; K22-S26 PolarHBondContact O-OG 3.47Å; K23-S26 WeakPolarHBondContact CA-OG 3.02Å; K23-S26 PolarHBondContact O-OG 2.86Å; Y24-S26 PolarHBondContact O-N 3.2Å; S26-S28 PolarHBondContact O-N 3.25Å
27N93.7Very high94.1Very high62 Ų6261 Ų6133%0.33232%0.316SS..  trans-81.4104.8-178.4-175.1-29.5000111.5K23 H29 I30 I31K23-N27 WeakPolarHBondContact O-CB 3.28Å; K23-N27 PolarHBondContact O-N 3.13Å; N27-H29 PolarHBondContact O-N 3.43Å; N27-H29 VanDerWaalsContact O-N 3.15Å; N27-H29 PolarHBondContact OD1-N 2.86Å; N27-H29 VanDerWaalsContact OD1-N 3.09Å; N27-I30 HydrophobicContact CB-CB 4.07Å; N27-I30 HydrophobicContact CB-CD1 3.9Å; N27-I30 HydrophobicContact CB-CG1 4.01Å; N27-I30 WeakPolarHBondContact O-CB 3.45Å; N27-I30 PolarHBondContact O-N 3.19Å; N27-I30 PolarHBondContact OD1-N 3.11Å; N27-I31 WeakPolarHBondContact O-CG1 3.32Å; N27-I31 PolarHBondContact O-N 2.9Å
28S94.5Very high94.3Very high97 Ų9757.8 Ų57.868%0.67830%0.299SS*.Hα-helixtrans-55-34.6-177.759.50000114.6S26 I31 D32S26-S28 PolarHBondContact O-N 3.25Å; S28-I31 PolarHBondContact O-N 2.98Å; S28-D32 PolarHBondContact O-N 2.98Å
29H93.3Very high94.5Very high104 Ų10457.6 Ų57.648%0.48129%0.293SS..Hα-helixtrans-72.5-36178177.8-94.1000112N27 I33N27-H29 PolarHBondContact O-N 3.43Å; N27-H29 VanDerWaalsContact O-N 3.15Å; N27-H29 PolarHBondContact OD1-N 2.86Å; N27-H29 VanDerWaalsContact OD1-N 3.09Å; H29-I33 WeakPolarHBondContact CE1-CD1 3.36Å; H29-I33 WeakPolarHBondContact O-CG1 3.25Å; H29-I33 PolarHBondContact O-N 2.75Å; H29-I33 VanDerWaalsContact O-N 3.16Å
30I92Very high94.6Very high41 Ų4153.1 Ų53.121%0.2127%0.267CS..Hα-helixtrans-66.2-46.9172.8-67.8179.2000109.5Y24 N27 D32 I33 Q34Y24-I30 HydrophobicContact CD1-CG2 4.19Å; Y24-I30 HydrophobicContact CD2-CD1 4.03Å; Y24-I30 HydrophobicContact CD2-CG2 3.94Å; Y24-I30 HydrophobicContact CE1-CG2 3.85Å; Y24-I30 HydrophobicContact CE2-CD1 4.41Å; Y24-I30 HydrophobicContact CE2-CG2 3.6Å; Y24-I30 HydrophobicContact CG-CG2 4.22Å; N27-I30 HydrophobicContact CB-CB 4.07Å; N27-I30 HydrophobicContact CB-CD1 3.9Å; N27-I30 HydrophobicContact CB-CG1 4.01Å; N27-I30 WeakPolarHBondContact O-CB 3.45Å; N27-I30 PolarHBondContact O-N 3.19Å; N27-I30 PolarHBondContact OD1-N 3.11Å; I30-D32 PolarHBondContact O-N 3.31Å; I30-I33 PolarHBondContact O-N 2.83Å; I30-Q34 HydrophobicContact CG2-CG 4.1Å; I30-Q34 VanDerWaalsContact O-CG 3.32Å; I30-Q34 WeakPolarHBondContact O-CG 3.36Å; I30-Q34 PolarHBondContact O-N 2.97Å
31I94.1Very high94.9Very high50 Ų5050.7 Ų50.726%0.25626%0.256SS..Hα-helixtrans-54.6-52.6177.7-63.5169.8000110.3S25 N27 S28 I33 Q34 T35 L64S25-I31 WeakPolarHBondContact O-CD1 3.44Å; N27-I31 WeakPolarHBondContact O-CG1 3.32Å; N27-I31 PolarHBondContact O-N 2.9Å; S28-I31 PolarHBondContact O-N 2.98Å; I31-I33 VanDerWaalsContact C-N 3.33Å; I31-I33 PolarHBondContact O-N 3.15Å; I31-Q34 PolarHBondContact O-N 3.48Å; I31-T35 WeakPolarHBondContact O-CB 3.45Å; I31-T35 PolarHBondContact O-N 3.34Å; I31-T35 PolarHBondContact O-OG1 3.22Å; I31-L64 HydrophobicContact CB-CD2 4.43Å; I31-L64 HydrophobicContact CG1-CD1 4.31Å; I31-L64 HydrophobicContact CG1-CD2 4.02Å; I31-L64 HydrophobicContact CG2-CD2 4.03Å
32D95.6Very high95Very high65 Ų6551.5 Ų51.535%0.34826%0.26SS..Hα-helixtrans-57.7-43.5178.8173.870.9000112.8S28 I30 R36S28-D32 PolarHBondContact O-N 2.98Å; I30-D32 PolarHBondContact O-N 3.31Å; D32-R36 WeakPolarHBondContact O-CG 3.45Å; D32-R36 PolarHBondContact O-N 2.97Å; D32-R36 IonicContact OD1-NE 3.64Å; D32-R36 IonicContact OD2-CZ 2.79Å; D32-R36 VanDerWaalsContact OD2-CZ 3.25Å; D32-R36 IonicContact OD2-NE 2.76Å; D32-R36 PolarHBondContact OD2-NE 3.15Å; D32-R36 IonicContact OD2-NH2 2.65Å; D32-R36 PolarHBondContact OD2-NH2 3.2Å
33I94.3Very high95.2Very high41 Ų4149.8 Ų49.821%0.2125%0.254CS..Hα-helixtrans-63-47.5177.5-74173.6000110.9H29 I30 I31 R36 I37H29-I33 WeakPolarHBondContact CE1-CD1 3.36Å; H29-I33 WeakPolarHBondContact O-CG1 3.25Å; H29-I33 PolarHBondContact O-N 2.75Å; H29-I33 VanDerWaalsContact O-N 3.16Å; I30-I33 PolarHBondContact O-N 2.83Å; I31-I33 VanDerWaalsContact C-N 3.33Å; I31-I33 PolarHBondContact O-N 3.15Å; I33-R36 PolarHBondContact O-N 3.26Å; I33-I37 HydrophobicContact CG2-CD1 3.57Å; I33-I37 HydrophobicContact CG2-CG1 4.35Å; I33-I37 WeakPolarHBondContact O-CB 3.17Å; I33-I37 VanDerWaalsContact O-CG1 3.24Å; I33-I37 WeakPolarHBondContact O-CG1 3.16Å; I33-I37 PolarHBondContact O-N 3.37Å
34Q95.6Very high95.4Very high17 Ų1744.1 Ų44.18%0.07923%0.229CC..Hα-helixtrans-64.4-41.4-179.1-68.4-57.4-25.400111.4Y24 I30 I31 I37 T38 L64Y24-Q34 WeakPolarHBondContact OH-CG 3.4Å; Y24-Q34 PolarHBondContact OH-NE2 3.03Å; I30-Q34 HydrophobicContact CG2-CG 4.1Å; I30-Q34 VanDerWaalsContact O-CG 3.32Å; I30-Q34 WeakPolarHBondContact O-CG 3.36Å; I30-Q34 PolarHBondContact O-N 2.97Å; I31-Q34 PolarHBondContact O-N 3.48Å; Q34-I37 PolarHBondContact O-N 3.47Å; Q34-T38 WeakPolarHBondContact O-CB 3.47Å; Q34-T38 PolarHBondContact O-N 2.82Å; Q34-T38 PolarHBondContact O-OG1 2.83Å; Q34-L64 HydrophobicContact CB-CD1 4.28Å; Q34-L64 HydrophobicContact CG-CD1 4.32Å
35T97.1Very high95.7Very high20 Ų2042.6 Ų42.612%0.12322%0.224CC..Hα-helixtrans-58.7-51.7174.5-620000111.2I31 I37 T38 E39 V68I31-T35 WeakPolarHBondContact O-CB 3.45Å; I31-T35 PolarHBondContact O-N 3.34Å; I31-T35 PolarHBondContact O-OG1 3.22Å; T35-I37 VanDerWaalsContact C-N 3.35Å; T35-I37 PolarHBondContact O-N 2.86Å; T35-T38 PolarHBondContact O-N 2.98Å; T35-E39 WeakPolarHBondContact CG2-OE1 3.31Å; T35-E39 WeakPolarHBondContact O-CG 3.28Å; T35-E39 PolarHBondContact O-N 2.82Å; T35-V68 HydrophobicContact CG2-CG2 3.87Å
36R97Very high95.9Very high123 Ų12344.2 Ų44.246%0.46424%0.238SC..Hα-helixtrans-63.8-37.8-179.7-73.8-173.1-70.2120.3-5113.3D32 I33 R40D32-R36 WeakPolarHBondContact O-CG 3.45Å; D32-R36 PolarHBondContact O-N 2.97Å; D32-R36 IonicContact OD1-NE 3.64Å; D32-R36 IonicContact OD2-CZ 2.79Å; D32-R36 VanDerWaalsContact OD2-CZ 3.25Å; D32-R36 IonicContact OD2-NE 2.76Å; D32-R36 PolarHBondContact OD2-NE 3.15Å; D32-R36 IonicContact OD2-NH2 2.65Å; D32-R36 PolarHBondContact OD2-NH2 3.2Å; I33-R36 PolarHBondContact O-N 3.26Å; R36-R40 PolarHBondContact O-N 3.31Å; R36-R40 VanDerWaalsContact O-N 3.13Å
37I97.9Very high96Very high9 Ų941.5 Ų41.55%0.04622%0.216CC..Hα-helixtrans-66.7-41.4175.9-70.2170.4000110.4I33 Q34 T35 R40 A41 I120 Q160 K197 F199I33-I37 HydrophobicContact CG2-CD1 3.57Å; I33-I37 HydrophobicContact CG2-CG1 4.35Å; I33-I37 WeakPolarHBondContact O-CB 3.17Å; I33-I37 VanDerWaalsContact O-CG1 3.24Å; I33-I37 WeakPolarHBondContact O-CG1 3.16Å; I33-I37 PolarHBondContact O-N 3.37Å; Q34-I37 PolarHBondContact O-N 3.47Å; T35-I37 VanDerWaalsContact C-N 3.35Å; T35-I37 PolarHBondContact O-N 2.86Å; I37-R40 WeakPolarHBondContact O-CB 3.12Å; I37-R40 PolarHBondContact O-N 3.21Å; I37-A41 PolarHBondContact O-N 3.1Å; I37-I120 HydrophobicContact CB-CG2 4.21Å; I37-I120 HydrophobicContact CG2-CD1 4.05Å; I37-I120 HydrophobicContact CG2-CG2 3.49Å; I37-I120 VanDerWaalsContact CG2-CG2 3.49Å; I37-Q160 HydrophobicContact CG2-CB 3.62Å; I37-Q160 HydrophobicContact CG2-CG 3.46Å; I37-Q160 VanDerWaalsContact CG2-CG 3.46Å; I37-K197 HydrophobicContact CD1-CD 3.99Å; I37-K197 HydrophobicContact CG1-CD 4.27Å; I37-F199 HydrophobicContact CG2-CE1 4.15Å; I37-F199 HydrophobicContact CG2-CZ 4.23Å
38T98.4Very high95.9Very high0 Ų041.7 Ų41.70%022%0.221CC..Hα-helixtrans-65.4-44.9179.1-55.70000111.4Q34 T35 R40 A41 L42 S65 V68 I118Q34-T38 WeakPolarHBondContact O-CB 3.47Å; Q34-T38 PolarHBondContact O-N 2.82Å; Q34-T38 PolarHBondContact O-OG1 2.83Å; T35-T38 PolarHBondContact O-N 2.98Å; T38-R40 VanDerWaalsContact C-N 3.28Å; T38-R40 PolarHBondContact O-N 3.03Å; T38-A41 WeakPolarHBondContact O-CB 3.2Å; T38-A41 PolarHBondContact O-N 3.33Å; T38-L42 WeakPolarHBondContact O-CG 3.22Å; T38-L42 PolarHBondContact O-N 2.92Å; T38-S65 WeakPolarHBondContact OG1-CB 3.07Å; T38-V68 HydrophobicContact CG2-CB 3.7Å; T38-V68 HydrophobicContact CG2-CG1 3.73Å; T38-V68 HydrophobicContact CG2-CG2 4.4Å; T38-I118 HydrophobicContact CG2-CD1 3.71Å
39E98.1Very high95.5Very high35 Ų3546.2 Ų46.216%0.16423%0.231CC..Hα-helixtrans-55.1-45.6173.5-72.5167.817700111T35 A41 L42 E43 V68 L228 R232T35-E39 WeakPolarHBondContact CG2-OE1 3.31Å; T35-E39 WeakPolarHBondContact O-CG 3.28Å; T35-E39 PolarHBondContact O-N 2.82Å; E39-A41 PolarHBondContact O-N 3.42Å; E39-L42 PolarHBondContact O-N 3.49Å; E39-E43 WeakPolarHBondContact O-CG 3.4Å; E39-E43 PolarHBondContact O-N 3.28Å; E39-V68 HydrophobicContact CG-CG1 3.84Å; E39-L228 HydrophobicContact CG-CD2 4.04Å; E39-L228 WeakPolarHBondContact OE1-CD2 3.47Å; E39-R232 IonicContact OE1-CZ 3.81Å; E39-R232 IonicContact OE1-NH2 3.35Å; E39-R232 PolarHBondContact OE1-NH2 2.96Å; E39-R232 IonicContact OE2-NH2 3.35Å
40R98Very high95.3Very high29 Ų2947.9 Ų47.911%0.10924%0.244CC..Hα-helixtrans-62.7-40.3175.7-179.655176.1151.83.7112.5R36 I37 T38 E43 L44 D188 F199 Q212R36-R40 PolarHBondContact O-N 3.31Å; R36-R40 VanDerWaalsContact O-N 3.13Å; I37-R40 WeakPolarHBondContact O-CB 3.12Å; I37-R40 PolarHBondContact O-N 3.21Å; T38-R40 VanDerWaalsContact C-N 3.28Å; T38-R40 PolarHBondContact O-N 3.03Å; R40-E43 IonicContact NH1-OE2 3.2Å; R40-E43 PolarHBondContact NH1-OE2 3.47Å; R40-E43 PolarHBondContact O-N 3.15Å; R40-L44 HydrophobicContact CG-CD1 4.37Å; R40-L44 WeakPolarHBondContact O-CG 3.29Å; R40-L44 PolarHBondContact O-N 3.07Å; R40-L44 VanDerWaalsContact O-N 3.1Å; R40-D188 IonicContact CZ-OD1 4Å; R40-D188 IonicContact CZ-OD2 2.95Å; R40-D188 IonicContact NE-OD1 2.82Å; R40-D188 IonicContact NE-OD2 3.42Å; R40-D188 PolarHBondContact NE-OD2 3.47Å; R40-D188 IonicContact NH2-OD1 3.21Å; R40-D188 PolarHBondContact NH2-OD1 3.26Å; R40-D188 IonicContact NH2-OD2 3.57Å; R40-F199 HydrophobicContact CB-CE1 4.43Å; R40-F199 HydrophobicContact CB-CZ 4.02Å; R40-F199 HydrophobicContact CG-CE1 4.06Å; R40-F199 HydrophobicContact CG-CE2 3.91Å; R40-F199 HydrophobicContact CG-CZ 3.53Å; R40-Q212 PolarHBondContact NH2-O 3.42Å; R40-Q212 VanDerWaalsContact NH2-O 3.13Å
41A98.4Very high95.3Very high0 Ų052.1 Ų52.10%026%0.262CS..Hα-helixtrans-64.4-41.1176.900000112I37 T38 E39 L44 L45 I118 I120 V158 F199I37-A41 PolarHBondContact O-N 3.1Å; T38-A41 WeakPolarHBondContact O-CB 3.2Å; T38-A41 PolarHBondContact O-N 3.33Å; E39-A41 PolarHBondContact O-N 3.42Å; A41-L44 PolarHBondContact O-N 2.87Å; A41-L45 PolarHBondContact O-N 3.01Å; A41-I118 HydrophobicContact CB-CB 4.47Å; A41-I118 HydrophobicContact CB-CG2 4.09Å; A41-I120 HydrophobicContact CB-CD1 3.7Å; A41-V158 HydrophobicContact CB-CB 4.38Å; A41-V158 HydrophobicContact CB-CG1 3.84Å; A41-F199 HydrophobicContact CB-CE1 4.42Å
42L97.8Very high95.4Very high16 Ų1652.7 Ų52.78%0.08428%0.275CS..Hα-helixtrans-63.8-39.5175.1-70.1-179.7000112.4T38 E39 L44 L45 V68 I69 N72 I118T38-L42 WeakPolarHBondContact O-CG 3.22Å; T38-L42 PolarHBondContact O-N 2.92Å; E39-L42 PolarHBondContact O-N 3.49Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L42-L44 PolarHBondContact O-N 3.45Å; L42-L45 HydrophobicContact CD2-CD1 3.95Å; L42-L45 WeakPolarHBondContact O-CB 3.45Å; L42-L45 PolarHBondContact O-N 2.83Å; L42-V68 HydrophobicContact CD1-CG1 4.05Å; L42-I69 HydrophobicContact CD2-CG1 4.26Å; L42-N72 HydrophobicContact CD1-CB 4.04Å; L42-I118 HydrophobicContact CD2-CG2 4.37Å
43E96.8Very high95.5Very high77 Ų7749.9 Ų49.936%0.3626%0.26SS..Hα-helixtrans-59.3-42.9172-71.4-178.8165.400111.7E39 R40 L45 A46E39-E43 WeakPolarHBondContact O-CG 3.4Å; E39-E43 PolarHBondContact O-N 3.28Å; R40-E43 IonicContact NH1-OE2 3.2Å; R40-E43 PolarHBondContact NH1-OE2 3.47Å; R40-E43 PolarHBondContact O-N 3.15Å; E43-L45 VanDerWaalsContact C-N 3.33Å; E43-L45 PolarHBondContact O-N 3.47Å; E43-A46 PolarHBondContact O-N 2.88Å; E43-A46 VanDerWaalsContact O-N 3.15Å
44L97.1Very high95.7Very high1 Ų151.1 Ų51.11%0.00527%0.266CS..Hα-helixtrans-69.7-28.1-179.1-71.3174.5000113.1R40 A41 L42 A46 R156 V158 I186 F199 V201 P211R40-L44 HydrophobicContact CG-CD1 4.37Å; R40-L44 WeakPolarHBondContact O-CG 3.29Å; R40-L44 PolarHBondContact O-N 3.07Å; R40-L44 VanDerWaalsContact O-N 3.1Å; A41-L44 PolarHBondContact O-N 2.87Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L42-L44 PolarHBondContact O-N 3.45Å; L44-A46 PolarHBondContact O-N 2.76Å; L44-R156 PolarHBondContact O-NH1 3.45Å; L44-R156 VanDerWaalsContact O-NH1 3.16Å; L44-V158 HydrophobicContact CB-CG1 4.07Å; L44-V158 HydrophobicContact CB-CG2 3.76Å; L44-V158 HydrophobicContact CD1-CG1 4.06Å; L44-I186 HydrophobicContact CD2-CD1 3.79Å; L44-F199 HydrophobicContact CD1-CB 3.91Å; L44-F199 HydrophobicContact CD1-CD1 3.84Å; L44-F199 HydrophobicContact CD1-CD2 4.33Å; L44-F199 HydrophobicContact CD1-CE1 4.42Å; L44-F199 HydrophobicContact CD1-CG 3.78Å; L44-V201 HydrophobicContact CB-CG2 4.33Å; L44-V201 HydrophobicContact CD1-CG2 4.05Å; L44-P211 HydrophobicContact CD2-CB 3.5Å; L44-P211 HydrophobicContact CD2-CG 3.92Å
45L96.5Very high95.8Very high5 Ų550.3 Ų50.33%0.02626%0.262CS..Hα-helixtrans-60.4-26.3171.3-77.1-178000112.5A41 L42 E43 L47 I55 I118 R156 V158A41-L45 PolarHBondContact O-N 3.01Å; L42-L45 HydrophobicContact CD2-CD1 3.95Å; L42-L45 WeakPolarHBondContact O-CB 3.45Å; L42-L45 PolarHBondContact O-N 2.83Å; E43-L45 VanDerWaalsContact C-N 3.33Å; E43-L45 PolarHBondContact O-N 3.47Å; L45-L47 VanDerWaalsContact C-N 3.27Å; L45-L47 HydrophobicContact CB-CD1 4.34Å; L45-L47 HydrophobicContact CB-CD2 4.2Å; L45-L47 HydrophobicContact CB-CG 3.84Å; L45-L47 HydrophobicContact CD1-CD1 3.98Å; L45-L47 HydrophobicContact CD1-CD2 4.44Å; L45-L47 HydrophobicContact CD1-CG 4.27Å; L45-L47 PolarHBondContact O-N 3.48Å; L45-I55 HydrophobicContact CD1-CD1 4.24Å; L45-I55 HydrophobicContact CD1-CG2 4.42Å; L45-I118 HydrophobicContact CD1-CG2 3.62Å; L45-I118 HydrophobicContact CD2-CG2 4.5Å; L45-I118 HydrophobicContact CG-CG2 4.03Å; L45-R156 HydrophobicContact CD2-CB 3.75Å; L45-R156 WeakPolarHBondContact CD2-O 3.29Å; L45-R156 WeakPolarHBondContact O-CD 3.36Å; L45-V158 HydrophobicContact CD2-CB 4.41Å; L45-V158 HydrophobicContact CD2-CG2 3.83Å; L45-V158 HydrophobicContact CG-CG2 4.08Å
46A94.6Very high95.9Very high48 Ų4849.3 Ų49.340%0.39726%0.256SS..THydrogen-bonded Turntrans49.848.418000000112.7E43 L44 R156E43-A46 PolarHBondContact O-N 2.88Å; E43-A46 VanDerWaalsContact O-N 3.15Å; L44-A46 PolarHBondContact O-N 2.76Å; A46-R156 VanDerWaalsContact CB-NH1 3.31Å
47L94.5Very high96Very high32 Ų3243.5 Ų43.517%0.16823%0.234CC..  trans-66.7156.9177-60.6172.1000111.1L45 E49 C53 I55 H74L45-L47 VanDerWaalsContact C-N 3.27Å; L45-L47 HydrophobicContact CB-CD1 4.34Å; L45-L47 HydrophobicContact CB-CD2 4.2Å; L45-L47 HydrophobicContact CB-CG 3.84Å; L45-L47 HydrophobicContact CD1-CD1 3.98Å; L45-L47 HydrophobicContact CD1-CD2 4.44Å; L45-L47 HydrophobicContact CD1-CG 4.27Å; L45-L47 PolarHBondContact O-N 3.48Å; L47-E49 PolarHBondContact O-N 3.05Å; L47-C53 HydrophobicContact CD1-CB 4.33Å; L47-C53 HydrophobicContact CD2-CB 4.35Å; L47-I55 HydrophobicContact CD1-CD1 3.66Å; L47-I55 HydrophobicContact CD1-CG1 4.36Å; L47-I55 HydrophobicContact CD2-CD1 4.06Å; L47-H74 VanDerWaalsContact CD1-NE2 3.33Å; L47-H74 WeakPolarHBondContact CD1-NE2 3.24Å
48P92Very high96.1Very high66 Ų6643 Ų4343%0.42923%0.232SC..  trans-60.5130.2173.1-1931.5000111.9D50 E51P48-D50 PolarHBondContact O-N 3.34Å; P48-D50 VanDerWaalsContact O-N 3.15Å; P48-E51 HydrophobicContact CB-CB 4.24Å; P48-E51 HydrophobicContact CB-CG 4.4Å
49E86.2Confident96Very high191 Ų19143.7 Ų43.789%0.89324%0.238SC*.THydrogen-bonded Turntrans-64.3-20.5-174.1-66.1-176.4-178.300114.9L47L47-E49 PolarHBondContact O-N 3.05Å
50D88.4Confident96Very high140 Ų14042.2 Ų42.275%0.74923%0.232SC*.THydrogen-bonded Turntrans-116.913.9-170.6-72.6-37.5000113.2P48P48-D50 PolarHBondContact O-N 3.34Å; P48-D50 VanDerWaalsContact O-N 3.15Å
51E91.9Very high96Very high129 Ų12941.1 Ų41.160%0.60323%0.23SC*.SBendtrans-131.6132.5-176.3-62.5-178.3-176.900112.2P48 C53 H74P48-E51 HydrophobicContact CB-CB 4.24Å; P48-E51 HydrophobicContact CB-CG 4.4Å; E51-C53 PolarHBondContact O-N 3.08Å; E51-H74 PolarHBondContact O-CE1 3.1Å
52A96.7Very high95.9Very high63 Ų6341.2 Ų41.252%0.52123%0.23SC..  trans-73118.9169.200000108.9G73A52-G73 WeakPolarHBondContact CA-O 3.48Å; A52-G73 VanDerWaalsContact CB-O 3.28Å; A52-G73 WeakPolarHBondContact CB-O 3.5Å
53C98.1Very high95.9Very high6 Ų640.4 Ų40.44%0.04123%0.226CC..  trans-100.7157.2-179.5-66.40000110.7L47 E51 I55 H74 H75 D115L47-C53 HydrophobicContact CD1-CB 4.33Å; L47-C53 HydrophobicContact CD2-CB 4.35Å; E51-C53 PolarHBondContact O-N 3.08Å; C53-I55 HydrophobicContact CB-CD1 3.86Å; C53-I55 HydrophobicContact CB-CG1 4.45Å; C53-H74 PolarHBondContact N-ND1 3.01Å; C53-H75 PolarHBondContact O-N 2.92Å; C53-D115 HydrophobicContact CB-CB 3.92Å
54M98.5Very high95.9Very high66 Ų6637.1 Ų37.133%0.32521%0.211SC..EExtended strand (participates in β ladder)trans-94.9113.8170.1-174.26070.100110H75 V77 F114 D115M54-H75 HydrophobicContact CE-CB 3.67Å; M54-H75 HydrophobicContact SD-CB 3.83Å; M54-V77 HydrophobicContact SD-CG2 4.4Å; M54-F114 HydrophobicContact CG-CD1 3.75Å; M54-F114 HydrophobicContact CG-CE1 4.08Å; M54-F114 CarbonylContact O-C 3.53Å; M54-F114 WeakPolarHBondContact O-CA 3.38Å; M54-D115 PolarHBondContact N-OD2 3.39Å; M54-D115 PolarHBondContact O-N 3.24Å
55I98.7Very high96Very high0 Ų037.5 Ų37.50%021%0.214CC..EExtended strand (participates in β ladder)trans-110.9134.2-173.4-51.9-57.4000110.9L45 L47 C53 I69 H74 H75 W76 V77 G116L45-I55 HydrophobicContact CD1-CD1 4.24Å; L45-I55 HydrophobicContact CD1-CG2 4.42Å; L47-I55 HydrophobicContact CD1-CD1 3.66Å; L47-I55 HydrophobicContact CD1-CG1 4.36Å; L47-I55 HydrophobicContact CD2-CD1 4.06Å; C53-I55 HydrophobicContact CB-CD1 3.86Å; C53-I55 HydrophobicContact CB-CG1 4.45Å; I55-I69 HydrophobicContact CB-CD1 4.33Å; I55-I69 HydrophobicContact CB-CG2 4.06Å; I55-I69 HydrophobicContact CG1-CG2 4.06Å; I55-I69 HydrophobicContact CG2-CD1 3.93Å; I55-H74 HydrophobicContact CG1-CB 4.09Å; I55-H75 PolarHBondContact N-O 3.2Å; I55-W76 HydrophobicContact CB-CB 4.42Å; I55-W76 WeakPolarHBondContact O-CA 3.38Å; I55-W76 VanDerWaalsContact O-CB 3.23Å; I55-W76 WeakPolarHBondContact O-CB 3.33Å; I55-V77 PolarHBondContact O-N 3.38Å; I55-V77 VanDerWaalsContact O-N 3.09Å; I55-G116 WeakPolarHBondContact CA-O 3.4Å
56L98.8Very high96.1Very high0 Ų037.2 Ų37.20%021%0.212CC..EExtended strand (participates in β ladder)trans-88.7121.8170.2179.563.3000109.8I58 V77 V79 L107 F109 F114 G116 A117 I118 L147L56-I58 HydrophobicContact CD2-CD1 3.93Å; L56-I58 HydrophobicContact CD2-CG1 3.76Å; L56-I58 HydrophobicContact CG-CD1 4.29Å; L56-I58 HydrophobicContact CG-CG1 3.67Å; L56-V77 WeakPolarHBondContact CD1-O 3.33Å; L56-V79 HydrophobicContact CD1-CG2 3.98Å; L56-L107 HydrophobicContact CD2-CD1 3.67Å; L56-L107 HydrophobicContact CD2-CD2 4.44Å; L56-F109 HydrophobicContact CD1-CD2 4.14Å; L56-F109 HydrophobicContact CD1-CE2 3.39Å; L56-F109 HydrophobicContact CD1-CZ 3.85Å; L56-F109 HydrophobicContact CD2-CD2 4.27Å; L56-F109 HydrophobicContact CD2-CE2 4.16Å; L56-F109 HydrophobicContact CG-CE2 4.45Å; L56-F114 HydrophobicContact CB-CB 4.33Å; L56-F114 HydrophobicContact CB-CD1 3.65Å; L56-F114 HydrophobicContact CB-CD2 4.09Å; L56-F114 HydrophobicContact CB-CE1 3.89Å; L56-F114 HydrophobicContact CB-CE2 4.3Å; L56-F114 HydrophobicContact CB-CG 3.76Å; L56-F114 HydrophobicContact CB-CZ 4.21Å; L56-F114 HydrophobicContact CD1-CE1 4.13Å; L56-F114 HydrophobicContact CD1-CE2 4.2Å; L56-F114 HydrophobicContact CD1-CZ 3.84Å; L56-F114 HydrophobicContact CD2-CD2 4.41Å; L56-F114 HydrophobicContact CD2-CE2 4.36Å; L56-F114 HydrophobicContact CG-CZ 4.48Å; L56-G116 PolarHBondContact N-O 2.9Å; L56-A117 HydrophobicContact CB-CB 4.01Å; L56-A117 CarbonylContact O-C 3.5Å; L56-A117 VanDerWaalsContact O-CA 3.24Å; L56-A117 WeakPolarHBondContact O-CA 3.36Å; L56-I118 PolarHBondContact O-N 3.09Å; L56-L147 HydrophobicContact CD2-CD1 3.83Å
57D98.8Very high96.2Very high0 Ų038 Ų380%021%0.207CC..EExtended strand (participates in β ladder)trans-99105.6173.5-168.59.7000110.3C60 S65 G66 I69 W76 V77 G78 V79D57-C60 HydrophobicContact CB-CB 3.95Å; D57-C60 WeakPolarHBondContact OD2-CB 3.43Å; D57-S65 VanDerWaalsContact CG-OG 3.29Å; D57-S65 PolarHBondContact OD1-OG 2.84Å; D57-S65 WeakPolarHBondContact OD2-CB 3.42Å; D57-S65 PolarHBondContact OD2-OG 2.72Å; D57-G66 PolarHBondContact OD2-N 3.47Å; D57-G66 VanDerWaalsContact OD2-N 3.13Å; D57-I69 HydrophobicContact CB-CD1 3.98Å; D57-W76 HydrophobicContact CB-CE3 3.95Å; D57-W76 HydrophobicContact CB-CZ3 4.48Å; D57-V77 PolarHBondContact N-O 2.99Å; D57-G78 CarbonylContact O-C 3.58Å; D57-G78 WeakPolarHBondContact O-CA 3.41Å; D57-V79 PolarHBondContact O-N 3.15Å
58I98.8Very high96.4Very high0 Ų036.5 Ų36.50%020%0.2CC..EExtended strand (participates in β ladder)trans-96.7115.4-170-58.8173.7000109.6L56 L103 A117 I118 S119 F143 L147 F159L56-I58 HydrophobicContact CD2-CD1 3.93Å; L56-I58 HydrophobicContact CD2-CG1 3.76Å; L56-I58 HydrophobicContact CG-CD1 4.29Å; L56-I58 HydrophobicContact CG-CG1 3.67Å; I58-L103 HydrophobicContact CG2-CD1 3.41Å; I58-L103 VanDerWaalsContact CG2-CD1 3.41Å; I58-L103 HydrophobicContact CG2-CD2 3.66Å; I58-L103 HydrophobicContact CG2-CG 4.16Å; I58-A117 HydrophobicContact CD1-CB 3.98Å; I58-I118 WeakPolarHBondContact CB-O 3.34Å; I58-I118 PolarHBondContact N-O 2.73Å; I58-S119 VanDerWaalsContact O-CA 3.3Å; I58-S119 WeakPolarHBondContact O-CA 3.46Å; I58-S119 VanDerWaalsContact O-CB 3.31Å; I58-S119 WeakPolarHBondContact O-CB 3.27Å; I58-S119 PolarHBondContact O-OG 3.11Å; I58-F143 HydrophobicContact CD1-CE2 4.12Å; I58-F143 HydrophobicContact CD1-CZ 3.93Å; I58-F143 HydrophobicContact CG2-CE2 3.72Å; I58-F143 HydrophobicContact CG2-CZ 3.83Å; I58-L147 HydrophobicContact CD1-CD1 3.67Å; I58-L147 HydrophobicContact CD1-CD2 4.08Å; I58-L147 HydrophobicContact CD1-CG 4.48Å; I58-F159 HydrophobicContact CD1-CE1 4.08Å
59G98Very high96.7Very high13 Ų1333.4 Ų33.413%0.13418%0.18CC..THydrogen-bonded Turntrans72.249.9-167.500000110.7G61 V79 D80G59-G61 PolarHBondContact O-N 2.81Å; G59-V79 WeakPolarHBondContact CA-O 3.31Å; G59-V79 PolarHBondContact N-O 3.19Å; G59-D80 VanDerWaalsContact CA-OD2 3.29Å; G59-D80 WeakPolarHBondContact CA-OD2 3.32Å
60C98.2Very high97.2Very high4 Ų425.7 Ų25.73%0.02715%0.146CC..  trans-68.7-15.6-17268.40000113.4D57 S62 G63 W76 G78 V79 D80D57-C60 HydrophobicContact CB-CB 3.95Å; D57-C60 WeakPolarHBondContact OD2-CB 3.43Å; C60-S62 PolarHBondContact O-N 3.25Å; C60-G63 WeakPolarHBondContact O-CA 3.45Å; C60-G63 PolarHBondContact O-N 3.41Å; C60-W76 HydrophobicContact CB-CZ3 4.31Å; C60-G78 VanDerWaalsContact SG-CA 3.54Å; C60-V79 PolarHBondContact N-O 3.1Å; C60-V79 VanDerWaalsContact N-O 3.12Å; C60-D80 PolarHBondContact N-OD2 2.91Å
61G97.2Very high97.6Very high6 Ų623 Ų236%0.06213%0.128CC..THydrogen-bonded Turntrans52-124.6178.200000112.6G59 G63 D80 M85G59-G61 PolarHBondContact O-N 2.81Å; G61-G63 PolarHBondContact O-N 2.91Å; G61-D80 VanDerWaalsContact CA-OD2 3.29Å; G61-D80 WeakPolarHBondContact CA-OD2 3.42Å; G61-D80 PolarHBondContact N-OD2 3.36Å; G61-M85 CarbonylContact O-C 3.5Å
62S96.9Very high97.8Very high2 Ų220.1 Ų20.11%0.01412%0.118CC..THydrogen-bonded Turntrans-81.713.1178.857.30000114.6S25 C60 L64 M85 A89S25-S62 WeakPolarHBondContact OG-CB 3.28Å; S25-S62 PolarHBondContact OG-OG 2.79Å; C60-S62 PolarHBondContact O-N 3.25Å; S62-L64 VanDerWaalsContact C-N 3.35Å; S62-L64 PolarHBondContact O-N 3.37Å; S62-M85 WeakPolarHBondContact CA-O 3.45Å; S62-A89 VanDerWaalsContact C-CB 3.47Å; S62-A89 WeakPolarHBondContact O-CA 3.49Å
63G97.4Very high97.7Very high0 Ų019.3 Ų19.30%012%0.115CC..SBendtrans79.411175.300000115C60 G61 S65 G66 E67C60-G63 WeakPolarHBondContact O-CA 3.45Å; C60-G63 PolarHBondContact O-N 3.41Å; G61-G63 PolarHBondContact O-N 2.91Å; G63-S65 PolarHBondContact O-N 2.92Å; G63-G66 PolarHBondContact O-N 3.27Å; G63-E67 PolarHBondContact O-N 3.44Å
64L97.3Very high97.8Very high8 Ų820.3 Ų20.34%0.04212%0.119CC..Hα-helixtrans-57.1-45.7178.8-77.7173.5000113Y24 I31 Q34 S62 V68Y24-L64 HydrophobicContact CD1-CD1 4.39Å; Y24-L64 HydrophobicContact CE1-CD1 3.88Å; I31-L64 HydrophobicContact CB-CD2 4.43Å; I31-L64 HydrophobicContact CG1-CD1 4.31Å; I31-L64 HydrophobicContact CG1-CD2 4.02Å; I31-L64 HydrophobicContact CG2-CD2 4.03Å; Q34-L64 HydrophobicContact CB-CD1 4.28Å; Q34-L64 HydrophobicContact CG-CD1 4.32Å; S62-L64 VanDerWaalsContact C-N 3.35Å; S62-L64 PolarHBondContact O-N 3.37Å; L64-V68 WeakPolarHBondContact O-CG2 3.48Å; L64-V68 PolarHBondContact O-N 3.38Å
65S98Very high97.8Very high8 Ų822.6 Ų22.66%0.05613%0.129CC..Hα-helixtrans-67.7-43.5175.537.60000111.1T38 D57 G63 E67 V68 I69T38-S65 WeakPolarHBondContact OG1-CB 3.07Å; D57-S65 VanDerWaalsContact CG-OG 3.29Å; D57-S65 PolarHBondContact OD1-OG 2.84Å; D57-S65 WeakPolarHBondContact OD2-CB 3.42Å; D57-S65 PolarHBondContact OD2-OG 2.72Å; G63-S65 PolarHBondContact O-N 2.92Å; S65-E67 PolarHBondContact O-N 2.98Å; S65-V68 WeakPolarHBondContact O-CA 3.41Å; S65-V68 WeakPolarHBondContact O-CB 3.25Å; S65-V68 PolarHBondContact O-N 3.12Å; S65-I69 WeakPolarHBondContact O-CG1 3.49Å; S65-I69 PolarHBondContact O-N 3.12Å
66G98.2Very high97.8Very high0 Ų023 Ų230%013%0.131CC..Hα-helixtrans-54.9-44.4175.500000114.2D57 G63 V68 I69 T70 W76D57-G66 PolarHBondContact OD2-N 3.47Å; D57-G66 VanDerWaalsContact OD2-N 3.13Å; G63-G66 PolarHBondContact O-N 3.27Å; G66-V68 VanDerWaalsContact C-N 3.31Å; G66-V68 PolarHBondContact O-N 2.99Å; G66-I69 WeakPolarHBondContact O-CB 3.38Å; G66-I69 PolarHBondContact O-N 3.42Å; G66-I69 VanDerWaalsContact O-N 3.09Å; G66-T70 PolarHBondContact O-N 2.94Å; G66-T70 PolarHBondContact O-OG1 3.33Å; G66-W76 VanDerWaalsContact C-CE2 3.45Å; G66-W76 PolarHBondContact O-NE1 2.89Å
67E97.6Very high97.7Very high63 Ų6324.2 Ų24.229%0.29414%0.138SC..Hα-helixtrans-56.8-45.9173.2-75.2175.3-169.600110.9G63 S65 I69 T70 E71 R92 V94G63-E67 PolarHBondContact O-N 3.44Å; S65-E67 PolarHBondContact O-N 2.98Å; E67-I69 VanDerWaalsContact C-N 3.29Å; E67-I69 PolarHBondContact O-N 2.91Å; E67-T70 WeakPolarHBondContact O-CB 3.47Å; E67-T70 PolarHBondContact O-N 2.85Å; E67-T70 VanDerWaalsContact O-N 3.15Å; E67-E71 VanDerWaalsContact O-CG 3.25Å; E67-E71 WeakPolarHBondContact O-CG 3.45Å; E67-E71 PolarHBondContact O-N 3.36Å; E67-R92 IonicContact OE1-CZ 2.76Å; E67-R92 VanDerWaalsContact OE1-CZ 3.29Å; E67-R92 IonicContact OE1-NE 3.29Å; E67-R92 PolarHBondContact OE1-NE 2.88Å; E67-R92 IonicContact OE1-NH2 2.98Å; E67-R92 PolarHBondContact OE1-NH2 2.93Å; E67-R92 IonicContact OE2-CZ 3.25Å; E67-R92 IonicContact OE2-NH2 3.87Å; E67-R92 PolarHBondContact OE2-NH2 3.3Å; E67-V94 HydrophobicContact CG-CG1 4.08Å
68V98Very high97.7Very high2 Ų224.2 Ų24.21%0.01214%0.138CC..Hα-helixtrans-62.1-36176.9179.10000111.9T35 T38 E39 L42 L64 S65 G66 E71 N72T35-V68 HydrophobicContact CG2-CG2 3.87Å; T38-V68 HydrophobicContact CG2-CB 3.7Å; T38-V68 HydrophobicContact CG2-CG1 3.73Å; T38-V68 HydrophobicContact CG2-CG2 4.4Å; E39-V68 HydrophobicContact CG-CG1 3.84Å; L42-V68 HydrophobicContact CD1-CG1 4.05Å; L64-V68 WeakPolarHBondContact O-CG2 3.48Å; L64-V68 PolarHBondContact O-N 3.38Å; S65-V68 WeakPolarHBondContact O-CA 3.41Å; S65-V68 WeakPolarHBondContact O-CB 3.25Å; S65-V68 PolarHBondContact O-N 3.12Å; G66-V68 VanDerWaalsContact C-N 3.31Å; G66-V68 PolarHBondContact O-N 2.99Å; V68-E71 PolarHBondContact O-N 3.18Å; V68-N72 PolarHBondContact O-N 2.83Å; V68-N72 VanDerWaalsContact O-N 3.14Å; V68-N72 PolarHBondContact O-ND2 2.87Å
69I98.4Very high97.7Very high0 Ų024.3 Ų24.30%014%0.138CC..Hα-helixtrans-61.5-50.1173.5-58.8170.4000110.3L42 I55 D57 S65 G66 E67 E71 N72 G73 H74 W76 I118L42-I69 HydrophobicContact CD2-CG1 4.26Å; I55-I69 HydrophobicContact CB-CD1 4.33Å; I55-I69 HydrophobicContact CB-CG2 4.06Å; I55-I69 HydrophobicContact CG1-CG2 4.06Å; I55-I69 HydrophobicContact CG2-CD1 3.93Å; D57-I69 HydrophobicContact CB-CD1 3.98Å; S65-I69 WeakPolarHBondContact O-CG1 3.49Å; S65-I69 PolarHBondContact O-N 3.12Å; G66-I69 WeakPolarHBondContact O-CB 3.38Å; G66-I69 PolarHBondContact O-N 3.42Å; G66-I69 VanDerWaalsContact O-N 3.09Å; E67-I69 VanDerWaalsContact C-N 3.29Å; E67-I69 PolarHBondContact O-N 2.91Å; I69-E71 VanDerWaalsContact C-N 3.3Å; I69-E71 PolarHBondContact O-N 3Å; I69-N72 PolarHBondContact O-N 2.95Å; I69-G73 PolarHBondContact O-N 3.39Å; I69-H74 HydrophobicContact CG2-CB 3.58Å; I69-H74 PolarHBondContact O-N 3.06Å; I69-W76 HydrophobicContact CB-CB 4.41Å; I69-W76 HydrophobicContact CB-CG 4.24Å; I69-W76 HydrophobicContact CD1-CB 3.87Å; I69-W76 HydrophobicContact CD1-CG 4.09Å; I69-W76 HydrophobicContact CG2-CB 3.98Å; I69-W76 HydrophobicContact CG2-CG 4.23Å; I69-I118 HydrophobicContact CD1-CD1 3.75Å; I69-I118 HydrophobicContact CD1-CG1 4.13Å; I69-I118 HydrophobicContact CG1-CD1 3.96Å
70T97.9Very high97.8Very high29 Ų2924.6 Ų24.618%0.17814%0.137CC..Hα-helixtrans-56.6-45175.2-70.40000111.3G66 E67 N72 G73 W76 E95G66-T70 PolarHBondContact O-N 2.94Å; G66-T70 PolarHBondContact O-OG1 3.33Å; E67-T70 WeakPolarHBondContact O-CB 3.47Å; E67-T70 PolarHBondContact O-N 2.85Å; E67-T70 VanDerWaalsContact O-N 3.15Å; T70-N72 PolarHBondContact O-N 3.44Å; T70-G73 PolarHBondContact O-N 3.19Å; T70-W76 PolarHBondContact OG1-NE1 3.3Å; T70-E95 HydrophobicContact CG2-CB 4.29Å; T70-E95 HydrophobicContact CG2-CG 4.1Å; T70-E95 WeakPolarHBondContact CG2-OE1 3.47Å; T70-E95 VanDerWaalsContact CG2-OE2 3.3Å; T70-E95 WeakPolarHBondContact CG2-OE2 3.36Å
71E95.7Very high97.7Very high83 Ų8326.1 Ų26.139%0.38814%0.144SC..Hα-helixtrans-61.9-29.8-179.2-71.6-164.3134.100113.1E67 V68 I69 G73 R235E67-E71 VanDerWaalsContact O-CG 3.25Å; E67-E71 WeakPolarHBondContact O-CG 3.45Å; E67-E71 PolarHBondContact O-N 3.36Å; V68-E71 PolarHBondContact O-N 3.18Å; I69-E71 VanDerWaalsContact C-N 3.3Å; I69-E71 PolarHBondContact O-N 3Å; E71-G73 VanDerWaalsContact C-N 3.29Å; E71-R235 PolarHBondContact O-NH2 3.31Å; E71-R235 VanDerWaalsContact O-NH2 3.08Å; E71-R235 IonicContact OE1-NH1 3.22Å; E71-R235 PolarHBondContact OE1-NH1 3.18Å
72N96Very high97.7Very high70 Ų7025.9 Ų25.937%0.37414%0.142SC..THydrogen-bonded Turntrans-84.94.1174.7-77.7-85.8000113.6L42 V68 I69 T70L42-N72 HydrophobicContact CD1-CB 4.04Å; V68-N72 PolarHBondContact O-N 2.83Å; V68-N72 VanDerWaalsContact O-N 3.14Å; V68-N72 PolarHBondContact O-ND2 2.87Å; I69-N72 PolarHBondContact O-N 2.95Å; T70-N72 PolarHBondContact O-N 3.44Å
73G96.4Very high97.8Very high46 Ų4631.6 Ų31.647%0.47417%0.166SC..THydrogen-bonded Turntrans83.923.9172.400000114.4A52 I69 T70 E71A52-G73 WeakPolarHBondContact CA-O 3.48Å; A52-G73 VanDerWaalsContact CB-O 3.28Å; A52-G73 WeakPolarHBondContact CB-O 3.5Å; I69-G73 PolarHBondContact O-N 3.39Å; T70-G73 PolarHBondContact O-N 3.19Å; E71-G73 VanDerWaalsContact C-N 3.29Å
74H98.2Very high97.8Very high27 Ų2733.7 Ų33.713%0.12518%0.177CC..  trans-111.9157.1177.3-59.5-39.6000111.1L47 E51 C53 I55 I69L47-H74 VanDerWaalsContact CD1-NE2 3.33Å; L47-H74 WeakPolarHBondContact CD1-NE2 3.24Å; E51-H74 PolarHBondContact O-CE1 3.1Å; C53-H74 PolarHBondContact N-ND1 3.01Å; I55-H74 HydrophobicContact CG1-CB 4.09Å; I69-H74 HydrophobicContact CG2-CB 3.58Å; I69-H74 PolarHBondContact O-N 3.06Å
75H98.5Very high97.9Very high113 Ų11333.7 Ų33.752%0.52318%0.177SC..EExtended strand (participates in β ladder)trans-94.5153.6172.6-59.9-65.2000109.5C53 M54 I55C53-H75 PolarHBondContact O-N 2.92Å; M54-H75 HydrophobicContact CE-CB 3.67Å; M54-H75 HydrophobicContact SD-CB 3.83Å; I55-H75 PolarHBondContact N-O 3.2Å
76W98.7Very high97.9Very high10 Ų1033.9 Ų33.94%0.03818%0.178CC..EExtended strand (participates in β ladder)trans-149.4155.9179.462.7-79.5000114.5I55 D57 C60 G66 I69 T70 V94 G96 S97 L98I55-W76 HydrophobicContact CB-CB 4.42Å; I55-W76 WeakPolarHBondContact O-CA 3.38Å; I55-W76 VanDerWaalsContact O-CB 3.23Å; I55-W76 WeakPolarHBondContact O-CB 3.33Å; D57-W76 HydrophobicContact CB-CE3 3.95Å; D57-W76 HydrophobicContact CB-CZ3 4.48Å; C60-W76 HydrophobicContact CB-CZ3 4.31Å; G66-W76 VanDerWaalsContact C-CE2 3.45Å; G66-W76 PolarHBondContact O-NE1 2.89Å; I69-W76 HydrophobicContact CB-CB 4.41Å; I69-W76 HydrophobicContact CB-CG 4.24Å; I69-W76 HydrophobicContact CD1-CB 3.87Å; I69-W76 HydrophobicContact CD1-CG 4.09Å; I69-W76 HydrophobicContact CG2-CB 3.98Å; I69-W76 HydrophobicContact CG2-CG 4.23Å; T70-W76 PolarHBondContact OG1-NE1 3.3Å; W76-V94 HydrophobicContact CH2-CB 4.26Å; W76-V94 HydrophobicContact CH2-CG2 3.99Å; W76-V94 HydrophobicContact CZ2-CB 4Å; W76-V94 HydrophobicContact CZ2-CG2 4.15Å; W76-G96 VanDerWaalsContact CE2-CA 3.44Å; W76-G96 WeakPolarHBondContact O-CA 3.23Å; W76-S97 PolarHBondContact O-N 3.21Å; W76-L98 HydrophobicContact CH2-CD2 3.93Å; W76-L98 HydrophobicContact CZ3-CD2 3.92Å
77V98.8Very high97.9Very high25 Ų2537.5 Ų37.515%0.15220%0.195CC..EExtended strand (participates in β ladder)trans-121129.2167.5-177.90000107.2M54 I55 L56 D57 S97 V99 F109 F114M54-V77 HydrophobicContact SD-CG2 4.4Å; I55-V77 PolarHBondContact O-N 3.38Å; I55-V77 VanDerWaalsContact O-N 3.09Å; L56-V77 WeakPolarHBondContact CD1-O 3.33Å; D57-V77 PolarHBondContact N-O 2.99Å; V77-S97 CarbonylContact C-O 3.42Å; V77-S97 WeakPolarHBondContact CA-O 3.5Å; V77-V99 HydrophobicContact CG1-CG2 4Å; V77-F109 HydrophobicContact CG1-CE1 3.92Å; V77-F109 HydrophobicContact CG1-CZ 3.9Å; V77-F114 HydrophobicContact CB-CE1 3.87Å; V77-F114 HydrophobicContact CB-CZ 4.1Å; V77-F114 HydrophobicContact CG2-CE1 3.93Å; V77-F114 HydrophobicContact CG2-CZ 4.26Å
78G98.6Very high97.9Very high0 Ų035.2 Ų35.20%019%0.185CC..EExtended strand (participates in β ladder)trans-99.7140.7177.800000112.1D57 C60 S97 V99D57-G78 CarbonylContact O-C 3.58Å; D57-G78 WeakPolarHBondContact O-CA 3.41Å; C60-G78 VanDerWaalsContact SG-CA 3.54Å; G78-S97 PolarHBondContact N-O 3.31Å; G78-V99 PolarHBondContact O-N 3.2Å
79V98.7Very high97.9Very high1 Ų135.1 Ų35.11%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-122.5130.7168.3-169.80000109.3L56 D57 G59 C60 V99 L103 L107 F109L56-V79 HydrophobicContact CD1-CG2 3.98Å; D57-V79 PolarHBondContact O-N 3.15Å; G59-V79 WeakPolarHBondContact CA-O 3.31Å; G59-V79 PolarHBondContact N-O 3.19Å; C60-V79 PolarHBondContact N-O 3.1Å; C60-V79 VanDerWaalsContact N-O 3.12Å; V79-V99 VanDerWaalsContact CA-O 3.31Å; V79-V99 WeakPolarHBondContact CA-O 3.07Å; V79-V99 HydrophobicContact CG2-CB 4.24Å; V79-L103 HydrophobicContact CB-CD2 4.22Å; V79-L103 HydrophobicContact CG1-CD2 3.96Å; V79-L107 HydrophobicContact CG2-CD2 4.33Å; V79-F109 HydrophobicContact CG2-CE2 3.53Å; V79-F109 HydrophobicContact CG2-CZ 3.46Å; V79-F109 VanDerWaalsContact CG2-CZ 3.46Å
80D98.5Very high97.8Very high19 Ų1940.4 Ų40.410%0.10221%0.212CC..EExtended strand (participates in β ladder)trans-143.5156.8170.5-153.8-75.1000110.9G59 C60 G61 S82 L86 V99 L100 G101G59-D80 VanDerWaalsContact CA-OD2 3.29Å; G59-D80 WeakPolarHBondContact CA-OD2 3.32Å; C60-D80 PolarHBondContact N-OD2 2.91Å; G61-D80 VanDerWaalsContact CA-OD2 3.29Å; G61-D80 WeakPolarHBondContact CA-OD2 3.42Å; G61-D80 PolarHBondContact N-OD2 3.36Å; D80-S82 PolarHBondContact OD1-N 2.81Å; D80-L86 HydrophobicContact CB-CD1 4.36Å; D80-L86 HydrophobicContact CB-CD2 3.74Å; D80-L86 HydrophobicContact CB-CG 4.01Å; D80-V99 PolarHBondContact N-O 3.1Å; D80-V99 VanDerWaalsContact N-O 3.14Å; D80-L100 CarbonylContact O-C 3.53Å; D80-L100 WeakPolarHBondContact O-CA 3.37Å; D80-G101 CarbonylContact C-O 3.57Å; D80-G101 PolarHBondContact O-N 3.36Å
81I97.5Very high97.7Very high37 Ų3745.1 Ų45.119%0.1924%0.236CC..SBendtrans-89.2-25.5177.2-163.3176.5000111.9P12 E13 K83 L100 G101 D102P12-I81 HydrophobicContact CB-CG2 3.87Å; P12-I81 HydrophobicContact CG-CD1 4.49Å; P12-I81 HydrophobicContact CG-CG2 3.72Å; E13-I81 HydrophobicContact CB-CG1 4.27Å; I81-K83 PolarHBondContact O-N 3.23Å; I81-L100 WeakPolarHBondContact O-CD1 3.42Å; I81-G101 PolarHBondContact N-O 3.27Å; I81-D102 HydrophobicContact CD1-CB 3.85Å; I81-D102 HydrophobicContact CG1-CB 4.24Å
82S97.5Very high97.7Very high1 Ų144.5 Ų44.51%0.00723%0.23CC..  trans-82.7110.6178.7170.80000110.5Y16 D80 D84 M85 L86Y16-S82 PolarHBondContact O-OG 3.35Å; D80-S82 PolarHBondContact OD1-N 2.81Å; S82-D84 VanDerWaalsContact C-N 3.28Å; S82-D84 PolarHBondContact O-N 2.8Å; S82-D84 PolarHBondContact OG-N 3.14Å; S82-M85 PolarHBondContact O-N 3.22Å; S82-M85 WeakPolarHBondContact OG-CG 3.21Å; S82-M85 PolarHBondContact OG-N 3.42Å; S82-L86 WeakPolarHBondContact O-CG 3.44Å; S82-L86 PolarHBondContact O-N 3.13Å
83K97.9Very high97.7Very high122 Ų12249.5 Ų49.553%0.5325%0.251SS..Hα-helixtrans-58.4-42.5172-173.1179.5-178.4-96.10111.4I81 M85 L86 E87 L100I81-K83 PolarHBondContact O-N 3.23Å; K83-M85 VanDerWaalsContact C-N 3.34Å; K83-M85 PolarHBondContact O-N 3.47Å; K83-L86 PolarHBondContact O-N 3.21Å; K83-E87 WeakPolarHBondContact CE-OE1 3.44Å; K83-E87 IonicContact NZ-OE1 3.83Å; K83-E87 PolarHBondContact NZ-OE1 3.09Å; K83-E87 WeakPolarHBondContact O-CG 3.25Å; K83-E87 PolarHBondContact O-N 2.95Å; K83-L100 HydrophobicContact CB-CD1 4.25Å
84D98Very high97.7Very high44 Ų4448.4 Ų48.424%0.23524%0.235CC..Hα-helixtrans-66.6-35.6-177.2-65.3-17.2000111.8N17 S18 A21 S82 E87 V88N17-D84 VanDerWaalsContact C-OD2 3.24Å; N17-D84 WeakPolarHBondContact CA-OD2 3.41Å; S18-D84 VanDerWaalsContact N-CG 3.33Å; S18-D84 PolarHBondContact N-OD2 2.84Å; A21-D84 HydrophobicContact CB-CB 4.47Å; S82-D84 VanDerWaalsContact C-N 3.28Å; S82-D84 PolarHBondContact O-N 2.8Å; S82-D84 PolarHBondContact OG-N 3.14Å; D84-E87 PolarHBondContact O-N 2.93Å; D84-V88 WeakPolarHBondContact O-CG2 3.46Å; D84-V88 PolarHBondContact O-N 3.27Å; D84-V88 VanDerWaalsContact O-N 3.14Å
85M98.1Very high97.6Very high8 Ų854.6 Ų54.64%0.03926%0.264CS..Hα-helixtrans-66.3-42172.5-72.4-73.1-82.300111.8Y16 A21 Y24 G61 S62 S82 K83 E87 V88 A89Y16-M85 HydrophobicContact CD1-CE 4.28Å; Y16-M85 HydrophobicContact CD1-CG 4.45Å; Y16-M85 HydrophobicContact CD1-SD 4.1Å; Y16-M85 HydrophobicContact CG-CG 4.17Å; Y16-M85 HydrophobicContact CG-SD 4.41Å; A21-M85 VanDerWaalsContact CA-SD 3.58Å; A21-M85 HydrophobicContact CB-CG 4.03Å; A21-M85 HydrophobicContact CB-SD 3.45Å; A21-M85 WeakPolarHBondContact CB-SD 3.26Å; Y24-M85 HydrophobicContact CD1-CE 3.95Å; Y24-M85 HydrophobicContact CE1-CE 4.17Å; G61-M85 CarbonylContact O-C 3.5Å; S62-M85 WeakPolarHBondContact CA-O 3.45Å; S82-M85 PolarHBondContact O-N 3.22Å; S82-M85 WeakPolarHBondContact OG-CG 3.21Å; S82-M85 PolarHBondContact OG-N 3.42Å; K83-M85 VanDerWaalsContact C-N 3.34Å; K83-M85 PolarHBondContact O-N 3.47Å; M85-E87 VanDerWaalsContact C-N 3.34Å; M85-V88 PolarHBondContact O-N 2.94Å; M85-A89 PolarHBondContact O-N 3.05Å
86L98.5Very high97.6Very high12 Ų1249.8 Ų49.86%0.06325%0.245CC..Hα-helixtrans-66.4-34.9176.3-65.3178.6000112.4D80 S82 K83 V88 A89 L90 L98 L100D80-L86 HydrophobicContact CB-CD1 4.36Å; D80-L86 HydrophobicContact CB-CD2 3.74Å; D80-L86 HydrophobicContact CB-CG 4.01Å; S82-L86 WeakPolarHBondContact O-CG 3.44Å; S82-L86 PolarHBondContact O-N 3.13Å; K83-L86 PolarHBondContact O-N 3.21Å; L86-V88 VanDerWaalsContact C-N 3.34Å; L86-A89 WeakPolarHBondContact O-CB 3.39Å; L86-A89 PolarHBondContact O-N 3.33Å; L86-L90 WeakPolarHBondContact O-CG 3.33Å; L86-L90 PolarHBondContact O-N 3.21Å; L86-L98 HydrophobicContact CD2-CB 4.25Å; L86-L98 HydrophobicContact CD2-CD1 4.46Å; L86-L98 HydrophobicContact CD2-CD2 4.12Å; L86-L100 HydrophobicContact CD1-CB 3.92Å; L86-L100 HydrophobicContact CD1-CD1 3.98Å
87E98Very high97.5Very high76 Ų7653.1 Ų53.136%0.35527%0.27SS..Hα-helixtrans-61.3-43.3172.2-75.3178.1-174.800111K83 D84 M85 A89 L90 D91K83-E87 WeakPolarHBondContact CE-OE1 3.44Å; K83-E87 IonicContact NZ-OE1 3.83Å; K83-E87 PolarHBondContact NZ-OE1 3.09Å; K83-E87 WeakPolarHBondContact O-CG 3.25Å; K83-E87 PolarHBondContact O-N 2.95Å; D84-E87 PolarHBondContact O-N 2.93Å; M85-E87 VanDerWaalsContact C-N 3.34Å; E87-A89 VanDerWaalsContact C-N 3.29Å; E87-A89 PolarHBondContact O-N 3.13Å; E87-L90 WeakPolarHBondContact O-CB 3.45Å; E87-L90 PolarHBondContact O-N 3.23Å; E87-L90 VanDerWaalsContact O-N 3.14Å; E87-D91 PolarHBondContact O-N 3.04Å
88V97.4Very high97.5Very high14 Ų1453.9 Ų53.99%0.08527%0.273CS..Hα-helixtrans-62.4-36.5173.2176.40000111.8A21 K22 S25 D84 M85 L86 D91 R92A21-V88 HydrophobicContact CB-CG2 3.99Å; K22-V88 HydrophobicContact CG-CG2 4.13Å; S25-V88 WeakPolarHBondContact OG-CG1 3.48Å; D84-V88 WeakPolarHBondContact O-CG2 3.46Å; D84-V88 PolarHBondContact O-N 3.27Å; D84-V88 VanDerWaalsContact O-N 3.14Å; M85-V88 PolarHBondContact O-N 2.94Å; L86-V88 VanDerWaalsContact C-N 3.34Å; V88-D91 PolarHBondContact O-N 3.43Å; V88-R92 WeakPolarHBondContact O-CD 2.93Å; V88-R92 WeakPolarHBondContact O-CG 3.46Å; V88-R92 PolarHBondContact O-N 2.93Å; V88-R92 VanDerWaalsContact O-N 3.12Å
89A97.7Very high97.5Very high0 Ų055.9 Ų55.90%029%0.285CS..Hα-helixtrans-64.4-40.1174.200000112S62 M85 L86 E87 R92 E93 V94 L98S62-A89 VanDerWaalsContact C-CB 3.47Å; S62-A89 WeakPolarHBondContact O-CA 3.49Å; M85-A89 PolarHBondContact O-N 3.05Å; L86-A89 WeakPolarHBondContact O-CB 3.39Å; L86-A89 PolarHBondContact O-N 3.33Å; E87-A89 VanDerWaalsContact C-N 3.29Å; E87-A89 PolarHBondContact O-N 3.13Å; A89-R92 PolarHBondContact O-N 3.04Å; A89-E93 PolarHBondContact O-N 3.14Å; A89-V94 HydrophobicContact CB-CG1 4.49Å; A89-V94 HydrophobicContact CB-CG2 4.15Å; A89-V94 WeakPolarHBondContact O-CG1 3.4Å; A89-V94 WeakPolarHBondContact O-CG2 3.35Å; A89-V94 PolarHBondContact O-N 3.4Å; A89-L98 HydrophobicContact CB-CD1 3.62Å; A89-L98 HydrophobicContact CB-CD2 4.38Å
90L97.3Very high97.5Very high112 Ų11260.7 Ų60.759%0.58631%0.31SS*.Hα-helixtrans-65.7-43.7175.2-70.4171.4000111.9L86 E87 R92 E93 L98L86-L90 WeakPolarHBondContact O-CG 3.33Å; L86-L90 PolarHBondContact O-N 3.21Å; E87-L90 WeakPolarHBondContact O-CB 3.45Å; E87-L90 PolarHBondContact O-N 3.23Å; E87-L90 VanDerWaalsContact O-N 3.14Å; L90-R92 PolarHBondContact O-N 2.86Å; L90-E93 WeakPolarHBondContact O-CA 3.37Å; L90-E93 PolarHBondContact O-N 3.09Å; L90-L98 HydrophobicContact CD2-CD1 3.82Å; L90-L98 HydrophobicContact CG-CD1 3.85Å
91D96.7Very high97.4Very high127 Ų12760.8 Ų60.868%0.67932%0.315SS*.Hα-helixtrans-61.8-26.6176.8-74.3-14.4000112.4E87 V88 E93E87-D91 PolarHBondContact O-N 3.04Å; V88-D91 PolarHBondContact O-N 3.43Å; D91-E93 VanDerWaalsContact C-N 3.28Å
92R94.7Very high97.4Very high71 Ų7160.6 Ų60.627%0.26832%0.315SS..THydrogen-bonded Turntrans-82.6-2.7173.6-70.4169.566.3133.210.4113.9E67 V88 A89 L90 V94E67-R92 IonicContact OE1-CZ 2.76Å; E67-R92 VanDerWaalsContact OE1-CZ 3.29Å; E67-R92 IonicContact OE1-NE 3.29Å; E67-R92 PolarHBondContact OE1-NE 2.88Å; E67-R92 IonicContact OE1-NH2 2.98Å; E67-R92 PolarHBondContact OE1-NH2 2.93Å; E67-R92 IonicContact OE2-CZ 3.25Å; E67-R92 IonicContact OE2-NH2 3.87Å; E67-R92 PolarHBondContact OE2-NH2 3.3Å; V88-R92 WeakPolarHBondContact O-CD 2.93Å; V88-R92 WeakPolarHBondContact O-CG 3.46Å; V88-R92 PolarHBondContact O-N 2.93Å; V88-R92 VanDerWaalsContact O-N 3.12Å; A89-R92 PolarHBondContact O-N 3.04Å; L90-R92 PolarHBondContact O-N 2.86Å; R92-V94 VanDerWaalsContact C-N 3.3Å; R92-V94 HydrophobicContact CB-CG1 4.18Å; R92-V94 PolarHBondContact O-N 3.24Å
93E95.9Very high97.4Very high175 Ų17561.3 Ų61.382%0.81832%0.318SS*.THydrogen-bonded Turntrans5542.7-179.6-55.5-175.8150.800113A89 L90 D91A89-E93 PolarHBondContact O-N 3.14Å; L90-E93 WeakPolarHBondContact O-CA 3.37Å; L90-E93 PolarHBondContact O-N 3.09Å; D91-E93 VanDerWaalsContact C-N 3.28Å
94V96.9Very high97.4Very high22 Ų2255.8 Ų55.813%0.13330%0.296CS..  trans-60.4144.7178.5-610000112E67 W76 A89 R92 G96 L98E67-V94 HydrophobicContact CG-CG1 4.08Å; W76-V94 HydrophobicContact CH2-CB 4.26Å; W76-V94 HydrophobicContact CH2-CG2 3.99Å; W76-V94 HydrophobicContact CZ2-CB 4Å; W76-V94 HydrophobicContact CZ2-CG2 4.15Å; A89-V94 HydrophobicContact CB-CG1 4.49Å; A89-V94 HydrophobicContact CB-CG2 4.15Å; A89-V94 WeakPolarHBondContact O-CG1 3.4Å; A89-V94 WeakPolarHBondContact O-CG2 3.35Å; A89-V94 PolarHBondContact O-N 3.4Å; R92-V94 VanDerWaalsContact C-N 3.3Å; R92-V94 HydrophobicContact CB-CG1 4.18Å; R92-V94 PolarHBondContact O-N 3.24Å; V94-G96 VanDerWaalsContact C-N 3.35Å; V94-G96 PolarHBondContact O-N 2.88Å; V94-L98 HydrophobicContact CG2-CD1 4.09Å; V94-L98 HydrophobicContact CG2-CD2 4.3Å; V94-L98 HydrophobicContact CG2-CG 4.37Å
95E96.3Very high97.3Very high157 Ų15757.7 Ų57.773%0.73431%0.312SS*.SBendtrans-74.1-22.6-176-66.8-173.5-152.500114.2T70T70-E95 HydrophobicContact CG2-CB 4.29Å; T70-E95 HydrophobicContact CG2-CG 4.1Å; T70-E95 WeakPolarHBondContact CG2-OE1 3.47Å; T70-E95 VanDerWaalsContact CG2-OE2 3.3Å; T70-E95 WeakPolarHBondContact CG2-OE2 3.36Å
96G96.8Very high97.3Very high13 Ų1358 Ų5813%0.13432%0.317CS..SBendtrans-76.4158.2-177.200000113.5W76 V94W76-G96 VanDerWaalsContact CE2-CA 3.44Å; W76-G96 WeakPolarHBondContact O-CA 3.23Å; V94-G96 VanDerWaalsContact C-N 3.35Å; V94-G96 PolarHBondContact O-N 2.88Å
97S98.1Very high97.3Very high79 Ų7958 Ų5855%0.55232%0.318SS*.EExtended strand (participates in β ladder)trans-80.7139.9170.3-630000110.6W76 V77 G78W76-S97 PolarHBondContact O-N 3.21Å; V77-S97 CarbonylContact C-O 3.42Å; V77-S97 WeakPolarHBondContact CA-O 3.5Å; G78-S97 PolarHBondContact N-O 3.31Å
98L98.5Very high97.2Very high42 Ų4258.9 Ų58.922%0.2233%0.33CS..EExtended strand (participates in β ladder)trans-113136.4-176.5-60.5175.8000111.3W76 L86 A89 L90 V94W76-L98 HydrophobicContact CH2-CD2 3.93Å; W76-L98 HydrophobicContact CZ3-CD2 3.92Å; L86-L98 HydrophobicContact CD2-CB 4.25Å; L86-L98 HydrophobicContact CD2-CD1 4.46Å; L86-L98 HydrophobicContact CD2-CD2 4.12Å; A89-L98 HydrophobicContact CB-CD1 3.62Å; A89-L98 HydrophobicContact CB-CD2 4.38Å; L90-L98 HydrophobicContact CD2-CD1 3.82Å; L90-L98 HydrophobicContact CG-CD1 3.85Å; V94-L98 HydrophobicContact CG2-CD1 4.09Å; V94-L98 HydrophobicContact CG2-CD2 4.3Å; V94-L98 HydrophobicContact CG2-CG 4.37Å
99V98.3Very high97.2Very high41 Ų4160.5 Ų60.525%0.24834%0.336CS..EExtended strand (participates in β ladder)trans-127.2122179.3-178.80000109.3V77 G78 V79 D80 G101 P108 F109V77-V99 HydrophobicContact CG1-CG2 4Å; G78-V99 PolarHBondContact O-N 3.2Å; V79-V99 VanDerWaalsContact CA-O 3.31Å; V79-V99 WeakPolarHBondContact CA-O 3.07Å; V79-V99 HydrophobicContact CG2-CB 4.24Å; D80-V99 PolarHBondContact N-O 3.1Å; D80-V99 VanDerWaalsContact N-O 3.14Å; V99-G101 PolarHBondContact O-N 2.96Å; V99-P108 HydrophobicContact CG1-CG 4.32Å; V99-F109 HydrophobicContact CG2-CE1 4.35Å; V99-F109 HydrophobicContact CG2-CZ 4.35Å
100L98.4Very high97.2Very high103 Ų10370.4 Ų70.454%0.53937%0.373SS..EExtended strand (participates in β ladder)trans-75.3121.4168.6-179.266.5000109.4D80 I81 K83 L86D80-L100 CarbonylContact O-C 3.53Å; D80-L100 WeakPolarHBondContact O-CA 3.37Å; I81-L100 WeakPolarHBondContact O-CD1 3.42Å; K83-L100 HydrophobicContact CB-CD1 4.25Å; L86-L100 HydrophobicContact CD1-CB 3.92Å; L86-L100 HydrophobicContact CD1-CD1 3.98Å
101G97.7Very high97.1Very high20 Ų2067.5 Ų67.521%0.20637%0.37CS..  trans-168.6143-179.500000115D80 I81 V99 L103D80-G101 CarbonylContact C-O 3.57Å; D80-G101 PolarHBondContact O-N 3.36Å; I81-G101 PolarHBondContact N-O 3.27Å; V99-G101 PolarHBondContact O-N 2.96Å; G101-L103 PolarHBondContact O-N 2.95Å
102D97Very high97.2Very high34 Ų3463.2 Ų63.218%0.18236%0.356CS..  trans-80.4113.2169.1-179.6-4000109.8I81 G104 C105 R139I81-D102 HydrophobicContact CD1-CB 3.85Å; I81-D102 HydrophobicContact CG1-CB 4.24Å; D102-G104 PolarHBondContact O-N 2.98Å; D102-G104 VanDerWaalsContact O-N 3.14Å; D102-G104 WeakPolarHBondContact OD1-CA 3.4Å; D102-G104 PolarHBondContact OD1-N 3.26Å; D102-C105 HydrophobicContact CB-CB 4.43Å; D102-C105 WeakPolarHBondContact O-CB 3.42Å; D102-C105 PolarHBondContact O-N 2.97Å; D102-R139 VanDerWaalsContact CG-NH2 3.28Å; D102-R139 IonicContact OD1-CZ 2.79Å; D102-R139 IonicContact OD1-NH1 3.97Å; D102-R139 IonicContact OD1-NH2 3.66Å; D102-R139 PolarHBondContact OD1-NH2 2.86Å; D102-R139 IonicContact OD2-CZ 2.92Å; D102-R139 IonicContact OD2-NH1 2.8Å; D102-R139 PolarHBondContact OD2-NH1 3.19Å; D102-R139 IonicContact OD2-NH2 3.67Å; D102-R139 PolarHBondContact OD2-NH2 2.8Å
103L97.8Very high97.3Very high15 Ų1562.2 Ų62.28%0.07936%0.36CS..G310 helixtrans-54.3-33.3177.5-58.6179.8000112.7I58 V79 G101 C105 G106 L107 L126 F143I58-L103 HydrophobicContact CG2-CD1 3.41Å; I58-L103 VanDerWaalsContact CG2-CD1 3.41Å; I58-L103 HydrophobicContact CG2-CD2 3.66Å; I58-L103 HydrophobicContact CG2-CG 4.16Å; V79-L103 HydrophobicContact CB-CD2 4.22Å; V79-L103 HydrophobicContact CG1-CD2 3.96Å; G101-L103 PolarHBondContact O-N 2.95Å; L103-C105 PolarHBondContact O-N 3.44Å; L103-G106 PolarHBondContact O-N 3.12Å; L103-L107 HydrophobicContact CD2-CD2 3.77Å; L103-L126 HydrophobicContact CB-CD1 4.02Å; L103-L126 HydrophobicContact CB-CD2 4.18Å; L103-F143 HydrophobicContact CB-CD2 3.93Å; L103-F143 HydrophobicContact CB-CE2 4.27Å; L103-F143 HydrophobicContact CD1-CE2 4.48Å; L103-F143 HydrophobicContact CD2-CE2 4.34Å; L103-F143 WeakPolarHBondContact O-CB 3.35Å
104G96.5Very high97.5Very high6 Ų654.1 Ų54.16%0.06232%0.322CS..G310 helixtrans-69.1-13.6178.400000114.2D102D102-G104 PolarHBondContact O-N 2.98Å; D102-G104 VanDerWaalsContact O-N 3.14Å; D102-G104 WeakPolarHBondContact OD1-CA 3.4Å; D102-G104 PolarHBondContact OD1-N 3.26Å
105C96.5Very high97.5Very high84 Ų8456.1 Ų56.157%0.56833%0.332SS*.G310 helixtrans-87.2-9.6172.1-66.90000112.7D102 L103 R142D102-C105 HydrophobicContact CB-CB 4.43Å; D102-C105 WeakPolarHBondContact O-CB 3.42Å; D102-C105 PolarHBondContact O-N 2.97Å; L103-C105 PolarHBondContact O-N 3.44Å; C105-R142 VanDerWaalsContact C-CG 3.49Å; C105-R142 WeakPolarHBondContact O-CG 3.37Å; C105-R142 PolarHBondContact O-NE 3.47Å
106G97.4Very high97.6Very high15 Ų1548.7 Ų48.716%0.15530%0.297CS..  trans93.6154.6-174.300000112.3L103 S146L103-G106 PolarHBondContact O-N 3.12Å; G106-S146 VanDerWaalsContact CA-OG 3.32Å; G106-S146 WeakPolarHBondContact CA-OG 3.31Å
107L98.2Very high97.7Very high13 Ų1348 Ų487%0.06829%0.291CS..  trans-79.7131.1-176.6-64.4169.9000111.2L56 V79 L103 F109 F143 S146 L147L56-L107 HydrophobicContact CD2-CD1 3.67Å; L56-L107 HydrophobicContact CD2-CD2 4.44Å; V79-L107 HydrophobicContact CG2-CD2 4.33Å; L103-L107 HydrophobicContact CD2-CD2 3.77Å; L107-F109 HydrophobicContact CB-CD2 3.89Å; L107-F109 HydrophobicContact CB-CE2 4.31Å; L107-F109 HydrophobicContact CD2-CE2 4.28Å; L107-F109 PolarHBondContact O-N 3.28Å; L107-F109 VanDerWaalsContact O-N 3.08Å; L107-F143 HydrophobicContact CD1-CE2 4.22Å; L107-F143 HydrophobicContact CD2-CE2 4.5Å; L107-F143 HydrophobicContact CG-CD2 4.44Å; L107-F143 HydrophobicContact CG-CE2 4.42Å; L107-S146 VanDerWaalsContact N-CB 3.35Å; L107-S146 PolarHBondContact N-OG 3.09Å; L107-L147 HydrophobicContact CD1-CB 3.72Å; L107-L147 HydrophobicContact CD1-CD1 3.65Å; L107-L147 HydrophobicContact CD1-CG 4.27Å
108P96.3Very high97.8Very high93 Ų9344.3 Ų44.360%0.60426%0.264SS*.  trans-86.839.7-173.337.4-38.3000112.8V99V99-P108 HydrophobicContact CG1-CG 4.32Å
109F98.1Very high97.8Very high49 Ų4942.3 Ų42.322%0.21525%0.254CS..  trans-110.6156.2-174.9-56.8-64000112.9L56 V77 V79 V99 L107 F114L56-F109 HydrophobicContact CD1-CD2 4.14Å; L56-F109 HydrophobicContact CD1-CE2 3.39Å; L56-F109 HydrophobicContact CD1-CZ 3.85Å; L56-F109 HydrophobicContact CD2-CD2 4.27Å; L56-F109 HydrophobicContact CD2-CE2 4.16Å; L56-F109 HydrophobicContact CG-CE2 4.45Å; V77-F109 HydrophobicContact CG1-CE1 3.92Å; V77-F109 HydrophobicContact CG1-CZ 3.9Å; V79-F109 HydrophobicContact CG2-CE2 3.53Å; V79-F109 HydrophobicContact CG2-CZ 3.46Å; V79-F109 VanDerWaalsContact CG2-CZ 3.46Å; V99-F109 HydrophobicContact CG2-CE1 4.35Å; V99-F109 HydrophobicContact CG2-CZ 4.35Å; L107-F109 HydrophobicContact CB-CD2 3.89Å; L107-F109 HydrophobicContact CB-CE2 4.31Å; L107-F109 HydrophobicContact CD2-CE2 4.28Å; L107-F109 PolarHBondContact O-N 3.28Å; L107-F109 VanDerWaalsContact O-N 3.08Å; F109-F114 HydrophobicContact CB-CE2 3.76Å; F109-F114 AromaticContact CD1-CE2 3.99Å; F109-F114 HydrophobicContact CD1-CE2 3.99Å; F109-F114 AromaticContact CD1-CZ 3.96Å; F109-F114 HydrophobicContact CD1-CZ 3.96Å; F109-F114 AromaticContact CD2-CE2 3.63Å; F109-F114 HydrophobicContact CD2-CE2 3.63Å; F109-F114 HydrophobicContact CD2-CZ 4.06Å; F109-F114 HydrophobicContact CE1-CZ 4.11Å; F109-F114 HydrophobicContact CE2-CE2 4.21Å; F109-F114 HydrophobicContact CE2-CZ 4.23Å; F109-F114 AromaticContact CG-CE2 3.52Å; F109-F114 HydrophobicContact CG-CE2 3.52Å; F109-F114 AromaticContact CG-CZ 3.94Å; F109-F114 HydrophobicContact CG-CZ 3.94Å; F109-F114 HydrophobicContact CZ-CZ 4.25Å
110R97.3Very high97.8Very high208 Ų20840.8 Ų40.879%0.78524%0.244SC*.  trans-68.6151.4173.1-179.4176.8177.61291.1109.6S113R110-S113 WeakPolarHBondContact CB-OG 3.36Å; R110-S113 WeakPolarHBondContact O-CB 3.49Å; R110-S113 PolarHBondContact O-OG 3.17Å
111G96.6Very high97.7Very high50 Ų5036.5 Ų36.552%0.51522%0.223SC..THydrogen-bonded Turntrans-64.3139.1177.100000112.6S113 S149G111-S113 PolarHBondContact O-N 2.87Å; G111-S149 CarbonylContact C-O 3.54Å; G111-S149 WeakPolarHBondContact CA-O 3.45Å
112G97.4Very high97.6Very high38 Ų3836.3 Ų36.339%0.39222%0.219SC..THydrogen-bonded Turntrans63.933.5179.600000114.7S149 S150 T152G112-S149 PolarHBondContact N-O 2.83Å; G112-S150 CarbonylContact C-O 3.53Å; G112-S150 PolarHBondContact N-O 2.83Å; G112-T152 VanDerWaalsContact O-CG2 3.28Å; G112-T152 WeakPolarHBondContact O-CG2 3.41Å
113S98.2Very high97.6Very high50 Ų5034.7 Ų34.735%0.3521%0.211SC..  trans-87-19.4-179.2-73.70000114.7R110 G111 S150R110-S113 WeakPolarHBondContact CB-OG 3.36Å; R110-S113 WeakPolarHBondContact O-CB 3.49Å; R110-S113 PolarHBondContact O-OG 3.17Å; G111-S113 PolarHBondContact O-N 2.87Å; S113-S150 PolarHBondContact N-O 3.41Å
114F98.7Very high97.5Very high5 Ų534.1 Ų34.12%0.02221%0.208CC..EExtended strand (participates in β ladder)trans-125.7139-174-59.5-84.5000112.2M54 L56 V77 F109 G116 S150 L151 T152M54-F114 HydrophobicContact CG-CD1 3.75Å; M54-F114 HydrophobicContact CG-CE1 4.08Å; M54-F114 CarbonylContact O-C 3.53Å; M54-F114 WeakPolarHBondContact O-CA 3.38Å; L56-F114 HydrophobicContact CB-CB 4.33Å; L56-F114 HydrophobicContact CB-CD1 3.65Å; L56-F114 HydrophobicContact CB-CD2 4.09Å; L56-F114 HydrophobicContact CB-CE1 3.89Å; L56-F114 HydrophobicContact CB-CE2 4.3Å; L56-F114 HydrophobicContact CB-CG 3.76Å; L56-F114 HydrophobicContact CB-CZ 4.21Å; L56-F114 HydrophobicContact CD1-CE1 4.13Å; L56-F114 HydrophobicContact CD1-CE2 4.2Å; L56-F114 HydrophobicContact CD1-CZ 3.84Å; L56-F114 HydrophobicContact CD2-CD2 4.41Å; L56-F114 HydrophobicContact CD2-CE2 4.36Å; L56-F114 HydrophobicContact CG-CZ 4.48Å; V77-F114 HydrophobicContact CB-CE1 3.87Å; V77-F114 HydrophobicContact CB-CZ 4.1Å; V77-F114 HydrophobicContact CG2-CE1 3.93Å; V77-F114 HydrophobicContact CG2-CZ 4.26Å; F109-F114 HydrophobicContact CB-CE2 3.76Å; F109-F114 AromaticContact CD1-CE2 3.99Å; F109-F114 HydrophobicContact CD1-CE2 3.99Å; F109-F114 AromaticContact CD1-CZ 3.96Å; F109-F114 HydrophobicContact CD1-CZ 3.96Å; F109-F114 AromaticContact CD2-CE2 3.63Å; F109-F114 HydrophobicContact CD2-CE2 3.63Å; F109-F114 HydrophobicContact CD2-CZ 4.06Å; F109-F114 HydrophobicContact CE1-CZ 4.11Å; F109-F114 HydrophobicContact CE2-CE2 4.21Å; F109-F114 HydrophobicContact CE2-CZ 4.23Å; F109-F114 AromaticContact CG-CE2 3.52Å; F109-F114 HydrophobicContact CG-CE2 3.52Å; F109-F114 AromaticContact CG-CZ 3.94Å; F109-F114 HydrophobicContact CG-CZ 3.94Å; F109-F114 HydrophobicContact CZ-CZ 4.25Å; F114-G116 VanDerWaalsContact C-N 3.35Å; F114-S150 PolarHBondContact N-O 3.48Å; F114-S150 VanDerWaalsContact N-O 3.11Å; F114-L151 HydrophobicContact CB-CD2 3.98Å; F114-L151 WeakPolarHBondContact O-CA 3.3Å; F114-T152 PolarHBondContact O-N 3.14Å; F114-T152 PolarHBondContact O-OG1 2.79Å
115D98.1Very high97.5Very high64 Ų6434.9 Ų34.934%0.34221%0.209SC..EExtended strand (participates in β ladder)trans-84.2-15.2177.9-57.8-53.4000112.7C53 M54 A155C53-D115 HydrophobicContact CB-CB 3.92Å; M54-D115 PolarHBondContact N-OD2 3.39Å; M54-D115 PolarHBondContact O-N 3.24Å; D115-A155 WeakPolarHBondContact O-CA 3.42Å; D115-A155 WeakPolarHBondContact O-CB 3.18Å
116G98.2Very high97.5Very high0 Ų031.2 Ų31.20%018%0.183CC..EExtended strand (participates in β ladder)trans-166.3167.417200000111.5I55 L56 F114 R156I55-G116 WeakPolarHBondContact CA-O 3.4Å; L56-G116 PolarHBondContact N-O 2.9Å; F114-G116 VanDerWaalsContact C-N 3.35Å; G116-R156 CarbonylContact C-O 3.55Å; G116-R156 WeakPolarHBondContact CA-O 3.33Å
117A98.8Very high97.4Very high0 Ų031.3 Ų31.30%018%0.182CC..EExtended strand (participates in β ladder)trans-136.7142.217200000110.9L56 I58 L147 L151 R156 A157 V158L56-A117 HydrophobicContact CB-CB 4.01Å; L56-A117 CarbonylContact O-C 3.5Å; L56-A117 VanDerWaalsContact O-CA 3.24Å; L56-A117 WeakPolarHBondContact O-CA 3.36Å; I58-A117 HydrophobicContact CD1-CB 3.98Å; A117-L147 HydrophobicContact CB-CD1 3.97Å; A117-L151 HydrophobicContact CB-CD2 4.01Å; A117-R156 PolarHBondContact N-O 3.35Å; A117-A157 HydrophobicContact CB-CB 4.04Å; A117-A157 CarbonylContact O-C 3.58Å; A117-A157 WeakPolarHBondContact O-CA 3.36Å; A117-V158 PolarHBondContact O-N 3Å
118I98.8Very high97Very high0 Ų032 Ų320%019%0.185CC..EExtended strand (participates in β ladder)trans-119.9156.5166.866.4171.4000110.2T38 A41 L42 L45 L56 I58 I69 I120 V158T38-I118 HydrophobicContact CG2-CD1 3.71Å; A41-I118 HydrophobicContact CB-CB 4.47Å; A41-I118 HydrophobicContact CB-CG2 4.09Å; L42-I118 HydrophobicContact CD2-CG2 4.37Å; L45-I118 HydrophobicContact CD1-CG2 3.62Å; L45-I118 HydrophobicContact CD2-CG2 4.5Å; L45-I118 HydrophobicContact CG-CG2 4.03Å; L56-I118 PolarHBondContact O-N 3.09Å; I58-I118 WeakPolarHBondContact CB-O 3.34Å; I58-I118 PolarHBondContact N-O 2.73Å; I69-I118 HydrophobicContact CD1-CD1 3.75Å; I69-I118 HydrophobicContact CD1-CG1 4.13Å; I69-I118 HydrophobicContact CG1-CD1 3.96Å; I118-I120 HydrophobicContact CB-CD1 4.49Å; I118-I120 HydrophobicContact CD1-CD1 4.45Å; I118-I120 HydrophobicContact CD1-CG1 4.37Å; I118-V158 CarbonylContact C-O 3.44Å; I118-V158 VanDerWaalsContact CA-O 3.25Å; I118-V158 WeakPolarHBondContact CA-O 3.43Å
119S98.7Very high96.7Very high0 Ų030.1 Ų30.10%018%0.178CC..EExtended strand (participates in β ladder)trans-143.9124166.1-171.90000108.6I58 V158 F159 Q160I58-S119 VanDerWaalsContact O-CA 3.3Å; I58-S119 WeakPolarHBondContact O-CA 3.46Å; I58-S119 VanDerWaalsContact O-CB 3.31Å; I58-S119 WeakPolarHBondContact O-CB 3.27Å; I58-S119 PolarHBondContact O-OG 3.11Å; S119-V158 PolarHBondContact N-O 2.91Å; S119-F159 VanDerWaalsContact CB-CD1 3.4Å; S119-F159 CarbonylContact O-C 3.58Å; S119-F159 WeakPolarHBondContact O-CA 3.39Å; S119-Q160 PolarHBondContact O-N 3.2Å
120I98.4Very high96.1Very high10 Ų1030.5 Ų30.55%0.05118%0.182CC..EExtended strand (participates in β ladder)trans-114.1115.1-177.4-49.3-51.3000109.5I37 A41 I118 A122 Q160I37-I120 HydrophobicContact CB-CG2 4.21Å; I37-I120 HydrophobicContact CG2-CD1 4.05Å; I37-I120 HydrophobicContact CG2-CG2 3.49Å; I37-I120 VanDerWaalsContact CG2-CG2 3.49Å; A41-I120 HydrophobicContact CB-CD1 3.7Å; I118-I120 HydrophobicContact CB-CD1 4.49Å; I118-I120 HydrophobicContact CD1-CD1 4.45Å; I118-I120 HydrophobicContact CD1-CG1 4.37Å; I120-A122 PolarHBondContact O-N 3.12Å; I120-Q160 HydrophobicContact CD1-CB 4.15Å; I120-Q160 HydrophobicContact CG2-CB 4.48Å
121S96.2Very high95.6Very high13 Ų1326 Ų269%0.09117%0.165CC..SBendtrans59.225.9175.6-58.40000114.9Q124 Q160 Y162S121-Q124 VanDerWaalsContact C-OE1 3.29Å; S121-Q124 PolarHBondContact O-NE2 3.37Å; S121-Q124 PolarHBondContact O-OE1 2.69Å; S121-Q160 PolarHBondContact N-O 2.91Å; S121-Q160 VanDerWaalsContact N-OE1 3.1Å; S121-Q160 PolarHBondContact OG-OE1 3.09Å; S121-Y162 WeakPolarHBondContact OG-CE2 3.2Å
122A97Very high95.2Very high15 Ų1530.1 Ų30.112%0.12419%0.186CC..  trans-116.9-39-174.600000115.5I120 Q124 W125I120-A122 PolarHBondContact O-N 3.12Å; A122-Q124 VanDerWaalsContact C-N 3.26Å; A122-Q124 PolarHBondContact O-N 3.31Å; A122-Q124 VanDerWaalsContact O-N 3.16Å; A122-W125 WeakPolarHBondContact O-CB 3.43Å; A122-W125 PolarHBondContact O-N 3.48Å
123I96.8Very high94.8Very high0 Ų033.2 Ų33.20%020%0.202CC..G310 helixtrans-66.7-23.4-170.856.6160.8000115W125 L126 F143 F159 F161 L172I123-W125 PolarHBondContact O-N 3.28Å; I123-L126 WeakPolarHBondContact O-CB 3.46Å; I123-L126 PolarHBondContact O-N 2.94Å; I123-F143 HydrophobicContact CG2-CE1 4.08Å; I123-F143 HydrophobicContact CG2-CZ 4.19Å; I123-F159 HydrophobicContact CD1-CB 3.47Å; I123-F159 VanDerWaalsContact CD1-CB 3.47Å; I123-F159 HydrophobicContact CD1-CD1 4Å; I123-F159 HydrophobicContact CD1-CG 3.86Å; I123-F159 HydrophobicContact CG1-CB 4.15Å; I123-F159 HydrophobicContact CG1-CD1 4.41Å; I123-F159 HydrophobicContact CG2-CD1 3.48Å; I123-F159 VanDerWaalsContact CG2-CD1 3.48Å; I123-F159 HydrophobicContact CG2-CE1 4.06Å; I123-F159 HydrophobicContact CG2-CG 4.42Å; I123-F161 HydrophobicContact CD1-CB 3.99Å; I123-F161 HydrophobicContact CD1-CD1 3.95Å; I123-F161 HydrophobicContact CD1-CD2 4.48Å; I123-F161 HydrophobicContact CD1-CG 3.91Å; I123-F161 HydrophobicContact CG1-CB 3.6Å; I123-F161 HydrophobicContact CG1-CG 4.07Å; I123-L172 HydrophobicContact CD1-CD1 3.96Å; I123-L172 HydrophobicContact CD1-CD2 4.15Å
124Q95.9Very high94.5Very high4 Ų431.8 Ų31.82%0.01919%0.19CC..G310 helixtrans-65.7-21.5179.673.3-75.6-5.400112.6E7 S121 A122 L126 C127 F161E7-Q124 HydrophobicContact CG-CG 4.21Å; E7-Q124 WeakPolarHBondContact OE1-CG 3.45Å; E7-Q124 PolarHBondContact OE1-NE2 3.36Å; S121-Q124 VanDerWaalsContact C-OE1 3.29Å; S121-Q124 PolarHBondContact O-NE2 3.37Å; S121-Q124 PolarHBondContact O-OE1 2.69Å; A122-Q124 VanDerWaalsContact C-N 3.26Å; A122-Q124 PolarHBondContact O-N 3.31Å; A122-Q124 VanDerWaalsContact O-N 3.16Å; Q124-L126 PolarHBondContact O-N 3.29Å; Q124-C127 WeakPolarHBondContact O-CB 3.41Å; Q124-C127 PolarHBondContact O-N 2.99Å; Q124-C127 VanDerWaalsContact O-N 3.13Å; Q124-F161 HydrophobicContact CB-CB 4.49Å
125W96.1Very high94.3Very high21 Ų2135.8 Ų35.88%0.0821%0.211CC..G310 helixtrans-63.9-27.2173-67.192.2000112.6P6 E7 L10 P12 Y15 Y16 A122 I123 C127 N128P6-W125 HydrophobicContact CB-CH2 3.57Å; P6-W125 HydrophobicContact CB-CZ2 3.69Å; E7-W125 HydrophobicContact CB-CD2 4.43Å; E7-W125 HydrophobicContact CB-CE3 4.07Å; E7-W125 HydrophobicContact CB-CZ3 4.25Å; E7-W125 HydrophobicContact CG-CD2 3.69Å; E7-W125 HydrophobicContact CG-CE3 3.83Å; E7-W125 HydrophobicContact CG-CG 4.17Å; E7-W125 HydrophobicContact CG-CH2 4.37Å; E7-W125 HydrophobicContact CG-CZ2 4.21Å; E7-W125 HydrophobicContact CG-CZ3 4.18Å; L10-W125 WeakPolarHBondContact O-CZ3 3.48Å; P12-W125 HydrophobicContact CB-CD2 3.86Å; P12-W125 HydrophobicContact CB-CE3 3.68Å; P12-W125 HydrophobicContact CB-CG 4.34Å; P12-W125 HydrophobicContact CB-CH2 4.48Å; P12-W125 HydrophobicContact CB-CZ3 4Å; P12-W125 HydrophobicContact CG-CB 4.45Å; P12-W125 HydrophobicContact CG-CD2 4.33Å; P12-W125 HydrophobicContact CG-CE3 3.98Å; Y15-W125 AromaticContact CD1-CH2 3.98Å; Y15-W125 HydrophobicContact CD1-CH2 3.98Å; Y15-W125 HydrophobicContact CD1-CZ2 4.37Å; Y15-W125 AromaticContact CG-CH2 3.94Å; Y15-W125 HydrophobicContact CG-CH2 3.94Å; Y16-W125 HydrophobicContact CD2-CZ2 4.39Å; Y16-W125 HydrophobicContact CE2-CH2 4.16Å; Y16-W125 AromaticContact CE2-CZ2 3.47Å; Y16-W125 HydrophobicContact CE2-CZ2 3.47Å; Y16-W125 VanDerWaalsContact CE2-CZ2 3.47Å; A122-W125 WeakPolarHBondContact O-CB 3.43Å; A122-W125 PolarHBondContact O-N 3.48Å; I123-W125 PolarHBondContact O-N 3.28Å; W125-C127 PolarHBondContact O-N 2.92Å; W125-N128 PolarHBondContact O-N 2.91Å
126L96.2Very high94.2Very high7 Ų734.2 Ų34.24%0.03720%0.204CC..G310 helixtrans-73-12.3176.3-64.8-179.2000113.7L103 I123 Q124 N128 L140 F143L103-L126 HydrophobicContact CB-CD1 4.02Å; L103-L126 HydrophobicContact CB-CD2 4.18Å; I123-L126 WeakPolarHBondContact O-CB 3.46Å; I123-L126 PolarHBondContact O-N 2.94Å; Q124-L126 PolarHBondContact O-N 3.29Å; L126-N128 VanDerWaalsContact C-N 3.26Å; L126-L140 HydrophobicContact CB-CD2 3.56Å; L126-L140 HydrophobicContact CB-CG 4.24Å; L126-L140 HydrophobicContact CD1-CD2 4.07Å; L126-L140 HydrophobicContact CG-CD2 4.49Å; L126-F143 HydrophobicContact CD1-CB 4.01Å; L126-F143 HydrophobicContact CD1-CD1 3.96Å; L126-F143 HydrophobicContact CD1-CD2 4.34Å; L126-F143 HydrophobicContact CD1-CG 3.83Å
127C94.6Very high94.1Very high18 Ų1837.6 Ų37.612%0.12222%0.222CC..G310 helixtrans-81-10178.4-60.10000112.7Q124 W125 P136 Q168Q124-C127 WeakPolarHBondContact O-CB 3.41Å; Q124-C127 PolarHBondContact O-N 2.99Å; Q124-C127 VanDerWaalsContact O-N 3.13Å; W125-C127 PolarHBondContact O-N 2.92Å; C127-P136 WeakPolarHBondContact O-CB 3.32Å; C127-Q168 HydrophobicContact CB-CG 3.9Å
128N91.7Very high94Very high26 Ų2639.7 Ų39.714%0.13924%0.239CC..  trans-104.5151.2-177.7-67.420.6000110.5E7 W125 L126E7-N128 VanDerWaalsContact CB-ND2 3.32Å; E7-N128 WeakPolarHBondContact CB-ND2 3.31Å; E7-N128 PolarHBondContact O-ND2 3.31Å; W125-N128 PolarHBondContact O-N 2.91Å; L126-N128 VanDerWaalsContact C-N 3.26Å
129A89.5Confident94Very high55 Ų5541.3 Ų41.346%0.45525%0.245SC..  trans-113.899.517300000108.5R131 Q134 P136A129-R131 VanDerWaalsContact C-N 3.3Å; A129-Q134 HydrophobicContact CB-CB 4.14Å; A129-Q134 WeakPolarHBondContact CB-O 3.45Å; A129-P136 HydrophobicContact CB-CG 3.92Å
130D86.2Confident93.9Very high57 Ų5741.4 Ų41.431%0.30525%0.246SC..SBendtrans-78.5-19.4177.7-54-65.1000112.4P11P11-D130 HydrophobicContact CB-CB 4.17Å; P11-D130 HydrophobicContact CG-CB 3.76Å
131R86.1Confident93.9Very high113 Ų11344.4 Ų44.443%0.42626%0.256SS..SBendtrans-126147.4177.2-62.9-176.4-76.6-91.26.9110.3E13 A129 S133 Q134E13-R131 IonicContact OE1-NH1 3.25Å; E13-R131 PolarHBondContact OE1-NH1 3.13Å; E13-R131 VanDerWaalsContact OE1-NH1 3.13Å; A129-R131 VanDerWaalsContact C-N 3.3Å; R131-S133 PolarHBondContact O-N 3.05Å; R131-S133 VanDerWaalsContact O-N 3.09Å; R131-Q134 HydrophobicContact CB-CG 4.2Å; R131-Q134 WeakPolarHBondContact O-CB 3.3Å; R131-Q134 PolarHBondContact O-N 3.22Å
132S87.1Confident94Very high137 Ų13751.1 Ų51.196%0.95828%0.28SS*.THydrogen-bonded Turntrans-59.3-23.6177.755.90000113.9
133S89.9Confident94.1Very high102 Ų10250.4 Ų50.471%0.71327%0.274SS*.THydrogen-bonded Turntrans-80.7-12175.657.50000114.1R131R131-S133 PolarHBondContact O-N 3.05Å; R131-S133 VanDerWaalsContact O-N 3.09Å
134Q91.7Very high94.2Very high21 Ų2150.4 Ų50.410%0.09827%0.274CS..  trans-86.6126-179.2-72.6174.1-29.500110.8A129 R131A129-Q134 HydrophobicContact CB-CB 4.14Å; A129-Q134 WeakPolarHBondContact CB-O 3.45Å; R131-Q134 HydrophobicContact CB-CG 4.2Å; R131-Q134 WeakPolarHBondContact O-CB 3.3Å; R131-Q134 PolarHBondContact O-N 3.22Å
135N95.2Very high94.3Very high89 Ų8953.3 Ų53.348%0.47629%0.292SS..  trans-108.1110.5167.9-178.3-42.9000108.7I137 A138 R139N135-I137 VanDerWaalsContact C-N 3.29Å; N135-I137 PolarHBondContact O-N 2.69Å; N135-I137 WeakPolarHBondContact OD1-CB 3.36Å; N135-I137 PolarHBondContact OD1-N 2.8Å; N135-A138 HydrophobicContact CB-CB 3.95Å; N135-A138 PolarHBondContact O-N 3.14Å; N135-A138 VanDerWaalsContact O-N 3.12Å; N135-A138 PolarHBondContact OD1-N 3.08Å; N135-A138 VanDerWaalsContact OD1-N 3.12Å; N135-R139 WeakPolarHBondContact O-CG 3.13Å; N135-R139 PolarHBondContact O-N 3.1Å
136P95.4Very high94.4Very high30 Ų3053.1 Ų53.120%0.19529%0.293CS..Hα-helixtrans-56.2-40.9-176.9-29.437.6000113.2C127 A129 A138 R139 L140C127-P136 WeakPolarHBondContact O-CB 3.32Å; A129-P136 HydrophobicContact CB-CG 3.92Å; P136-A138 PolarHBondContact O-N 3.23Å; P136-R139 PolarHBondContact O-N 3.45Å; P136-L140 WeakPolarHBondContact O-CB 3.5Å; P136-L140 VanDerWaalsContact O-CG 3.31Å; P136-L140 WeakPolarHBondContact O-CG 3.26Å; P136-L140 PolarHBondContact O-N 3.07Å
137I96.6Very high94.5Very high71 Ų7152.8 Ų52.836%0.36429%0.292SS..Hα-helixtrans-63.8-43.8179.1-62.4178.5000110.7N135 R141 L171N135-I137 VanDerWaalsContact C-N 3.29Å; N135-I137 PolarHBondContact O-N 2.69Å; N135-I137 WeakPolarHBondContact OD1-CB 3.36Å; N135-I137 PolarHBondContact OD1-N 2.8Å; I137-R141 WeakPolarHBondContact O-CB 3.42Å; I137-R141 PolarHBondContact O-N 3.35Å; I137-L171 HydrophobicContact CG1-CD1 4.16Å; I137-L171 HydrophobicContact CG1-CD2 4.39Å
138A96.8Very high94.7Very high45 Ų4554.5 Ų54.537%0.37230%0.296SS..Hα-helixtrans-66.3-38.917800000112.1N135 P136 R141 R142N135-A138 HydrophobicContact CB-CB 3.95Å; N135-A138 PolarHBondContact O-N 3.14Å; N135-A138 VanDerWaalsContact O-N 3.12Å; N135-A138 PolarHBondContact OD1-N 3.08Å; N135-A138 VanDerWaalsContact OD1-N 3.12Å; P136-A138 PolarHBondContact O-N 3.23Å; A138-R141 PolarHBondContact O-N 2.89Å; A138-R142 WeakPolarHBondContact O-CB 3.33Å; A138-R142 PolarHBondContact O-N 2.93Å
139R97.6Very high95Very high34 Ų3456.4 Ų56.413%0.12831%0.311CS..Hα-helixtrans-63.8-49176.1-70.8171.665.177.6-1.1111.3D102 N135 P136 R141 R142 F143D102-R139 VanDerWaalsContact CG-NH2 3.28Å; D102-R139 IonicContact OD1-CZ 2.79Å; D102-R139 IonicContact OD1-NH1 3.97Å; D102-R139 IonicContact OD1-NH2 3.66Å; D102-R139 PolarHBondContact OD1-NH2 2.86Å; D102-R139 IonicContact OD2-CZ 2.92Å; D102-R139 IonicContact OD2-NH1 2.8Å; D102-R139 PolarHBondContact OD2-NH1 3.19Å; D102-R139 IonicContact OD2-NH2 3.67Å; D102-R139 PolarHBondContact OD2-NH2 2.8Å; N135-R139 WeakPolarHBondContact O-CG 3.13Å; N135-R139 PolarHBondContact O-N 3.1Å; P136-R139 PolarHBondContact O-N 3.45Å; R139-R141 VanDerWaalsContact C-N 3.32Å; R139-R141 PolarHBondContact O-N 3.17Å; R139-R142 PolarHBondContact O-N 2.72Å; R139-F143 WeakPolarHBondContact O-CB 3.47Å; R139-F143 PolarHBondContact O-N 3.34Å
140L98Very high95.4Very high1 Ų153.8 Ų53.81%0.00529%0.29CS..Hα-helixtrans-58-43.9175-74.4174.9000112L126 P136 F143 F144 L171 L172 E175L126-L140 HydrophobicContact CB-CD2 3.56Å; L126-L140 HydrophobicContact CB-CG 4.24Å; L126-L140 HydrophobicContact CD1-CD2 4.07Å; L126-L140 HydrophobicContact CG-CD2 4.49Å; P136-L140 WeakPolarHBondContact O-CB 3.5Å; P136-L140 VanDerWaalsContact O-CG 3.31Å; P136-L140 WeakPolarHBondContact O-CG 3.26Å; P136-L140 PolarHBondContact O-N 3.07Å; L140-F143 WeakPolarHBondContact O-CB 3.35Å; L140-F143 PolarHBondContact O-N 2.9Å; L140-F144 HydrophobicContact CD2-CE2 4.28Å; L140-F144 VanDerWaalsContact O-CD2 3.25Å; L140-F144 WeakPolarHBondContact O-CD2 3.12Å; L140-F144 PolarHBondContact O-N 3.45Å; L140-L171 HydrophobicContact CD1-CD2 3.96Å; L140-L171 HydrophobicContact CD1-CG 4.02Å; L140-L172 HydrophobicContact CD1-CD2 4.1Å; L140-L172 HydrophobicContact CD2-CD2 3.47Å; L140-L172 VanDerWaalsContact CD2-CD2 3.47Å; L140-L172 HydrophobicContact CG-CD2 4.43Å; L140-E175 HydrophobicContact CB-CB 4.3Å; L140-E175 HydrophobicContact CB-CG 4.28Å
141R97.8Very high96Very high74 Ų7451.5 Ų51.528%0.27928%0.277SS..Hα-helixtrans-60.4-48.1176.8-171.5171.9-58.11218.6112.1I137 A138 R139 F143 F144 V145 E175 R178I137-R141 WeakPolarHBondContact O-CB 3.42Å; I137-R141 PolarHBondContact O-N 3.35Å; A138-R141 PolarHBondContact O-N 2.89Å; R139-R141 VanDerWaalsContact C-N 3.32Å; R139-R141 PolarHBondContact O-N 3.17Å; R141-F143 VanDerWaalsContact C-N 3.31Å; R141-F143 PolarHBondContact O-N 3.3Å; R141-F144 PolarHBondContact O-N 3.13Å; R141-V145 HydrophobicContact CG-CG2 4.41Å; R141-V145 WeakPolarHBondContact O-CB 3.46Å; R141-V145 VanDerWaalsContact O-CG2 3.25Å; R141-V145 WeakPolarHBondContact O-CG2 3.25Å; R141-V145 PolarHBondContact O-N 2.91Å; R141-E175 WeakPolarHBondContact CB-OE2 3.3Å; R141-E175 IonicContact CZ-OE1 3.63Å; R141-E175 IonicContact CZ-OE2 3.63Å; R141-E175 IonicContact NE-OE1 3.46Å; R141-E175 IonicContact NE-OE2 2.77Å; R141-E175 PolarHBondContact NE-OE2 3.11Å; R141-E175 IonicContact NH2-OE1 3.97Å; R141-E175 PolarHBondContact NH2-OE1 2.97Å; R141-E175 IonicContact NH2-OE2 2.97Å; R141-E175 PolarHBondContact NH2-OE2 3.18Å; R141-R178 VanDerWaalsContact CZ-NH1 3.29Å
142R98.1Very high96.5Very high154 Ų15447.9 Ų47.958%0.58127%0.268SS*.Hα-helixtrans-60.7-44.8179.4-175.663.5177.4173.70.8110.7C105 A138 R139 S146C105-R142 VanDerWaalsContact C-CG 3.49Å; C105-R142 WeakPolarHBondContact O-CG 3.37Å; C105-R142 PolarHBondContact O-NE 3.47Å; A138-R142 WeakPolarHBondContact O-CB 3.33Å; A138-R142 PolarHBondContact O-N 2.93Å; R139-R142 PolarHBondContact O-N 2.72Å; R142-S146 WeakPolarHBondContact O-CB 3.32Å; R142-S146 PolarHBondContact O-N 3.34Å; R142-S146 VanDerWaalsContact O-N 3.13Å; R142-S146 PolarHBondContact O-OG 3.01Å; R142-S146 VanDerWaalsContact O-OG 3.09Å
143F98.6Very high96.8Very high0 Ų050.8 Ų50.80%026%0.258CS..Hα-helixtrans-56-60.6174.9171.1-111.7000111.8I58 L103 L107 I123 L126 R139 L140 R141 V145 S146 L147 F159I58-F143 HydrophobicContact CD1-CE2 4.12Å; I58-F143 HydrophobicContact CD1-CZ 3.93Å; I58-F143 HydrophobicContact CG2-CE2 3.72Å; I58-F143 HydrophobicContact CG2-CZ 3.83Å; L103-F143 HydrophobicContact CB-CD2 3.93Å; L103-F143 HydrophobicContact CB-CE2 4.27Å; L103-F143 HydrophobicContact CD1-CE2 4.48Å; L103-F143 HydrophobicContact CD2-CE2 4.34Å; L103-F143 WeakPolarHBondContact O-CB 3.35Å; L107-F143 HydrophobicContact CD1-CE2 4.22Å; L107-F143 HydrophobicContact CD2-CE2 4.5Å; L107-F143 HydrophobicContact CG-CD2 4.44Å; L107-F143 HydrophobicContact CG-CE2 4.42Å; I123-F143 HydrophobicContact CG2-CE1 4.08Å; I123-F143 HydrophobicContact CG2-CZ 4.19Å; L126-F143 HydrophobicContact CD1-CB 4.01Å; L126-F143 HydrophobicContact CD1-CD1 3.96Å; L126-F143 HydrophobicContact CD1-CD2 4.34Å; L126-F143 HydrophobicContact CD1-CG 3.83Å; R139-F143 WeakPolarHBondContact O-CB 3.47Å; R139-F143 PolarHBondContact O-N 3.34Å; L140-F143 WeakPolarHBondContact O-CB 3.35Å; L140-F143 PolarHBondContact O-N 2.9Å; R141-F143 VanDerWaalsContact C-N 3.31Å; R141-F143 PolarHBondContact O-N 3.3Å; F143-V145 PolarHBondContact O-N 3.48Å; F143-S146 PolarHBondContact O-N 3.24Å; F143-S146 PolarHBondContact O-OG 2.84Å; F143-L147 HydrophobicContact CZ-CD2 4.26Å; F143-L147 WeakPolarHBondContact O-CB 3.46Å; F143-L147 PolarHBondContact O-N 3.44Å; F143-F159 HydrophobicContact CE1-CE1 4.05Å; F143-F159 AromaticContact CZ-CE1 3.86Å; F143-F159 HydrophobicContact CZ-CE1 3.86Å
144F98.6Very high96.9Very high0 Ų047.1 Ų47.10%024%0.236CC..Hα-helixtrans-64.1-36.6-175.2-75.9-62.3000113.4L140 R141 L147 Y148 F159 L172 E175 A176 A179 F181 L200 L202L140-F144 HydrophobicContact CD2-CE2 4.28Å; L140-F144 VanDerWaalsContact O-CD2 3.25Å; L140-F144 WeakPolarHBondContact O-CD2 3.12Å; L140-F144 PolarHBondContact O-N 3.45Å; R141-F144 PolarHBondContact O-N 3.13Å; F144-L147 PolarHBondContact O-N 3.27Å; F144-Y148 VanDerWaalsContact O-CB 3.31Å; F144-Y148 WeakPolarHBondContact O-CB 3.16Å; F144-Y148 PolarHBondContact O-N 2.7Å; F144-F159 HydrophobicContact CE1-CE2 4.41Å; F144-F159 HydrophobicContact CE1-CZ 4.25Å; F144-L172 HydrophobicContact CE2-CD2 4.21Å; F144-L172 HydrophobicContact CZ-CD2 4.3Å; F144-E175 HydrophobicContact CD2-CB 3.93Å; F144-E175 HydrophobicContact CE2-CB 4.29Å; F144-A176 HydrophobicContact CD1-CB 3.91Å; F144-A176 HydrophobicContact CD2-CB 4.31Å; F144-A176 HydrophobicContact CE1-CB 3.82Å; F144-A176 HydrophobicContact CE2-CB 4.2Å; F144-A176 HydrophobicContact CG-CB 4.17Å; F144-A176 HydrophobicContact CZ-CB 3.97Å; F144-A179 HydrophobicContact CB-CB 3.68Å; F144-F181 HydrophobicContact CB-CE2 4.5Å; F144-F181 HydrophobicContact CD1-CD2 4.4Å; F144-F181 HydrophobicContact CD1-CE2 4.16Å; F144-L200 HydrophobicContact CZ-CD2 4.34Å; F144-L202 HydrophobicContact CD1-CD1 4.25Å; F144-L202 HydrophobicContact CE1-CD1 3.85Å
145V98.3Very high97.1Very high65 Ų6546.3 Ų46.339%0.39423%0.233SC..Hα-helixtrans-63.2-44.7175.7169.10000111.4R141 F143 S149 A179R141-V145 HydrophobicContact CG-CG2 4.41Å; R141-V145 WeakPolarHBondContact O-CB 3.46Å; R141-V145 VanDerWaalsContact O-CG2 3.25Å; R141-V145 WeakPolarHBondContact O-CG2 3.25Å; R141-V145 PolarHBondContact O-N 2.91Å; F143-V145 PolarHBondContact O-N 3.48Å; V145-S149 PolarHBondContact O-N 2.96Å; V145-S149 VanDerWaalsContact O-N 3.14Å; V145-S149 PolarHBondContact O-OG 2.91Å; V145-A179 HydrophobicContact CG2-CB 4.07Å
146S98.5Very high97.2Very high16 Ų1642.7 Ų42.711%0.11221%0.213CC..Hα-helixtrans-68.1-37.5178.365.70000112.3G106 L107 R142 F143 S149 S150G106-S146 VanDerWaalsContact CA-OG 3.32Å; G106-S146 WeakPolarHBondContact CA-OG 3.31Å; L107-S146 VanDerWaalsContact N-CB 3.35Å; L107-S146 PolarHBondContact N-OG 3.09Å; R142-S146 WeakPolarHBondContact O-CB 3.32Å; R142-S146 PolarHBondContact O-N 3.34Å; R142-S146 VanDerWaalsContact O-N 3.13Å; R142-S146 PolarHBondContact O-OG 3.01Å; R142-S146 VanDerWaalsContact O-OG 3.09Å; F143-S146 PolarHBondContact O-N 3.24Å; F143-S146 PolarHBondContact O-OG 2.84Å; S146-S149 PolarHBondContact O-N 2.95Å; S146-S150 WeakPolarHBondContact O-CB 3.42Å; S146-S150 PolarHBondContact O-N 3.46Å; S146-S150 PolarHBondContact O-OG 2.84Å
147L98.7Very high97.3Very high0 Ų041.3 Ų41.30%020%0.203CC..Hα-helixtrans-65.3-48.8175.2179.165000111.8L56 I58 L107 A117 F143 F144 S149 S150 L151 A157 F159 F181L56-L147 HydrophobicContact CD2-CD1 3.83Å; I58-L147 HydrophobicContact CD1-CD1 3.67Å; I58-L147 HydrophobicContact CD1-CD2 4.08Å; I58-L147 HydrophobicContact CD1-CG 4.48Å; L107-L147 HydrophobicContact CD1-CB 3.72Å; L107-L147 HydrophobicContact CD1-CD1 3.65Å; L107-L147 HydrophobicContact CD1-CG 4.27Å; A117-L147 HydrophobicContact CB-CD1 3.97Å; F143-L147 HydrophobicContact CZ-CD2 4.26Å; F143-L147 WeakPolarHBondContact O-CB 3.46Å; F143-L147 PolarHBondContact O-N 3.44Å; F144-L147 PolarHBondContact O-N 3.27Å; L147-S149 PolarHBondContact O-N 3.41Å; L147-S150 PolarHBondContact O-N 3.45Å; L147-L151 HydrophobicContact CD1-CD1 3.96Å; L147-L151 HydrophobicContact CD1-CG 4.11Å; L147-L151 HydrophobicContact CD2-CD1 4.44Å; L147-L151 HydrophobicContact CG-CD1 3.88Å; L147-L151 HydrophobicContact CG-CG 4.44Å; L147-L151 WeakPolarHBondContact O-CG 3.34Å; L147-L151 PolarHBondContact O-N 3.33Å; L147-A157 HydrophobicContact CD2-CB 4.14Å; L147-F159 HydrophobicContact CD2-CE1 4.11Å; L147-F159 HydrophobicContact CD2-CE2 4.45Å; L147-F159 HydrophobicContact CD2-CZ 3.44Å; L147-F159 VanDerWaalsContact CD2-CZ 3.44Å; L147-F181 HydrophobicContact CB-CZ 4.42Å; L147-F181 HydrophobicContact CD2-CE2 4.35Å; L147-F181 HydrophobicContact CD2-CZ 3.93Å; L147-F181 HydrophobicContact CG-CZ 3.94Å
148Y98.2Very high97.4Very high55 Ų5537.9 Ų37.922%0.21619%0.186CC..Hα-helixtrans-54.3-42.5177.9-174-91000111F144 G180 F181 V204 C205F144-Y148 VanDerWaalsContact O-CB 3.31Å; F144-Y148 WeakPolarHBondContact O-CB 3.16Å; F144-Y148 PolarHBondContact O-N 2.7Å; Y148-G180 WeakPolarHBondContact CE2-O 3.43Å; Y148-F181 VanDerWaalsContact CA-CZ 3.49Å; Y148-F181 AromaticContact CD2-CD1 3.89Å; Y148-F181 HydrophobicContact CD2-CD1 3.89Å; Y148-F181 AromaticContact CD2-CD2 3.91Å; Y148-F181 HydrophobicContact CD2-CD2 3.91Å; Y148-F181 AromaticContact CD2-CE1 3.9Å; Y148-F181 HydrophobicContact CD2-CE1 3.9Å; Y148-F181 AromaticContact CD2-CE2 3.9Å; Y148-F181 HydrophobicContact CD2-CE2 3.9Å; Y148-F181 AromaticContact CD2-CG 3.91Å; Y148-F181 HydrophobicContact CD2-CG 3.91Å; Y148-F181 AromaticContact CD2-CZ 3.89Å; Y148-F181 HydrophobicContact CD2-CZ 3.89Å; Y148-F181 HydrophobicContact CE2-CD1 4.43Å; Y148-F181 HydrophobicContact CG-CE2 4.29Å; Y148-F181 HydrophobicContact CG-CZ 4.34Å; Y148-V204 HydrophobicContact CD2-CG1 4.49Å; Y148-V204 HydrophobicContact CD2-CG2 4.35Å; Y148-V204 HydrophobicContact CE2-CB 4.48Å; Y148-V204 HydrophobicContact CE2-CG1 3.98Å; Y148-V204 HydrophobicContact CE2-CG2 4.44Å; Y148-C205 PolarHBondContact OH-SG 3.23Å
149S97.7Very high97.5Very high65 Ų6535.8 Ų35.846%0.45517%0.168SC..Hα-helixtrans-64.6-39.7176.8-56.10000112.2G111 G112 V145 S146 L147 L151G111-S149 CarbonylContact C-O 3.54Å; G111-S149 WeakPolarHBondContact CA-O 3.45Å; G112-S149 PolarHBondContact N-O 2.83Å; V145-S149 PolarHBondContact O-N 2.96Å; V145-S149 VanDerWaalsContact O-N 3.14Å; V145-S149 PolarHBondContact O-OG 2.91Å; S146-S149 PolarHBondContact O-N 2.95Å; L147-S149 PolarHBondContact O-N 3.41Å; S149-L151 VanDerWaalsContact C-N 3.29Å; S149-L151 PolarHBondContact O-N 3.03Å
150S98.4Very high97.6Very high1 Ų134.1 Ų34.11%0.00716%0.162CC..Hα-helixtrans-73-17.9-175-57.20000113.9G112 S113 F114 S146 L147G112-S150 CarbonylContact C-O 3.53Å; G112-S150 PolarHBondContact N-O 2.83Å; S113-S150 PolarHBondContact N-O 3.41Å; F114-S150 PolarHBondContact N-O 3.48Å; F114-S150 VanDerWaalsContact N-O 3.11Å; S146-S150 WeakPolarHBondContact O-CB 3.42Å; S146-S150 PolarHBondContact O-N 3.46Å; S146-S150 PolarHBondContact O-OG 2.84Å; L147-S150 PolarHBondContact O-N 3.45Å
151L98.3Very high97.5Very high8 Ų834.1 Ų34.14%0.04216%0.162CC..EExtended strand (participates in β ladder)trans-92.4146.3-176.5-71.6169.8000112.6F114 A117 L147 S149 A155 A157 F181 V204F114-L151 HydrophobicContact CB-CD2 3.98Å; F114-L151 WeakPolarHBondContact O-CA 3.3Å; A117-L151 HydrophobicContact CB-CD2 4.01Å; L147-L151 HydrophobicContact CD1-CD1 3.96Å; L147-L151 HydrophobicContact CD1-CG 4.11Å; L147-L151 HydrophobicContact CD2-CD1 4.44Å; L147-L151 HydrophobicContact CG-CD1 3.88Å; L147-L151 HydrophobicContact CG-CG 4.44Å; L147-L151 WeakPolarHBondContact O-CG 3.34Å; L147-L151 PolarHBondContact O-N 3.33Å; S149-L151 VanDerWaalsContact C-N 3.29Å; S149-L151 PolarHBondContact O-N 3.03Å; L151-A155 HydrophobicContact CB-CB 4.1Å; L151-A155 HydrophobicContact CD2-CB 4.18Å; L151-A157 HydrophobicContact CD1-CB 3.97Å; L151-F181 HydrophobicContact CD1-CE1 3.79Å; L151-F181 HydrophobicContact CD1-CZ 3.9Å; L151-V204 HydrophobicContact CB-CG2 3.71Å; L151-V204 HydrophobicContact CD1-CG2 3.8Å; L151-V204 HydrophobicContact CG-CG2 4.42Å
152T96.7Very high97.4Very high38 Ų3834.4 Ų34.423%0.23316%0.164CC..EExtended strand (participates in β ladder)trans-72.4160174.360.20000111.5G112 F114 G154 A155G112-T152 VanDerWaalsContact O-CG2 3.28Å; G112-T152 WeakPolarHBondContact O-CG2 3.41Å; F114-T152 PolarHBondContact O-N 3.14Å; F114-T152 PolarHBondContact O-OG1 2.79Å; T152-G154 PolarHBondContact O-N 2.83Å; T152-A155 WeakPolarHBondContact O-CB 3.35Å; T152-A155 PolarHBondContact O-N 2.92Å; T152-A155 VanDerWaalsContact O-N 3.12Å
153R93.8Very high97.3Very high198 Ų19828.1 Ų28.175%0.74714%0.143SC*.EExtended strand (participates in β ladder)trans-64.8129.2176.6-67.2179.16276.81.4109.9A155R153-A155 VanDerWaalsContact C-N 3.29Å
154G92.2Very high97Very high24 Ų2432.9 Ų32.925%0.24717%0.165CC..EExtended strand (participates in β ladder)trans84-1-176.500000114.5T152 V204T152-G154 PolarHBondContact O-N 2.83Å; G154-V204 WeakPolarHBondContact CA-O 3.32Å; G154-V204 PolarHBondContact N-O 3.42Å
155A96Very high96.7Very high4 Ų435.7 Ų35.73%0.03319%0.185CC..EExtended strand (participates in β ladder)trans-66.2157.6170.300000111.5D115 L151 T152 R153 V204D115-A155 WeakPolarHBondContact O-CA 3.42Å; D115-A155 WeakPolarHBondContact O-CB 3.18Å; L151-A155 HydrophobicContact CB-CB 4.1Å; L151-A155 HydrophobicContact CD2-CB 4.18Å; T152-A155 WeakPolarHBondContact O-CB 3.35Å; T152-A155 PolarHBondContact O-N 2.92Å; T152-A155 VanDerWaalsContact O-N 3.12Å; R153-A155 VanDerWaalsContact C-N 3.29Å; A155-V204 PolarHBondContact O-N 3.36Å
156R96.9Very high96.4Very high14 Ų1437.7 Ų37.75%0.05320%0.197CC..EExtended strand (participates in β ladder)trans-115.1151.9171.4-74.7-173.6178.9171.4-1.9111.5L44 L45 A46 G116 A117 L202 D203 R209L44-R156 PolarHBondContact O-NH1 3.45Å; L44-R156 VanDerWaalsContact O-NH1 3.16Å; L45-R156 HydrophobicContact CD2-CB 3.75Å; L45-R156 WeakPolarHBondContact CD2-O 3.29Å; L45-R156 WeakPolarHBondContact O-CD 3.36Å; A46-R156 VanDerWaalsContact CB-NH1 3.31Å; G116-R156 CarbonylContact C-O 3.55Å; G116-R156 WeakPolarHBondContact CA-O 3.33Å; A117-R156 PolarHBondContact N-O 3.35Å; R156-L202 CarbonylContact C-O 3.54Å; R156-L202 WeakPolarHBondContact CA-O 3.39Å; R156-D203 VanDerWaalsContact CG-OD1 3.26Å; R156-D203 WeakPolarHBondContact CG-OD1 3.38Å; R156-D203 IonicContact CZ-OD1 2.91Å; R156-D203 IonicContact NE-OD1 3.74Å; R156-D203 PolarHBondContact NE-OD1 3.4Å; R156-D203 IonicContact NH2-OD1 3.84Å; R156-R209 PolarHBondContact NH2-O 3.44Å; R156-R209 VanDerWaalsContact NH2-O 3.07Å
157A98.4Very high96.2Very high0 Ų042.2 Ų42.20%022%0.223CC..EExtended strand (participates in β ladder)trans-122.6130.2166.300000109.5A117 L147 L151 F159 L202A117-A157 HydrophobicContact CB-CB 4.04Å; A117-A157 CarbonylContact O-C 3.58Å; A117-A157 WeakPolarHBondContact O-CA 3.36Å; L147-A157 HydrophobicContact CD2-CB 4.14Å; L151-A157 HydrophobicContact CD1-CB 3.97Å; A157-F159 HydrophobicContact CB-CE2 3.53Å; A157-F159 HydrophobicContact CB-CZ 3.66Å; A157-L202 HydrophobicContact CB-CB 4.36Å; A157-L202 PolarHBondContact N-O 3.41Å; A157-L202 PolarHBondContact O-N 3.01Å
158V98.7Very high96.1Very high0 Ų043.1 Ų43.10%023%0.228CC..EExtended strand (participates in β ladder)trans-122.4120.3-177.9178.60000109.8A41 L44 L45 A117 I118 S119 F199 L200 V201A41-V158 HydrophobicContact CB-CB 4.38Å; A41-V158 HydrophobicContact CB-CG1 3.84Å; L44-V158 HydrophobicContact CB-CG1 4.07Å; L44-V158 HydrophobicContact CB-CG2 3.76Å; L44-V158 HydrophobicContact CD1-CG1 4.06Å; L45-V158 HydrophobicContact CD2-CB 4.41Å; L45-V158 HydrophobicContact CD2-CG2 3.83Å; L45-V158 HydrophobicContact CG-CG2 4.08Å; A117-V158 PolarHBondContact O-N 3Å; I118-V158 CarbonylContact C-O 3.44Å; I118-V158 VanDerWaalsContact CA-O 3.25Å; I118-V158 WeakPolarHBondContact CA-O 3.43Å; S119-V158 PolarHBondContact N-O 2.91Å; V158-F199 HydrophobicContact CG1-CD1 3.94Å; V158-L200 WeakPolarHBondContact CA-O 3.25Å; V158-V201 HydrophobicContact CG1-CG2 4.38Å; V158-V201 HydrophobicContact CG2-CG1 4.23Å; V158-V201 HydrophobicContact CG2-CG2 4.28Å
159F98.6Very high96Very high0 Ų040.8 Ų40.80%022%0.22CC..EExtended strand (participates in β ladder)trans-114.1112.3-179.3-50.2-94.2000109.4I58 S119 I123 F143 F144 L147 A157 F199 L200 L202I58-F159 HydrophobicContact CD1-CE1 4.08Å; S119-F159 VanDerWaalsContact CB-CD1 3.4Å; S119-F159 CarbonylContact O-C 3.58Å; S119-F159 WeakPolarHBondContact O-CA 3.39Å; I123-F159 HydrophobicContact CD1-CB 3.47Å; I123-F159 VanDerWaalsContact CD1-CB 3.47Å; I123-F159 HydrophobicContact CD1-CD1 4Å; I123-F159 HydrophobicContact CD1-CG 3.86Å; I123-F159 HydrophobicContact CG1-CB 4.15Å; I123-F159 HydrophobicContact CG1-CD1 4.41Å; I123-F159 HydrophobicContact CG2-CD1 3.48Å; I123-F159 VanDerWaalsContact CG2-CD1 3.48Å; I123-F159 HydrophobicContact CG2-CE1 4.06Å; I123-F159 HydrophobicContact CG2-CG 4.42Å; F143-F159 HydrophobicContact CE1-CE1 4.05Å; F143-F159 AromaticContact CZ-CE1 3.86Å; F143-F159 HydrophobicContact CZ-CE1 3.86Å; F144-F159 HydrophobicContact CE1-CE2 4.41Å; F144-F159 HydrophobicContact CE1-CZ 4.25Å; L147-F159 HydrophobicContact CD2-CE1 4.11Å; L147-F159 HydrophobicContact CD2-CE2 4.45Å; L147-F159 HydrophobicContact CD2-CZ 3.44Å; L147-F159 VanDerWaalsContact CD2-CZ 3.44Å; A157-F159 HydrophobicContact CB-CE2 3.53Å; A157-F159 HydrophobicContact CB-CZ 3.66Å; F159-F199 CarbonylContact O-C 3.57Å; F159-F199 WeakPolarHBondContact O-CA 3.49Å; F159-L200 HydrophobicContact CB-CB 4.19Å; F159-L200 HydrophobicContact CD2-CB 4.18Å; F159-L200 HydrophobicContact CD2-CD2 4.24Å; F159-L200 HydrophobicContact CD2-CG 4.29Å; F159-L200 WeakPolarHBondContact CD2-O 3.47Å; F159-L200 PolarHBondContact N-O 2.84Å; F159-L200 PolarHBondContact O-N 3.38Å; F159-L202 HydrophobicContact CD2-CD1 4.24Å; F159-L202 HydrophobicContact CD2-CG 4.43Å; F159-L202 HydrophobicContact CE2-CD1 3.58Å; F159-L202 HydrophobicContact CE2-CG 4.04Å; F159-L202 HydrophobicContact CZ-CD1 4.4Å
160Q98.3Very high95.9Very high0 Ų041.1 Ų41.10%022%0.216CC..EExtended strand (participates in β ladder)trans-83.9130.6160.5-173.1-85.2-41.300109.3I37 S119 I120 S121 Y198 F199I37-Q160 HydrophobicContact CG2-CB 3.62Å; I37-Q160 HydrophobicContact CG2-CG 3.46Å; I37-Q160 VanDerWaalsContact CG2-CG 3.46Å; S119-Q160 PolarHBondContact O-N 3.2Å; I120-Q160 HydrophobicContact CD1-CB 4.15Å; I120-Q160 HydrophobicContact CG2-CB 4.48Å; S121-Q160 PolarHBondContact N-O 2.91Å; S121-Q160 VanDerWaalsContact N-OE1 3.1Å; S121-Q160 PolarHBondContact OG-OE1 3.09Å; Q160-Y198 WeakPolarHBondContact CA-O 3.49Å; Q160-F199 HydrophobicContact CB-CD1 3.76Å; Q160-F199 HydrophobicContact CB-CE1 3.58Å; Q160-F199 HydrophobicContact CB-CZ 4.32Å; Q160-F199 HydrophobicContact CG-CD1 4.23Å; Q160-F199 HydrophobicContact CG-CE1 3.85Å; Q160-F199 HydrophobicContact CG-CZ 4.07Å
161F97.7Very high95.8Very high1 Ų143.2 Ų43.20%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-150.4173.4179.868.7-72.2000112.2I123 Q124 P163 A169 L172 L185 Y198 L200I123-F161 HydrophobicContact CD1-CB 3.99Å; I123-F161 HydrophobicContact CD1-CD1 3.95Å; I123-F161 HydrophobicContact CD1-CD2 4.48Å; I123-F161 HydrophobicContact CD1-CG 3.91Å; I123-F161 HydrophobicContact CG1-CB 3.6Å; I123-F161 HydrophobicContact CG1-CG 4.07Å; Q124-F161 HydrophobicContact CB-CB 4.49Å; F161-P163 HydrophobicContact CD2-CB 4.28Å; F161-P163 HydrophobicContact CD2-CG 4.39Å; F161-P163 HydrophobicContact CE2-CB 3.79Å; F161-P163 HydrophobicContact CE2-CG 3.95Å; F161-A169 HydrophobicContact CE2-CB 4.28Å; F161-A169 HydrophobicContact CZ-CB 4.21Å; F161-L172 HydrophobicContact CD2-CD1 3.6Å; F161-L172 HydrophobicContact CE2-CD1 3.35Å; F161-L172 HydrophobicContact CG-CD1 4.36Å; F161-L172 HydrophobicContact CZ-CD1 3.95Å; F161-L185 HydrophobicContact CE1-CD1 3.8Å; F161-L185 HydrophobicContact CZ-CD1 3.81Å; F161-Y198 PolarHBondContact N-O 3Å; F161-L200 HydrophobicContact CE1-CB 3.87Å
162Y95.3Very high95.7Very high79 Ų7942.8 Ų42.831%0.3123%0.225SC..  trans-117.193.2176.5-58.5-73.7000109.5R5 S121R5-Y162 PolarHBondContact NH1-O 2.75Å; R5-Y162 PolarHBondContact NH2-O 2.76Å; S121-Y162 WeakPolarHBondContact OG-CE2 3.2Å
163P94.9Very high95.7Very high22 Ų2243.6 Ų43.614%0.14323%0.226CC..  trans-64.2141.717622.5-28.9000111.4R5 F161 Q168 A169 Y198R5-P163 PolarHBondContact NH1-O 3.35Å; F161-P163 HydrophobicContact CD2-CB 4.28Å; F161-P163 HydrophobicContact CD2-CG 4.39Å; F161-P163 HydrophobicContact CE2-CB 3.79Å; F161-P163 HydrophobicContact CE2-CG 3.95Å; P163-Q168 VanDerWaalsContact CA-OE1 3.3Å; P163-A169 HydrophobicContact CB-CB 4.06Å; P163-A169 HydrophobicContact CG-CB 4.47Å; P163-Y198 HydrophobicContact CG-CD1 3.95Å; P163-Y198 HydrophobicContact CG-CD2 3.76Å; P163-Y198 HydrophobicContact CG-CE1 4.09Å; P163-Y198 HydrophobicContact CG-CE2 3.91Å; P163-Y198 HydrophobicContact CG-CG 3.77Å
164E92Very high95.9Very high101 Ų10139 Ų3947%0.47222%0.216SC..SBendtrans-77.1-32169.4-174.2170.1176.700112H8H8-E164 IonicContact CE1-OE1 2.81Å; H8-E164 PolarHBondContact CE1-OE1 2.74Å; H8-E164 IonicContact CE1-OE2 3.6Å; H8-E164 IonicContact NE2-OE1 3.13Å; H8-E164 PolarHBondContact NE2-OE1 3.12Å; H8-E164 IonicContact NE2-OE2 2.84Å; H8-E164 PolarHBondContact NE2-OE2 3.4Å
165S93.2Very high96.1Very high59 Ų5938.6 Ų38.641%0.41321%0.208SC..SBendtrans-150.9166.5177.364.80000110.3V167 Q168 A169S165-V167 PolarHBondContact O-N 3.26Å; S165-V167 PolarHBondContact OG-N 3.19Å; S165-Q168 PolarHBondContact O-N 2.94Å; S165-Q168 VanDerWaalsContact O-N 3.15Å; S165-Q168 PolarHBondContact OG-N 2.94Å; S165-A169 PolarHBondContact O-N 3.13Å
166V92.8Very high96.2Very high107 Ų10738.4 Ų38.465%0.64821%0.206SC*.Hα-helixtrans-57.8-38.8170.8-177.70000110.3Q168 A169 D170V166-Q168 VanDerWaalsContact C-N 3.29Å; V166-Q168 PolarHBondContact O-N 3.47Å; V166-A169 WeakPolarHBondContact O-CB 3.37Å; V166-A169 PolarHBondContact O-N 2.58Å; V166-A169 VanDerWaalsContact O-N 3.1Å; V166-D170 PolarHBondContact O-N 3.15Å
167V94.4Very high96.2Very high110 Ų11041.3 Ų41.367%0.66723%0.226SC*.Hα-helixtrans-59.3-38.5177.1-178.20000112.1S165 D170 L171S165-V167 PolarHBondContact O-N 3.26Å; S165-V167 PolarHBondContact OG-N 3.19Å; V167-D170 PolarHBondContact O-N 2.96Å; V167-L171 WeakPolarHBondContact O-CB 3.31Å; V167-L171 PolarHBondContact O-N 3.4Å
168Q95Very high96.1Very high20 Ų2049.4 Ų49.49%0.09326%0.256CS..Hα-helixtrans-69.4-38.8176.8-168.5-175.166.300111.8C127 P163 S165 V166 L171 L172C127-Q168 HydrophobicContact CB-CG 3.9Å; P163-Q168 VanDerWaalsContact CA-OE1 3.3Å; S165-Q168 PolarHBondContact O-N 2.94Å; S165-Q168 VanDerWaalsContact O-N 3.15Å; S165-Q168 PolarHBondContact OG-N 2.94Å; V166-Q168 VanDerWaalsContact C-N 3.29Å; V166-Q168 PolarHBondContact O-N 3.47Å; Q168-L171 PolarHBondContact O-N 3.09Å; Q168-L172 PolarHBondContact O-N 3.22Å
169A96.2Very high96.1Very high6 Ų650.2 Ų50.25%0.0526%0.263CS..Hα-helixtrans-63.8-43.517400000111.5F161 P163 S165 V166 L171 L172 Q173 L185F161-A169 HydrophobicContact CE2-CB 4.28Å; F161-A169 HydrophobicContact CZ-CB 4.21Å; P163-A169 HydrophobicContact CB-CB 4.06Å; P163-A169 HydrophobicContact CG-CB 4.47Å; S165-A169 PolarHBondContact O-N 3.13Å; V166-A169 WeakPolarHBondContact O-CB 3.37Å; V166-A169 PolarHBondContact O-N 2.58Å; V166-A169 VanDerWaalsContact O-N 3.1Å; A169-L171 VanDerWaalsContact C-N 3.35Å; A169-L171 PolarHBondContact O-N 3.38Å; A169-L172 PolarHBondContact O-N 3.4Å; A169-Q173 PolarHBondContact O-N 3.33Å; A169-Q173 VanDerWaalsContact O-N 3.07Å; A169-L185 HydrophobicContact CB-CD2 4.35Å
170D95.8Very high96Very high71 Ų7151.8 Ų51.838%0.3828%0.28SS..Hα-helixtrans-63.3-40.5176.6-67.8-21.5000111.4V166 V167 L172 Q173 N174V166-D170 PolarHBondContact O-N 3.15Å; V167-D170 PolarHBondContact O-N 2.96Å; D170-L172 PolarHBondContact O-N 3.33Å; D170-Q173 PolarHBondContact O-N 2.81Å; D170-N174 VanDerWaalsContact O-CB 3.29Å; D170-N174 WeakPolarHBondContact O-CB 3.32Å; D170-N174 PolarHBondContact O-N 2.86Å; D170-N174 PolarHBondContact O-ND2 2.99Å; D170-N174 VanDerWaalsContact O-ND2 3.1Å
171L96.2Very high95.9Very high45 Ų4552 Ų5224%0.23628%0.28CS..Hα-helixtrans-58.5-46.4175.9175.662.5000111.8I137 L140 V167 Q168 A169 N174 E175I137-L171 HydrophobicContact CG1-CD1 4.16Å; I137-L171 HydrophobicContact CG1-CD2 4.39Å; L140-L171 HydrophobicContact CD1-CD2 3.96Å; L140-L171 HydrophobicContact CD1-CG 4.02Å; V167-L171 WeakPolarHBondContact O-CB 3.31Å; V167-L171 PolarHBondContact O-N 3.4Å; Q168-L171 PolarHBondContact O-N 3.09Å; A169-L171 VanDerWaalsContact C-N 3.35Å; A169-L171 PolarHBondContact O-N 3.38Å; L171-N174 PolarHBondContact O-N 3.37Å; L171-E175 HydrophobicContact CD1-CG 4.17Å; L171-E175 PolarHBondContact O-N 3.05Å
172L97.4Very high95.8Very high0 Ų055.1 Ų55.10%030%0.3CS..Hα-helixtrans-60.9-45.9177.1-74.2166.2000111.4I123 L140 F144 F161 Q168 A169 D170 N174 A176 L200I123-L172 HydrophobicContact CD1-CD1 3.96Å; I123-L172 HydrophobicContact CD1-CD2 4.15Å; L140-L172 HydrophobicContact CD1-CD2 4.1Å; L140-L172 HydrophobicContact CD2-CD2 3.47Å; L140-L172 VanDerWaalsContact CD2-CD2 3.47Å; L140-L172 HydrophobicContact CG-CD2 4.43Å; F144-L172 HydrophobicContact CE2-CD2 4.21Å; F144-L172 HydrophobicContact CZ-CD2 4.3Å; F161-L172 HydrophobicContact CD2-CD1 3.6Å; F161-L172 HydrophobicContact CE2-CD1 3.35Å; F161-L172 HydrophobicContact CG-CD1 4.36Å; F161-L172 HydrophobicContact CZ-CD1 3.95Å; Q168-L172 PolarHBondContact O-N 3.22Å; A169-L172 PolarHBondContact O-N 3.4Å; D170-L172 PolarHBondContact O-N 3.33Å; L172-N174 VanDerWaalsContact C-N 3.34Å; L172-N174 PolarHBondContact O-N 3.2Å; L172-A176 VanDerWaalsContact O-CB 3.28Å; L172-A176 WeakPolarHBondContact O-CB 3.03Å; L172-A176 PolarHBondContact O-N 3.48Å; L172-L200 HydrophobicContact CB-CD2 4.34Å
173Q96.7Very high95.7Very high54 Ų5453 Ų5325%0.25230%0.302SS..Hα-helixtrans-63.8-39.2177.8-171.6174.710.100112.1A169 D170 T177 L200A169-Q173 PolarHBondContact O-N 3.33Å; A169-Q173 VanDerWaalsContact O-N 3.07Å; D170-Q173 PolarHBondContact O-N 2.81Å; Q173-T177 WeakPolarHBondContact O-CB 3.45Å; Q173-T177 PolarHBondContact O-N 3.03Å; Q173-T177 PolarHBondContact O-OG1 3.37Å; Q173-L200 HydrophobicContact CB-CD1 4.22Å; Q173-L200 HydrophobicContact CG-CD1 4.25Å
174N96.7Very high95.6Very high101 Ų10152.7 Ų52.754%0.5430%0.303SS..Hα-helixtrans-68.4-45.8179.9-73.3-28.7000112.2D170 L171 L172 A176 T177 R178D170-N174 VanDerWaalsContact O-CB 3.29Å; D170-N174 WeakPolarHBondContact O-CB 3.32Å; D170-N174 PolarHBondContact O-N 2.86Å; D170-N174 PolarHBondContact O-ND2 2.99Å; D170-N174 VanDerWaalsContact O-ND2 3.1Å; L171-N174 PolarHBondContact O-N 3.37Å; L172-N174 VanDerWaalsContact C-N 3.34Å; L172-N174 PolarHBondContact O-N 3.2Å; N174-A176 VanDerWaalsContact C-N 3.34Å; N174-T177 PolarHBondContact O-N 3.16Å; N174-R178 VanDerWaalsContact O-CB 3.32Å; N174-R178 WeakPolarHBondContact O-CB 3.43Å; N174-R178 PolarHBondContact O-N 3.18Å
175E97.7Very high95.8Very high16 Ų1650.8 Ų50.88%0.07530%0.296CS..Hα-helixtrans-69.3-33177.5-70.6-62.7148.300112L140 R141 F144 L171 R178 A179L140-E175 HydrophobicContact CB-CB 4.3Å; L140-E175 HydrophobicContact CB-CG 4.28Å; R141-E175 WeakPolarHBondContact CB-OE2 3.3Å; R141-E175 IonicContact CZ-OE1 3.63Å; R141-E175 IonicContact CZ-OE2 3.63Å; R141-E175 IonicContact NE-OE1 3.46Å; R141-E175 IonicContact NE-OE2 2.77Å; R141-E175 PolarHBondContact NE-OE2 3.11Å; R141-E175 IonicContact NH2-OE1 3.97Å; R141-E175 PolarHBondContact NH2-OE1 2.97Å; R141-E175 IonicContact NH2-OE2 2.97Å; R141-E175 PolarHBondContact NH2-OE2 3.18Å; F144-E175 HydrophobicContact CD2-CB 3.93Å; F144-E175 HydrophobicContact CE2-CB 4.29Å; L171-E175 HydrophobicContact CD1-CG 4.17Å; L171-E175 PolarHBondContact O-N 3.05Å; E175-R178 PolarHBondContact O-N 2.77Å; E175-R178 IonicContact OE1-NH1 3.8Å; E175-A179 PolarHBondContact O-N 3.47Å; E175-A179 VanDerWaalsContact O-N 3.12Å
176A97.8Very high96Very high0 Ų048.2 Ų48.20%028%0.277CS..Hα-helixtrans-61.6-49.9169.200000112F144 L172 N174 R178 A179 G180 F181 L202F144-A176 HydrophobicContact CD1-CB 3.91Å; F144-A176 HydrophobicContact CD2-CB 4.31Å; F144-A176 HydrophobicContact CE1-CB 3.82Å; F144-A176 HydrophobicContact CE2-CB 4.2Å; F144-A176 HydrophobicContact CG-CB 4.17Å; F144-A176 HydrophobicContact CZ-CB 3.97Å; L172-A176 VanDerWaalsContact O-CB 3.28Å; L172-A176 WeakPolarHBondContact O-CB 3.03Å; L172-A176 PolarHBondContact O-N 3.48Å; N174-A176 VanDerWaalsContact C-N 3.34Å; A176-R178 VanDerWaalsContact C-N 3.26Å; A176-R178 PolarHBondContact O-N 2.91Å; A176-A179 WeakPolarHBondContact O-CB 3.43Å; A176-A179 PolarHBondContact O-N 2.82Å; A176-A179 VanDerWaalsContact O-N 3.08Å; A176-G180 PolarHBondContact O-N 2.73Å; A176-F181 HydrophobicContact CB-CB 4.46Å; A176-F181 HydrophobicContact CB-CD2 4.37Å; A176-F181 WeakPolarHBondContact O-CB 3.17Å; A176-F181 WeakPolarHBondContact O-CD2 3.24Å; A176-F181 PolarHBondContact O-N 3.25Å; A176-L202 HydrophobicContact CB-CD1 3.51Å; A176-L202 HydrophobicContact CB-CD2 3.91Å; A176-L202 HydrophobicContact CB-CG 4.39Å
177T96.8Very high96.1Very high75 Ų7545.5 Ų45.546%0.4626%0.258SS..Hα-helixtrans-59.8-40.7178.4-56.90000111.1Q173 N174 A179 G180 F181Q173-T177 WeakPolarHBondContact O-CB 3.45Å; Q173-T177 PolarHBondContact O-N 3.03Å; Q173-T177 PolarHBondContact O-OG1 3.37Å; N174-T177 PolarHBondContact O-N 3.16Å; T177-A179 VanDerWaalsContact C-N 3.28Å; T177-A179 PolarHBondContact O-N 2.74Å; T177-G180 WeakPolarHBondContact O-CA 3.44Å; T177-G180 PolarHBondContact O-N 2.85Å; T177-F181 WeakPolarHBondContact CA-O 3.34Å
178R97.1Very high96.2Very high170 Ų17040.4 Ų40.464%0.64223%0.228SC*.Hα-helixtrans-62.5-33.1176.6-173.2175.1-176.2173.82.3113.2R141 N174 E175 A176 G180R141-R178 VanDerWaalsContact CZ-NH1 3.29Å; N174-R178 VanDerWaalsContact O-CB 3.32Å; N174-R178 WeakPolarHBondContact O-CB 3.43Å; N174-R178 PolarHBondContact O-N 3.18Å; E175-R178 PolarHBondContact O-N 2.77Å; E175-R178 IonicContact OE1-NH1 3.8Å; A176-R178 VanDerWaalsContact C-N 3.26Å; A176-R178 PolarHBondContact O-N 2.91Å; R178-G180 PolarHBondContact O-N 3.31Å
179A97.2Very high96.2Very high17 Ų1742.6 Ų42.614%0.1424%0.236CC..THydrogen-bonded Turntrans-72.5-10.5173.800000113.3F144 V145 E175 A176 T177 F181F144-A179 HydrophobicContact CB-CB 3.68Å; V145-A179 HydrophobicContact CG2-CB 4.07Å; E175-A179 PolarHBondContact O-N 3.47Å; E175-A179 VanDerWaalsContact O-N 3.12Å; A176-A179 WeakPolarHBondContact O-CB 3.43Å; A176-A179 PolarHBondContact O-N 2.82Å; A176-A179 VanDerWaalsContact O-N 3.08Å; T177-A179 VanDerWaalsContact C-N 3.28Å; T177-A179 PolarHBondContact O-N 2.74Å; A179-F181 HydrophobicContact CB-CD2 4.24Å
180G96Very high96Very high34 Ų3445 Ų4535%0.35125%0.25SS..THydrogen-bonded Turntrans107.92.6178.600000114.4Y148 A176 T177 R178Y148-G180 WeakPolarHBondContact CE2-O 3.43Å; A176-G180 PolarHBondContact O-N 2.73Å; T177-G180 WeakPolarHBondContact O-CA 3.44Å; T177-G180 PolarHBondContact O-N 2.85Å; R178-G180 PolarHBondContact O-N 3.31Å
181F97.3Very high95.9Very high3 Ų349 Ų491%0.01327%0.272CS..EExtended strand (participates in β ladder)trans-69.4146.8173.1-71.5-76.4000111.2F144 L147 Y148 L151 A176 T177 A179 L202 V204F144-F181 HydrophobicContact CB-CE2 4.5Å; F144-F181 HydrophobicContact CD1-CD2 4.4Å; F144-F181 HydrophobicContact CD1-CE2 4.16Å; L147-F181 HydrophobicContact CB-CZ 4.42Å; L147-F181 HydrophobicContact CD2-CE2 4.35Å; L147-F181 HydrophobicContact CD2-CZ 3.93Å; L147-F181 HydrophobicContact CG-CZ 3.94Å; Y148-F181 VanDerWaalsContact CA-CZ 3.49Å; Y148-F181 AromaticContact CD2-CD1 3.89Å; Y148-F181 HydrophobicContact CD2-CD1 3.89Å; Y148-F181 AromaticContact CD2-CD2 3.91Å; Y148-F181 HydrophobicContact CD2-CD2 3.91Å; Y148-F181 AromaticContact CD2-CE1 3.9Å; Y148-F181 HydrophobicContact CD2-CE1 3.9Å; Y148-F181 AromaticContact CD2-CE2 3.9Å; Y148-F181 HydrophobicContact CD2-CE2 3.9Å; Y148-F181 AromaticContact CD2-CG 3.91Å; Y148-F181 HydrophobicContact CD2-CG 3.91Å; Y148-F181 AromaticContact CD2-CZ 3.89Å; Y148-F181 HydrophobicContact CD2-CZ 3.89Å; Y148-F181 HydrophobicContact CE2-CD1 4.43Å; Y148-F181 HydrophobicContact CG-CE2 4.29Å; Y148-F181 HydrophobicContact CG-CZ 4.34Å; L151-F181 HydrophobicContact CD1-CE1 3.79Å; L151-F181 HydrophobicContact CD1-CZ 3.9Å; A176-F181 HydrophobicContact CB-CB 4.46Å; A176-F181 HydrophobicContact CB-CD2 4.37Å; A176-F181 WeakPolarHBondContact O-CB 3.17Å; A176-F181 WeakPolarHBondContact O-CD2 3.24Å; A176-F181 PolarHBondContact O-N 3.25Å; T177-F181 WeakPolarHBondContact CA-O 3.34Å; A179-F181 HydrophobicContact CB-CD2 4.24Å; F181-L202 HydrophobicContact CB-CB 4.04Å; F181-L202 HydrophobicContact CB-CD1 4.11Å; F181-L202 HydrophobicContact CB-CD2 4.16Å; F181-L202 HydrophobicContact CB-CG 4.34Å; F181-L202 HydrophobicContact CD1-CB 3.61Å; F181-L202 HydrophobicContact CD1-CD1 4.16Å; F181-L202 HydrophobicContact CD1-CG 4.49Å; F181-L202 HydrophobicContact CD2-CD1 3.91Å; F181-L202 HydrophobicContact CE1-CB 4.22Å; F181-L202 HydrophobicContact CE2-CD1 4.35Å; F181-L202 HydrophobicContact CG-CB 3.93Å; F181-L202 HydrophobicContact CG-CD1 3.81Å; F181-L202 HydrophobicContact CG-CG 4.36Å; F181-V204 HydrophobicContact CD1-CG2 4.03Å; F181-V204 HydrophobicContact CE1-CG2 3.51Å; F181-V204 HydrophobicContact CZ-CG2 4.43Å
182T95.5Very high95.7Very high68 Ų6848.4 Ų48.442%0.41727%0.272SS..EExtended strand (participates in β ladder)trans-106.8169.816155.20000109.1L202 D203T182-L202 CarbonylContact O-C 3.49Å; T182-L202 VanDerWaalsContact O-CA 3.26Å; T182-L202 WeakPolarHBondContact O-CA 3.45Å; T182-D203 PolarHBondContact N-O 3.41Å; T182-D203 VanDerWaalsContact N-O 3.1Å; T182-D203 PolarHBondContact O-N 3.4Å; T182-D203 PolarHBondContact OG1-O 2.65Å
183G93.6Very high95.1Very high35 Ų3555.3 Ų55.336%0.36131%0.314SS..EExtended strand (participates in β ladder)trans127.6-153.917500000112.3V201G183-V201 CarbonylContact C-O 3.53Å; G183-V201 VanDerWaalsContact CA-O 3.32Å; G183-V201 WeakPolarHBondContact CA-O 3.4Å
184G93.3Very high94.5Very high15 Ų1562.6 Ų62.616%0.15534%0.339CS..EExtended strand (participates in β ladder)trans179.8-173.4-177.200000115.4V201G184-V201 PolarHBondContact N-O 3.18Å; G184-V201 PolarHBondContact O-N 2.92Å
185L95.9Very high94.2Very high60 Ų6059.8 Ų59.831%0.31433%0.33SS..EExtended strand (participates in β ladder)trans-89.2126.9-175.9-166.169000111F161 A169 I187 Y198 F199F161-L185 HydrophobicContact CE1-CD1 3.8Å; F161-L185 HydrophobicContact CZ-CD1 3.81Å; A169-L185 HydrophobicContact CB-CD2 4.35Å; L185-I187 HydrophobicContact CD2-CD1 4.16Å; L185-I187 HydrophobicContact CD2-CG1 4.22Å; L185-I187 HydrophobicContact CG-CG1 4.17Å; L185-Y198 HydrophobicContact CD1-CD1 4.22Å; L185-Y198 HydrophobicContact CD2-CD1 3.93Å; L185-Y198 HydrophobicContact CD2-CE1 4.28Å; L185-Y198 HydrophobicContact CG-CD1 4.28Å; L185-F199 CarbonylContact C-O 3.39Å; L185-F199 WeakPolarHBondContact CA-O 3.34Å
186I96.3Very high94Very high6 Ų662.2 Ų62.23%0.03134%0.34CS..EExtended strand (participates in β ladder)trans-108.6128.5169.7-61-176.9000107.6L44 F199 V201 P211 P213L44-I186 HydrophobicContact CD2-CD1 3.79Å; I186-F199 HydrophobicContact CB-CB 4.31Å; I186-F199 PolarHBondContact N-O 2.88Å; I186-F199 PolarHBondContact O-N 2.96Å; I186-V201 HydrophobicContact CD1-CB 4.4Å; I186-V201 HydrophobicContact CD1-CG2 3.7Å; I186-V201 HydrophobicContact CG1-CG2 4.12Å; I186-P211 HydrophobicContact CD1-CB 3.93Å; I186-P211 HydrophobicContact CD1-CG 4.34Å; I186-P211 WeakPolarHBondContact CD1-O 3.27Å; I186-P213 HydrophobicContact CG2-CB 4.11Å; I186-P213 HydrophobicContact CG2-CG 4.17Å
187I96.3Very high94Very high49 Ų4964.1 Ų64.125%0.25135%0.348SS..EExtended strand (participates in β ladder)trans-116.2103.3178.2-52.3174.8000107.6L185 P190 K196 K197 Y198L185-I187 HydrophobicContact CD2-CD1 4.16Å; L185-I187 HydrophobicContact CD2-CG1 4.22Å; L185-I187 HydrophobicContact CG-CG1 4.17Å; I187-P190 HydrophobicContact CG2-CB 4.12Å; I187-K196 HydrophobicContact CG2-CD 4.21Å; I187-K196 HydrophobicContact CG2-CG 3.8Å; I187-K197 WeakPolarHBondContact CA-O 3.49Å; I187-Y198 HydrophobicContact CD1-CD1 3.94Å; I187-Y198 HydrophobicContact CD1-CE1 3.48Å; I187-Y198 VanDerWaalsContact CD1-CE1 3.48Å; I187-Y198 HydrophobicContact CG1-CD1 3.7Å; I187-Y198 HydrophobicContact CG1-CE1 3.77Å; I187-Y198 HydrophobicContact CG2-CD1 4.48Å; I187-Y198 HydrophobicContact CG2-CE1 4.32Å
188D96.3Very high94Very high4 Ų463.4 Ų63.42%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-75.5139.4172.8-72.9-16.3000109.1R40 K196 K197 F199 L214R40-D188 IonicContact CZ-OD1 4Å; R40-D188 IonicContact CZ-OD2 2.95Å; R40-D188 IonicContact NE-OD1 2.82Å; R40-D188 IonicContact NE-OD2 3.42Å; R40-D188 PolarHBondContact NE-OD2 3.47Å; R40-D188 IonicContact NH2-OD1 3.21Å; R40-D188 PolarHBondContact NH2-OD1 3.26Å; R40-D188 IonicContact NH2-OD2 3.57Å; D188-K196 WeakPolarHBondContact O-CA 3.41Å; D188-K197 HydrophobicContact CB-CB 4.46Å; D188-K197 PolarHBondContact N-O 3.27Å; D188-K197 PolarHBondContact O-N 3.37Å; D188-K197 VanDerWaalsContact O-N 3.09Å; D188-F199 HydrophobicContact CB-CE2 4.42Å; D188-F199 WeakPolarHBondContact OD2-CE2 3.43Å; D188-L214 HydrophobicContact CB-CB 4.3Å; D188-L214 PolarHBondContact OD1-N 3.18Å
189Y95.2Very high94Very high66 Ų6655.4 Ų55.426%0.25931%0.308SS..SBendtrans52.856.5-177.1-48.1-73.5000113.9N191 S192 A195 L214Y189-N191 PolarHBondContact O-N 3.09Å; Y189-N191 VanDerWaalsContact O-N 3.13Å; Y189-S192 PolarHBondContact O-N 3.01Å; Y189-A195 HydrophobicContact CD2-CB 4.2Å; Y189-A195 WeakPolarHBondContact CD2-O 3.2Å; Y189-A195 HydrophobicContact CG-CB 4.11Å; Y189-L214 PolarHBondContact N-O 2.82Å; Y189-L214 VanDerWaalsContact N-O 3.14Å
190P92.2Very high94.1Very high55 Ų5554.7 Ų54.736%0.35730%0.301SS..THydrogen-bonded Turntrans-62.8-25.5-17126.1-35.5000114.2I187 K196I187-P190 HydrophobicContact CG2-CB 4.12Å; P190-K196 WeakPolarHBondContact O-CE 3.47Å; P190-K196 PolarHBondContact O-NZ 3.16Å
191N92.3Very high94.2Very high157 Ų15753.2 Ų53.284%0.8429%0.286SS*.THydrogen-bonded Turntrans-86.9-10.8179.7-61.3-26.9000113.3Y189Y189-N191 PolarHBondContact O-N 3.09Å; Y189-N191 VanDerWaalsContact O-N 3.13Å
192S91.4Very high94.2Very high32 Ų3253.1 Ų53.122%0.22429%0.285CS..  trans-88.3139.2178.6-171.20000110.7Y189 R194 A195 K196Y189-S192 PolarHBondContact O-N 3.01Å; S192-R194 PolarHBondContact OG-N 2.95Å; S192-A195 WeakPolarHBondContact OG-CB 3.32Å; S192-A195 PolarHBondContact OG-N 3.42Å; S192-K196 WeakPolarHBondContact O-CB 3.29Å; S192-K196 VanDerWaalsContact O-CE 3.25Å; S192-K196 WeakPolarHBondContact O-CE 3.39Å
193T85.7Confident94.2Very high145 Ų14550.3 Ų50.389%0.8927%0.267SS*.SBendtrans-80.2-31.5170.6520000112
194R84.9Confident94.3Very high207 Ų20748.9 Ų48.978%0.78125%0.252SS*.SBendtrans-97.7-41.1-175.2-174.2178.7177.1-176.9-1.7113.3S192 K197S192-R194 PolarHBondContact OG-N 2.95Å; R194-K197 PolarHBondContact O-NZ 3.15Å
195A89.7Confident93.7Very high42 Ų4250.9 Ų50.935%0.34726%0.263SS..SBendtrans-84.1-12.2-176.400000113.1Y189 S192 K197Y189-A195 HydrophobicContact CD2-CB 4.2Å; Y189-A195 WeakPolarHBondContact CD2-O 3.2Å; Y189-A195 HydrophobicContact CG-CB 4.11Å; S192-A195 WeakPolarHBondContact OG-CB 3.32Å; S192-A195 PolarHBondContact OG-N 3.42Å; A195-K197 WeakPolarHBondContact O-CG 3.47Å; A195-K197 PolarHBondContact O-N 3.2Å
196K94Very high92.2Very high66 Ų6649.4 Ų49.429%0.28726%0.257SS..  trans-55.3133.7-179.7179.4176.3-58.3-171.20112.2I187 D188 P190 S192 Y198I187-K196 HydrophobicContact CG2-CD 4.21Å; I187-K196 HydrophobicContact CG2-CG 3.8Å; D188-K196 WeakPolarHBondContact O-CA 3.41Å; P190-K196 WeakPolarHBondContact O-CE 3.47Å; P190-K196 PolarHBondContact O-NZ 3.16Å; S192-K196 WeakPolarHBondContact O-CB 3.29Å; S192-K196 VanDerWaalsContact O-CE 3.25Å; S192-K196 WeakPolarHBondContact O-CE 3.39Å; K196-Y198 HydrophobicContact CD-CE2 3.62Å; K196-Y198 HydrophobicContact CG-CD2 4.31Å; K196-Y198 HydrophobicContact CG-CE2 3.81Å
197K96.2Very high90.1Very high41 Ų4156.2 Ų56.218%0.17830%0.299CS..EExtended strand (participates in β ladder)trans-137.9129.2177.8-62.1-69.9164.5-88.60109.3I37 I187 D188 R194 A195 F199I37-K197 HydrophobicContact CD1-CD 3.99Å; I37-K197 HydrophobicContact CG1-CD 4.27Å; I187-K197 WeakPolarHBondContact CA-O 3.49Å; D188-K197 HydrophobicContact CB-CB 4.46Å; D188-K197 PolarHBondContact N-O 3.27Å; D188-K197 PolarHBondContact O-N 3.37Å; D188-K197 VanDerWaalsContact O-N 3.09Å; R194-K197 PolarHBondContact O-NZ 3.15Å; A195-K197 WeakPolarHBondContact O-CG 3.47Å; A195-K197 PolarHBondContact O-N 3.2Å; K197-F199 HydrophobicContact CB-CD2 4.27Å; K197-F199 HydrophobicContact CB-CE2 3.57Å; K197-F199 HydrophobicContact CB-CZ 4.26Å
198Y97.5Very high88Confident60 Ų6060.8 Ų60.824%0.23531%0.314CS..EExtended strand (participates in β ladder)trans-97.9128.4178.2-70.4-93.9000109.5Q160 F161 P163 L185 I187 K196Q160-Y198 WeakPolarHBondContact CA-O 3.49Å; F161-Y198 PolarHBondContact N-O 3Å; P163-Y198 HydrophobicContact CG-CD1 3.95Å; P163-Y198 HydrophobicContact CG-CD2 3.76Å; P163-Y198 HydrophobicContact CG-CE1 4.09Å; P163-Y198 HydrophobicContact CG-CE2 3.91Å; P163-Y198 HydrophobicContact CG-CG 3.77Å; L185-Y198 HydrophobicContact CD1-CD1 4.22Å; L185-Y198 HydrophobicContact CD2-CD1 3.93Å; L185-Y198 HydrophobicContact CD2-CE1 4.28Å; L185-Y198 HydrophobicContact CG-CD1 4.28Å; I187-Y198 HydrophobicContact CD1-CD1 3.94Å; I187-Y198 HydrophobicContact CD1-CE1 3.48Å; I187-Y198 VanDerWaalsContact CD1-CE1 3.48Å; I187-Y198 HydrophobicContact CG1-CD1 3.7Å; I187-Y198 HydrophobicContact CG1-CE1 3.77Å; I187-Y198 HydrophobicContact CG2-CD1 4.48Å; I187-Y198 HydrophobicContact CG2-CE1 4.32Å; K196-Y198 HydrophobicContact CD-CE2 3.62Å; K196-Y198 HydrophobicContact CG-CD2 4.31Å; K196-Y198 HydrophobicContact CG-CE2 3.81Å
199F98.3Very high86.1Confident2 Ų271.8 Ų71.81%0.00936%0.355CS..EExtended strand (participates in β ladder)trans-124.8118.4175.3-66.1-90.5000109.5I37 R40 A41 L44 V158 F159 Q160 L185 I186 D188 K197 V201I37-F199 HydrophobicContact CG2-CE1 4.15Å; I37-F199 HydrophobicContact CG2-CZ 4.23Å; R40-F199 HydrophobicContact CB-CE1 4.43Å; R40-F199 HydrophobicContact CB-CZ 4.02Å; R40-F199 HydrophobicContact CG-CE1 4.06Å; R40-F199 HydrophobicContact CG-CE2 3.91Å; R40-F199 HydrophobicContact CG-CZ 3.53Å; A41-F199 HydrophobicContact CB-CE1 4.42Å; L44-F199 HydrophobicContact CD1-CB 3.91Å; L44-F199 HydrophobicContact CD1-CD1 3.84Å; L44-F199 HydrophobicContact CD1-CD2 4.33Å; L44-F199 HydrophobicContact CD1-CE1 4.42Å; L44-F199 HydrophobicContact CD1-CG 3.78Å; V158-F199 HydrophobicContact CG1-CD1 3.94Å; F159-F199 CarbonylContact O-C 3.57Å; F159-F199 WeakPolarHBondContact O-CA 3.49Å; Q160-F199 HydrophobicContact CB-CD1 3.76Å; Q160-F199 HydrophobicContact CB-CE1 3.58Å; Q160-F199 HydrophobicContact CB-CZ 4.32Å; Q160-F199 HydrophobicContact CG-CD1 4.23Å; Q160-F199 HydrophobicContact CG-CE1 3.85Å; Q160-F199 HydrophobicContact CG-CZ 4.07Å; L185-F199 CarbonylContact C-O 3.39Å; L185-F199 WeakPolarHBondContact CA-O 3.34Å; I186-F199 HydrophobicContact CB-CB 4.31Å; I186-F199 PolarHBondContact N-O 2.88Å; I186-F199 PolarHBondContact O-N 2.96Å; D188-F199 HydrophobicContact CB-CE2 4.42Å; D188-F199 WeakPolarHBondContact OD2-CE2 3.43Å; K197-F199 HydrophobicContact CB-CD2 4.27Å; K197-F199 HydrophobicContact CB-CE2 3.57Å; K197-F199 HydrophobicContact CB-CZ 4.26Å; F199-V201 HydrophobicContact CB-CG2 4.4Å
200L98Very high84.6Confident1 Ų174.6 Ų74.61%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-86.1115.7165.5-179.865000107.4F144 V158 F159 F161 L172 Q173 L202F144-L200 HydrophobicContact CZ-CD2 4.34Å; V158-L200 WeakPolarHBondContact CA-O 3.25Å; F159-L200 HydrophobicContact CB-CB 4.19Å; F159-L200 HydrophobicContact CD2-CB 4.18Å; F159-L200 HydrophobicContact CD2-CD2 4.24Å; F159-L200 HydrophobicContact CD2-CG 4.29Å; F159-L200 WeakPolarHBondContact CD2-O 3.47Å; F159-L200 PolarHBondContact N-O 2.84Å; F159-L200 PolarHBondContact O-N 3.38Å; F161-L200 HydrophobicContact CE1-CB 3.87Å; L172-L200 HydrophobicContact CB-CD2 4.34Å; Q173-L200 HydrophobicContact CB-CD1 4.22Å; Q173-L200 HydrophobicContact CG-CD1 4.25Å; L200-L202 HydrophobicContact CD1-CD2 3.81Å; L200-L202 HydrophobicContact CD2-CD1 4.16Å; L200-L202 HydrophobicContact CD2-CD2 4.14Å; L200-L202 HydrophobicContact CD2-CG 4.26Å; L200-L202 HydrophobicContact CG-CD1 4.4Å; L200-L202 HydrophobicContact CG-CD2 3.76Å; L200-L202 HydrophobicContact CG-CG 3.94Å
201V97.9Very high83.7Confident4 Ų473.5 Ų73.52%0.02437%0.366CS..EExtended strand (participates in β ladder)trans-107.9116.8179-177.80000108.3L44 V158 G183 G184 I186 F199L44-V201 HydrophobicContact CB-CG2 4.33Å; L44-V201 HydrophobicContact CD1-CG2 4.05Å; V158-V201 HydrophobicContact CG1-CG2 4.38Å; V158-V201 HydrophobicContact CG2-CG1 4.23Å; V158-V201 HydrophobicContact CG2-CG2 4.28Å; G183-V201 CarbonylContact C-O 3.53Å; G183-V201 VanDerWaalsContact CA-O 3.32Å; G183-V201 WeakPolarHBondContact CA-O 3.4Å; G184-V201 PolarHBondContact N-O 3.18Å; G184-V201 PolarHBondContact O-N 2.92Å; I186-V201 HydrophobicContact CD1-CB 4.4Å; I186-V201 HydrophobicContact CD1-CG2 3.7Å; I186-V201 HydrophobicContact CG1-CG2 4.12Å; F199-V201 HydrophobicContact CB-CG2 4.4Å
202L97.5Very high83Confident1 Ų173.3 Ų73.31%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-116.9141.2-176.1-57.2-177.5000110.7F144 R156 A157 F159 A176 F181 T182 L200F144-L202 HydrophobicContact CD1-CD1 4.25Å; F144-L202 HydrophobicContact CE1-CD1 3.85Å; R156-L202 CarbonylContact C-O 3.54Å; R156-L202 WeakPolarHBondContact CA-O 3.39Å; A157-L202 HydrophobicContact CB-CB 4.36Å; A157-L202 PolarHBondContact N-O 3.41Å; A157-L202 PolarHBondContact O-N 3.01Å; F159-L202 HydrophobicContact CD2-CD1 4.24Å; F159-L202 HydrophobicContact CD2-CG 4.43Å; F159-L202 HydrophobicContact CE2-CD1 3.58Å; F159-L202 HydrophobicContact CE2-CG 4.04Å; F159-L202 HydrophobicContact CZ-CD1 4.4Å; A176-L202 HydrophobicContact CB-CD1 3.51Å; A176-L202 HydrophobicContact CB-CD2 3.91Å; A176-L202 HydrophobicContact CB-CG 4.39Å; F181-L202 HydrophobicContact CB-CB 4.04Å; F181-L202 HydrophobicContact CB-CD1 4.11Å; F181-L202 HydrophobicContact CB-CD2 4.16Å; F181-L202 HydrophobicContact CB-CG 4.34Å; F181-L202 HydrophobicContact CD1-CB 3.61Å; F181-L202 HydrophobicContact CD1-CD1 4.16Å; F181-L202 HydrophobicContact CD1-CG 4.49Å; F181-L202 HydrophobicContact CD2-CD1 3.91Å; F181-L202 HydrophobicContact CE1-CB 4.22Å; F181-L202 HydrophobicContact CE2-CD1 4.35Å; F181-L202 HydrophobicContact CG-CB 3.93Å; F181-L202 HydrophobicContact CG-CD1 3.81Å; F181-L202 HydrophobicContact CG-CG 4.36Å; T182-L202 CarbonylContact O-C 3.49Å; T182-L202 VanDerWaalsContact O-CA 3.26Å; T182-L202 WeakPolarHBondContact O-CA 3.45Å; L200-L202 HydrophobicContact CD1-CD2 3.81Å; L200-L202 HydrophobicContact CD2-CD1 4.16Å; L200-L202 HydrophobicContact CD2-CD2 4.14Å; L200-L202 HydrophobicContact CD2-CG 4.26Å; L200-L202 HydrophobicContact CG-CD1 4.4Å; L200-L202 HydrophobicContact CG-CD2 3.76Å; L200-L202 HydrophobicContact CG-CG 3.94Å
203D96.3Very high82.5Confident8 Ų874.7 Ų74.74%0.04337%0.368CS..EExtended strand (participates in β ladder)trans-115.4138.9175.7-67-92000110.3R156 T182R156-D203 VanDerWaalsContact CG-OD1 3.26Å; R156-D203 WeakPolarHBondContact CG-OD1 3.38Å; R156-D203 IonicContact CZ-OD1 2.91Å; R156-D203 IonicContact NE-OD1 3.74Å; R156-D203 PolarHBondContact NE-OD1 3.4Å; R156-D203 IonicContact NH2-OD1 3.84Å; T182-D203 PolarHBondContact N-O 3.41Å; T182-D203 VanDerWaalsContact N-O 3.1Å; T182-D203 PolarHBondContact O-N 3.4Å; T182-D203 PolarHBondContact OG1-O 2.65Å
204V95Very high82.4Confident5 Ų568.7 Ų68.73%0.0333%0.33CS..EExtended strand (participates in β ladder)trans-90.4113169.8-178.90000109.3Y148 L151 G154 A155 F181 S206Y148-V204 HydrophobicContact CD2-CG1 4.49Å; Y148-V204 HydrophobicContact CD2-CG2 4.35Å; Y148-V204 HydrophobicContact CE2-CB 4.48Å; Y148-V204 HydrophobicContact CE2-CG1 3.98Å; Y148-V204 HydrophobicContact CE2-CG2 4.44Å; L151-V204 HydrophobicContact CB-CG2 3.71Å; L151-V204 HydrophobicContact CD1-CG2 3.8Å; L151-V204 HydrophobicContact CG-CG2 4.42Å; G154-V204 WeakPolarHBondContact CA-O 3.32Å; G154-V204 PolarHBondContact N-O 3.42Å; A155-V204 PolarHBondContact O-N 3.36Å; F181-V204 HydrophobicContact CD1-CG2 4.03Å; F181-V204 HydrophobicContact CE1-CG2 3.51Å; F181-V204 HydrophobicContact CZ-CG2 4.43Å; V204-S206 PolarHBondContact O-N 3.13Å
205C79.9Confident82.3Confident57 Ų5762 Ų6239%0.38531%0.313SS..SBendtrans4760.1174.5-73.30000114.1Y148Y148-C205 PolarHBondContact OH-SG 3.23Å
206S64.8Low81.6Confident29 Ų2968 Ų6820%0.20333%0.334CS..  trans-137.9143.4-177.3-171.40000114.7V204 R208V204-S206 PolarHBondContact O-N 3.13Å; S206-R208 WeakPolarHBondContact OG-CB 3.29Å; S206-R208 VanDerWaalsContact OG-CG 3.26Å; S206-R208 WeakPolarHBondContact OG-CG 3.32Å; S206-R208 PolarHBondContact OG-N 3.38Å
207T51.7Low80.1Confident149 Ų14971.5 Ų71.591%0.91436%0.356SS*.  trans-102.473.2157.1540000108.5
208R53.3Low78.3Confident145 Ų14572.4 Ų72.455%0.54736%0.362SS..  trans-114.3157171.8-81.9-178-173.3-166.94.4110.5S206S206-R208 WeakPolarHBondContact OG-CB 3.29Å; S206-R208 VanDerWaalsContact OG-CG 3.26Å; S206-R208 WeakPolarHBondContact OG-CG 3.32Å; S206-R208 PolarHBondContact OG-N 3.38Å
209R55.4Low75.9Confident236 Ų23677.3 Ų77.389%0.89139%0.388SS*.PPolyproline II helixtrans-67.8136.6178.7-70.5-176.3179-177.7-0.5110.9R156R156-R209 PolarHBondContact NH2-O 3.44Å; R156-R209 VanDerWaalsContact NH2-O 3.07Å
210I64.9Low73.6Confident124 Ų12485.1 Ų85.164%0.63643%0.426SS*.PPolyproline II helixtrans-70.2128.7175.7-60.5170.4000108.8
211P72.8Confident71.4Confident32 Ų3285.7 Ų85.721%0.20843%0.43CS..PPolyproline II helixtrans-61.2152.5174.7-22.133.2000112.9L44 I186L44-P211 HydrophobicContact CD2-CB 3.5Å; L44-P211 HydrophobicContact CD2-CG 3.92Å; I186-P211 HydrophobicContact CD1-CB 3.93Å; I186-P211 HydrophobicContact CD1-CG 4.34Å; I186-P211 WeakPolarHBondContact CD1-O 3.27Å
212Q78.6Confident69Low153 Ų15389.7 Ų89.772%0.71545%0.451SS*.PPolyproline II helixtrans-86.8143.8179-68.5-176.80.500112.1R40R40-Q212 PolarHBondContact NH2-O 3.42Å; R40-Q212 VanDerWaalsContact NH2-O 3.13Å
213P80.6Confident66.7Low61 Ų6196.9 Ų96.940%0.39649%0.485SS..PPolyproline II helixtrans-61.6147.4170.6-18.630000112.4I186I186-P213 HydrophobicContact CG2-CB 4.11Å; I186-P213 HydrophobicContact CG2-CG 4.17Å
214L83.6Confident64.6Low19 Ų19100.8 Ų100.810%0.09951%0.506CS..PPolyproline II helixtrans-78.6133170.1-62.2178.9000110.7D188 Y189 N218D188-L214 HydrophobicContact CB-CB 4.3Å; D188-L214 PolarHBondContact OD1-N 3.18Å; Y189-L214 PolarHBondContact N-O 2.82Å; Y189-L214 VanDerWaalsContact N-O 3.14Å; L214-N218 HydrophobicContact CD2-CB 4.37Å; L214-N218 WeakPolarHBondContact CD2-ND2 3.2Å
215T82.7Confident62.5Low68 Ų68106.6 Ų106.642%0.41753%0.527SS..  trans-119.6167.6172.364.50000110N217 N218T215-N217 PolarHBondContact O-N 2.83Å; T215-N218 PolarHBondContact O-N 3.28Å
216E74.1Confident61.4Low166 Ų166108 Ų10878%0.77653%0.531SS*.THydrogen-bonded Turntrans-57-21.7-179.6-67175.6-176.600113.4
217N62.7Low61.2Low141 Ų141113.1 Ų113.175%0.75455%0.549SS*.THydrogen-bonded Turntrans-100.48.2-175.4-62.3-17.5000114.5T215 E219T215-N217 PolarHBondContact O-N 2.83Å; N217-E219 PolarHBondContact O-N 3.25Å
218N58.5Low61.6Low59 Ų59107.9 Ų107.932%0.31652%0.515SS..  trans-78.392.3-177-103.212.1000112.5L214 T215 M220L214-N218 HydrophobicContact CD2-CB 4.37Å; L214-N218 WeakPolarHBondContact CD2-ND2 3.2Å; T215-N218 PolarHBondContact O-N 3.28Å; N218-M220 PolarHBondContact O-N 3.24Å
219E47.4Very low62.2Low164 Ų164106.5 Ų106.577%0.76652%0.515SS*.THydrogen-bonded Turntrans-67-19.5174.3-64.5-171.9154.600113.8N217 S221 N222N217-E219 PolarHBondContact O-N 3.25Å; E219-S221 PolarHBondContact O-N 2.9Å; E219-N222 WeakPolarHBondContact O-CB 3.34Å; E219-N222 PolarHBondContact O-N 3.48Å
220M49.6Very low62.7Low165 Ų16598.7 Ų98.781%0.81349%0.494SS*.Hα-helixtrans-60.5-30.5-178.6-151.889.670.900112.8N218 N222N218-M220 PolarHBondContact O-N 3.24Å; M220-N222 VanDerWaalsContact C-N 3.3Å; M220-N222 PolarHBondContact O-N 2.81Å
221S51.3Low62.6Low14 Ų1495.6 Ų95.610%0.09848%0.478CS..Hα-helixtrans-70.4-21.3177.1-830000113.5E219 H223 N224 R225E219-S221 PolarHBondContact O-N 2.9Å; S221-H223 PolarHBondContact O-N 3.42Å; S221-N224 PolarHBondContact O-N 2.76Å; S221-R225 WeakPolarHBondContact O-CB 3.45Å; S221-R225 VanDerWaalsContact O-CG 3.3Å; S221-R225 WeakPolarHBondContact O-CG 3.43Å; S221-R225 PolarHBondContact O-N 2.99Å
222N49.1Very low62.2Low87 Ų8798.4 Ų98.447%0.46549%0.485SS..Hα-helixtrans-65.8-30.2-179.9-79.7-8.6000111.7E219 M220 N226E219-N222 WeakPolarHBondContact O-CB 3.34Å; E219-N222 PolarHBondContact O-N 3.48Å; M220-N222 VanDerWaalsContact C-N 3.3Å; M220-N222 PolarHBondContact O-N 2.81Å; N222-N226 WeakPolarHBondContact O-CB 3.48Å; N222-N226 PolarHBondContact O-N 3.42Å; N222-N226 PolarHBondContact O-ND2 2.96Å; N222-N226 PolarHBondContact O-OD1 3.32Å
223H47.6Very low61.9Low153 Ų15396.8 Ų96.871%0.70848%0.477SS*.Hα-helixtrans-73.3-41.1-179.2-153.819.7000112.6S221 K227S221-H223 PolarHBondContact O-N 3.42Å; H223-K227 PolarHBondContact O-N 2.98Å
224N52.4Low61.4Low90 Ų9095.1 Ų95.148%0.48147%0.467SS..Hα-helixtrans-69.2-40.9174.3-77-6000111.9S221 K227 L228S221-N224 PolarHBondContact O-N 2.76Å; N224-K227 PolarHBondContact O-N 3.42Å; N224-L228 PolarHBondContact O-N 3.09Å
225R52.4Low60.4Low126 Ų126100.7 Ų100.748%0.47549%0.486SS..Hα-helixtrans-58.2-48.2174.5-78.5178.5173.9164.9-0.9112S221 K227 L228 E229S221-R225 WeakPolarHBondContact O-CB 3.45Å; S221-R225 VanDerWaalsContact O-CG 3.3Å; S221-R225 WeakPolarHBondContact O-CG 3.43Å; S221-R225 PolarHBondContact O-N 2.99Å; R225-K227 VanDerWaalsContact C-N 3.29Å; R225-K227 PolarHBondContact O-N 3.24Å; R225-L228 PolarHBondContact O-N 3.01Å; R225-L228 VanDerWaalsContact O-N 3.11Å; R225-E229 PolarHBondContact O-N 3.11Å
226N55.3Low59.8Low88 Ų88105.4 Ų105.447%0.47150%0.504SS..Hα-helixtrans-62.4-36.7178.4-68.3-6.3000112.2N222 T230N222-N226 WeakPolarHBondContact O-CB 3.48Å; N222-N226 PolarHBondContact O-N 3.42Å; N222-N226 PolarHBondContact O-ND2 2.96Å; N222-N226 PolarHBondContact O-OD1 3.32Å; N226-T230 WeakPolarHBondContact O-CB 3.46Å; N226-T230 WeakPolarHBondContact O-CG2 3.38Å; N226-T230 PolarHBondContact O-N 3.43Å; N226-T230 VanDerWaalsContact O-N 3.09Å; N226-T230 PolarHBondContact O-OG1 2.89Å
227K61.2Low60Low135 Ų135102.4 Ų102.459%0.58749%0.493SS*.Hα-helixtrans-66.4-38.1175.3-171.2-177.3176.5-169.80111.5H223 N224 R225 T230 L231H223-K227 PolarHBondContact O-N 2.98Å; N224-K227 PolarHBondContact O-N 3.42Å; R225-K227 VanDerWaalsContact C-N 3.29Å; R225-K227 PolarHBondContact O-N 3.24Å; K227-T230 WeakPolarHBondContact CA-OG1 3.43Å; K227-T230 PolarHBondContact O-OG1 2.75Å; K227-L231 VanDerWaalsContact O-CG 3.26Å; K227-L231 WeakPolarHBondContact O-CG 3.43Å; K227-L231 PolarHBondContact O-N 3.13Å
228L61.1Low60.5Low39 Ų39105.2 Ų105.220%0.20450%0.498CS..Hα-helixtrans-76.8-40.9-179.8-16858.8000112.7E39 N224 R225 T230 L231 R232E39-L228 HydrophobicContact CG-CD2 4.04Å; E39-L228 WeakPolarHBondContact OE1-CD2 3.47Å; N224-L228 PolarHBondContact O-N 3.09Å; R225-L228 PolarHBondContact O-N 3.01Å; R225-L228 VanDerWaalsContact O-N 3.11Å; L228-T230 VanDerWaalsContact C-N 3.34Å; L228-T230 PolarHBondContact O-N 2.67Å; L228-L231 HydrophobicContact CD1-CD1 4.47Å; L228-L231 WeakPolarHBondContact O-CB 3.34Å; L228-L231 PolarHBondContact O-N 3Å; L228-L231 VanDerWaalsContact O-N 3.16Å; L228-R232 WeakPolarHBondContact O-CG 3.44Å; L228-R232 PolarHBondContact O-N 3.2Å
229E64.4Low61.4Low116 Ų116108.8 Ų108.854%0.54251%0.511SS..Hα-helixtrans-59.9-44.1172.6-76.5-174.9164.700111.5R225 L231 R232 E233R225-E229 PolarHBondContact O-N 3.11Å; E229-L231 VanDerWaalsContact C-N 3.3Å; E229-L231 PolarHBondContact O-N 3.16Å; E229-R232 PolarHBondContact O-N 3.44Å; E229-E233 PolarHBondContact O-N 3Å
230T65.4Low63Low73 Ų73104.1 Ų104.145%0.44849%0.491SS..Hα-helixtrans-64.2-32.6175.346.10000112.9N226 K227 L228 C234N226-T230 WeakPolarHBondContact O-CB 3.46Å; N226-T230 WeakPolarHBondContact O-CG2 3.38Å; N226-T230 PolarHBondContact O-N 3.43Å; N226-T230 VanDerWaalsContact O-N 3.09Å; N226-T230 PolarHBondContact O-OG1 2.89Å; K227-T230 WeakPolarHBondContact CA-OG1 3.43Å; K227-T230 PolarHBondContact O-OG1 2.75Å; L228-T230 VanDerWaalsContact C-N 3.34Å; L228-T230 PolarHBondContact O-N 2.67Å; T230-C234 VanDerWaalsContact O-CB 3.31Å; T230-C234 WeakPolarHBondContact O-CB 3.46Å; T230-C234 PolarHBondContact O-N 3.2Å; T230-C234 PolarHBondContact O-SG 3.16Å
231L63.6Low64.2Low58 Ų5898.1 Ų98.130%0.30446%0.464SS..Hα-helixtrans-68-42.3172.3-74.8167.1000111.8K227 L228 E229 C234 R235 P241K227-L231 VanDerWaalsContact O-CG 3.26Å; K227-L231 WeakPolarHBondContact O-CG 3.43Å; K227-L231 PolarHBondContact O-N 3.13Å; L228-L231 HydrophobicContact CD1-CD1 4.47Å; L228-L231 WeakPolarHBondContact O-CB 3.34Å; L228-L231 PolarHBondContact O-N 3Å; L228-L231 VanDerWaalsContact O-N 3.16Å; E229-L231 VanDerWaalsContact C-N 3.3Å; E229-L231 PolarHBondContact O-N 3.16Å; L231-C234 PolarHBondContact O-N 3.34Å; L231-R235 PolarHBondContact O-N 3.02Å; L231-P241 HydrophobicContact CD2-CB 3.8Å; L231-P241 HydrophobicContact CD2-CG 3.5Å
232R65.4Low65.4Low91 Ų91105.3 Ų105.334%0.34349%0.494SS..Hα-helixtrans-61.9-47.2175.4-71.6179-179.7-172.72.3111.6E39 L228 E229 C234 R235 Q236E39-R232 IonicContact OE1-CZ 3.81Å; E39-R232 IonicContact OE1-NH2 3.35Å; E39-R232 PolarHBondContact OE1-NH2 2.96Å; E39-R232 IonicContact OE2-NH2 3.35Å; L228-R232 WeakPolarHBondContact O-CG 3.44Å; L228-R232 PolarHBondContact O-N 3.2Å; E229-R232 PolarHBondContact O-N 3.44Å; R232-C234 PolarHBondContact O-N 3.47Å; R232-R235 PolarHBondContact O-N 2.79Å; R232-Q236 PolarHBondContact O-N 2.86Å
233E72.4Confident66.7Low119 Ų119108 Ų10856%0.55650%0.503SS*.Hα-helixtrans-60.7-43174.9-75.6-174.8168.500112.2E229 R235 Q236 L237E229-E233 PolarHBondContact O-N 3Å; E233-R235 VanDerWaalsContact C-N 3.31Å; E233-R235 PolarHBondContact O-N 2.97Å; E233-Q236 PolarHBondContact O-N 3.38Å; E233-L237 VanDerWaalsContact O-CB 3.32Å; E233-L237 WeakPolarHBondContact O-CB 3.2Å; E233-L237 VanDerWaalsContact O-CG 3.29Å; E233-L237 WeakPolarHBondContact O-CG 3.48Å; E233-L237 PolarHBondContact O-N 2.89Å
234C69.5Low68.2Low26 Ų26102.3 Ų102.318%0.17648%0.48CS..Hα-helixtrans-59.8-42.7176.8-76.70000111.2T230 L231 R232 K238 K239 P241T230-C234 VanDerWaalsContact O-CB 3.31Å; T230-C234 WeakPolarHBondContact O-CB 3.46Å; T230-C234 PolarHBondContact O-N 3.2Å; T230-C234 PolarHBondContact O-SG 3.16Å; L231-C234 PolarHBondContact O-N 3.34Å; R232-C234 PolarHBondContact O-N 3.47Å; C234-K238 CarbonylContact O-C 3.47Å; C234-K238 PolarHBondContact O-N 3.14Å; C234-K238 VanDerWaalsContact O-N 3.11Å; C234-K239 CarbonylContact C-O 3.51Å; C234-K239 WeakPolarHBondContact CB-O 3.21Å; C234-K239 PolarHBondContact O-N 3.33Å; C234-P241 HydrophobicContact CB-CG 4.34Å
235R62.7Low69.5Low136 Ų136101.2 Ų101.251%0.51348%0.477SS..Hα-helixtrans-67.5-46.9177.2-74.8-176.5-1801644.6112.6E71 L231 R232 E233 L237 K238E71-R235 PolarHBondContact O-NH2 3.31Å; E71-R235 VanDerWaalsContact O-NH2 3.08Å; E71-R235 IonicContact OE1-NH1 3.22Å; E71-R235 PolarHBondContact OE1-NH1 3.18Å; L231-R235 PolarHBondContact O-N 3.02Å; R232-R235 PolarHBondContact O-N 2.79Å; E233-R235 VanDerWaalsContact C-N 3.31Å; E233-R235 PolarHBondContact O-N 2.97Å; R235-L237 VanDerWaalsContact C-N 3.26Å; R235-L237 PolarHBondContact O-N 3.45Å; R235-K238 PolarHBondContact O-N 3.46Å
236Q69.4Low70.9Confident167 Ų16797.5 Ų97.578%0.7847%0.474SS*.Hα-helixtrans-57.7-40176.2-75.3-1772.400112R232 E233 K238R232-Q236 PolarHBondContact O-N 2.86Å; E233-Q236 PolarHBondContact O-N 3.38Å; Q236-K238 VanDerWaalsContact C-N 3.28Å; Q236-K238 PolarHBondContact O-N 3.17Å
237L78Confident72.3Confident104 Ų10496.3 Ų96.355%0.54546%0.463SS..THydrogen-bonded Turntrans-83.33.1178.2-63.9171.9000113.8E233 R235 K239E233-L237 VanDerWaalsContact O-CB 3.32Å; E233-L237 WeakPolarHBondContact O-CB 3.2Å; E233-L237 VanDerWaalsContact O-CG 3.29Å; E233-L237 WeakPolarHBondContact O-CG 3.48Å; E233-L237 PolarHBondContact O-N 2.89Å; R235-L237 VanDerWaalsContact C-N 3.26Å; R235-L237 PolarHBondContact O-N 3.45Å; L237-K239 HydrophobicContact CB-CB 4.46Å; L237-K239 HydrophobicContact CB-CD 4Å; L237-K239 HydrophobicContact CB-CG 4.04Å; L237-K239 HydrophobicContact CD1-CD 4.31Å; L237-K239 PolarHBondContact O-N 2.94Å; L237-K239 VanDerWaalsContact O-N 3.13Å
238K74.3Confident73.5Confident200 Ų20091.9 Ų91.987%0.8745%0.445SS*.THydrogen-bonded Turntrans50.232.3-171.8-60.6-177.4177.7-179.90113.4C234 R235 Q236C234-K238 CarbonylContact O-C 3.47Å; C234-K238 PolarHBondContact O-N 3.14Å; C234-K238 VanDerWaalsContact O-N 3.11Å; R235-K238 PolarHBondContact O-N 3.46Å; Q236-K238 VanDerWaalsContact C-N 3.28Å; Q236-K238 PolarHBondContact O-N 3.17Å
239K77.5Confident74.8Confident134 Ų13495.2 Ų95.258%0.58346%0.458SS*.PPolyproline II helixtrans-98145.1176.9-71.1177.2-175.2172.60110.3C234 L237C234-K239 CarbonylContact C-O 3.51Å; C234-K239 WeakPolarHBondContact CB-O 3.21Å; C234-K239 PolarHBondContact O-N 3.33Å; L237-K239 HydrophobicContact CB-CB 4.46Å; L237-K239 HydrophobicContact CB-CD 4Å; L237-K239 HydrophobicContact CB-CG 4.04Å; L237-K239 HydrophobicContact CD1-CD 4.31Å; L237-K239 PolarHBondContact O-N 2.94Å; L237-K239 VanDerWaalsContact O-N 3.13Å
240L79.6Confident75.9Confident65 Ų6594.3 Ų94.334%0.3445%0.453SS..PPolyproline II helixtrans-76.3136.6173.4-66.3168.4000110.1K242 A246 W247 Q250L240-K242 PolarHBondContact O-N 3.47Å; L240-A246 HydrophobicContact CD2-CB 3.93Å; L240-W247 HydrophobicContact CB-CB 4.03Å; L240-Q250 HydrophobicContact CD1-CB 3.9Å; L240-Q250 HydrophobicContact CD1-CG 4.31Å
241P76Confident77.1Confident40 Ų4097 Ų9726%0.2646%0.459SS..PPolyproline II helixtrans-59129.7177.5-22.432.4000111.1L231 C234 H243 S244 W247L231-P241 HydrophobicContact CD2-CB 3.8Å; L231-P241 HydrophobicContact CD2-CG 3.5Å; C234-P241 HydrophobicContact CB-CG 4.34Å; P241-H243 PolarHBondContact O-N 3.24Å; P241-S244 VanDerWaalsContact O-CB 3.27Å; P241-S244 WeakPolarHBondContact O-CB 3.45Å; P241-S244 PolarHBondContact O-N 2.9Å; P241-S244 VanDerWaalsContact O-N 3.1Å; P241-S244 PolarHBondContact O-OG 3.29Å; P241-W247 WeakPolarHBondContact O-CB 3.33Å
242K75.8Confident78.4Confident164 Ų16495.8 Ų95.871%0.71345%0.451SS*.THydrogen-bonded Turntrans-56.7138.3179.1-73.6179.9-179.8173.20110L240 S244 W247L240-K242 PolarHBondContact O-N 3.47Å; K242-S244 PolarHBondContact O-N 3.34Å; K242-W247 HydrophobicContact CG-CZ2 4.46Å
243H76.6Confident79.6Confident143 Ų14396.2 Ų96.266%0.66246%0.457SS*.THydrogen-bonded Turntrans68-1.8-175.5-52.1-79.1000117.1P241 I248P241-H243 PolarHBondContact O-N 3.24Å; H243-I248 WeakPolarHBondContact O-CD1 3.47Å
244S79Confident80.5Confident34 Ų3497.6 Ų97.624%0.23846%0.457CS..SBendtrans-62.2155.6169.465.90000111.5P241 K242 A246 W247 I248P241-S244 VanDerWaalsContact O-CB 3.27Å; P241-S244 WeakPolarHBondContact O-CB 3.45Å; P241-S244 PolarHBondContact O-N 2.9Å; P241-S244 VanDerWaalsContact O-N 3.1Å; P241-S244 PolarHBondContact O-OG 3.29Å; K242-S244 PolarHBondContact O-N 3.34Å; S244-A246 PolarHBondContact O-N 3.48Å; S244-W247 PolarHBondContact O-N 3.14Å; S244-W247 VanDerWaalsContact O-N 3.12Å; S244-W247 WeakPolarHBondContact OG-CB 3.03Å; S244-W247 PolarHBondContact OG-N 3.02Å; S244-W247 VanDerWaalsContact OG-N 3.11Å; S244-I248 WeakPolarHBondContact O-CG1 3.35Å; S244-I248 PolarHBondContact O-N 3.42Å
245V79.4Confident81.6Confident67 Ų6797.3 Ų97.341%0.40646%0.457SS..Hα-helixtrans-55.8-41.7176.2179.10000110.9I248 K249V245-I248 PolarHBondContact O-N 2.98Å; V245-K249 HydrophobicContact CG1-CD 4.32Å; V245-K249 WeakPolarHBondContact O-CG 3.24Å; V245-K249 PolarHBondContact O-N 3.06Å
246A82.2Confident82.9Confident49 Ų4995.8 Ų95.841%0.40545%0.451SS..Hα-helixtrans-63.2-44.517700000112.2L240 S244 I248 K249 Q250L240-A246 HydrophobicContact CD2-CB 3.93Å; S244-A246 PolarHBondContact O-N 3.48Å; A246-I248 PolarHBondContact O-N 2.78Å; A246-K249 PolarHBondContact O-N 3.25Å; A246-Q250 PolarHBondContact O-N 2.82Å
247W84.5Confident84Confident63 Ų6393.1 Ų93.124%0.23944%0.442CS..Hα-helixtrans-62.4-41.3175.6-177.892.7000112.3L240 P241 K242 S244 Q250 K251L240-W247 HydrophobicContact CB-CB 4.03Å; P241-W247 WeakPolarHBondContact O-CB 3.33Å; K242-W247 HydrophobicContact CG-CZ2 4.46Å; S244-W247 PolarHBondContact O-N 3.14Å; S244-W247 VanDerWaalsContact O-N 3.12Å; S244-W247 WeakPolarHBondContact OG-CB 3.03Å; S244-W247 PolarHBondContact OG-N 3.02Å; S244-W247 VanDerWaalsContact OG-N 3.11Å; W247-Q250 PolarHBondContact O-N 2.84Å; W247-K251 HydrophobicContact CH2-CD 3.88Å; W247-K251 HydrophobicContact CZ2-CD 4.36Å; W247-K251 HydrophobicContact CZ3-CD 4.12Å; W247-K251 WeakPolarHBondContact O-CB 3.49Å; W247-K251 PolarHBondContact O-N 3.03Å
248I86.7Confident84.7Confident41 Ų4193.3 Ų93.321%0.2144%0.44CS..Hα-helixtrans-63.1-45.5176.2-66.5168.6000110.4H243 S244 V245 A246 K251 K252 T269 G270H243-I248 WeakPolarHBondContact O-CD1 3.47Å; S244-I248 WeakPolarHBondContact O-CG1 3.35Å; S244-I248 PolarHBondContact O-N 3.42Å; V245-I248 PolarHBondContact O-N 2.98Å; A246-I248 PolarHBondContact O-N 2.78Å; I248-K251 PolarHBondContact O-N 3.38Å; I248-K252 WeakPolarHBondContact O-CG 3.34Å; I248-K252 PolarHBondContact O-N 3.12Å; I248-T269 HydrophobicContact CG2-CG2 3.84Å; I248-G270 VanDerWaalsContact CD1-CA 3.45Å
249K87.6Confident85.4Confident110 Ų11092.6 Ų92.648%0.47844%0.442SS..Hα-helixtrans-61.4-45.1177-75.5179.6178.6-1770111.9V245 A246 K251 K252 Q253V245-K249 HydrophobicContact CG1-CD 4.32Å; V245-K249 WeakPolarHBondContact O-CG 3.24Å; V245-K249 PolarHBondContact O-N 3.06Å; A246-K249 PolarHBondContact O-N 3.25Å; K249-K251 VanDerWaalsContact C-N 3.32Å; K249-K251 PolarHBondContact O-N 2.83Å; K249-K252 PolarHBondContact O-N 3.09Å; K249-Q253 PolarHBondContact O-N 3.06Å
250Q88.2Confident86.1Confident96 Ų9692.1 Ų92.145%0.44944%0.44SS..Hα-helixtrans-60.5-41.6176.2-170.7-172.756.100111.7L240 A246 W247 Q253 R254L240-Q250 HydrophobicContact CD1-CB 3.9Å; L240-Q250 HydrophobicContact CD1-CG 4.31Å; A246-Q250 PolarHBondContact O-N 2.82Å; W247-Q250 PolarHBondContact O-N 2.84Å; Q250-Q253 PolarHBondContact O-N 2.96Å; Q250-R254 PolarHBondContact O-N 3Å
251K91.2Very high86.5Confident131 Ų13198.7 Ų98.757%0.5747%0.469SS*.Hα-helixtrans-65.8-40.7177.1-167.4177.1-179179.70112W247 I248 K249 A255W247-K251 HydrophobicContact CH2-CD 3.88Å; W247-K251 HydrophobicContact CZ2-CD 4.36Å; W247-K251 HydrophobicContact CZ3-CD 4.12Å; W247-K251 WeakPolarHBondContact O-CB 3.49Å; W247-K251 PolarHBondContact O-N 3.03Å; I248-K251 PolarHBondContact O-N 3.38Å; K249-K251 VanDerWaalsContact C-N 3.32Å; K249-K251 PolarHBondContact O-N 2.83Å; K251-A255 PolarHBondContact O-N 3.15Å; K251-A255 VanDerWaalsContact O-N 3.1Å
252K91.4Very high87.2Confident31 Ų3198.9 Ų98.914%0.13547%0.47CS..Hα-helixtrans-62.8-44.1173.6-74-169.8173.7-168.70111.7I248 K249 A255 R256 V262 A263 R264 D265I248-K252 WeakPolarHBondContact O-CG 3.34Å; I248-K252 PolarHBondContact O-N 3.12Å; K249-K252 PolarHBondContact O-N 3.09Å; K252-A255 PolarHBondContact O-N 3.33Å; K252-R256 WeakPolarHBondContact O-CG 3.28Å; K252-R256 PolarHBondContact O-N 3.48Å; K252-V262 HydrophobicContact CB-CG1 3.91Å; K252-V262 HydrophobicContact CD-CG1 3.93Å; K252-V262 HydrophobicContact CG-CG1 3.59Å; K252-A263 PolarHBondContact NZ-O 3.5Å; K252-R264 PolarHBondContact NZ-O 3Å; K252-D265 WeakPolarHBondContact CD-OD1 3.34Å; K252-D265 WeakPolarHBondContact CE-OD1 3.42Å; K252-D265 IonicContact NZ-OD1 3.94Å; K252-D265 PolarHBondContact NZ-OD1 3.43Å
253Q89.8Confident87.7Confident100 Ų10094.7 Ų94.747%0.46747%0.465SS..Hα-helixtrans-59.2-50.1177.5-174.158.738.500111K249 Q250 A255 R256 D257K249-Q253 PolarHBondContact O-N 3.06Å; Q250-Q253 PolarHBondContact O-N 2.96Å; Q253-A255 PolarHBondContact O-N 3.09Å; Q253-R256 WeakPolarHBondContact O-CA 3.16Å; Q253-R256 WeakPolarHBondContact O-CB 3.33Å; Q253-R256 PolarHBondContact O-N 2.78Å; Q253-D257 PolarHBondContact NE2-OD1 3.47Å; Q253-D257 PolarHBondContact O-N 3.5Å
254R91.2Very high88.2Confident148 Ų14898.6 Ų98.656%0.55847%0.474SS*.Hα-helixtrans-56.9-36.8176.8-170.6-177.3-62.3-177.60.3113Q250 Q258Q250-R254 PolarHBondContact O-N 3Å; R254-Q258 WeakPolarHBondContact O-CG 3.14Å; R254-Q258 PolarHBondContact O-N 2.81Å
255A91.8Very high88.6Confident21 Ų21100.6 Ų100.617%0.17448%0.482CS..Hα-helixtrans-72.1-34.9176.600000112.5K251 K252 Q253 Q258 M259 K260 V262K251-A255 PolarHBondContact O-N 3.15Å; K251-A255 VanDerWaalsContact O-N 3.1Å; K252-A255 PolarHBondContact O-N 3.33Å; Q253-A255 PolarHBondContact O-N 3.09Å; A255-Q258 CarbonylContact O-C 3.53Å; A255-Q258 PolarHBondContact O-N 2.87Å; A255-M259 PolarHBondContact O-N 2.97Å; A255-K260 HydrophobicContact CB-CB 4.39Å; A255-K260 WeakPolarHBondContact O-CB 3.47Å; A255-K260 PolarHBondContact O-N 2.65Å; A255-V262 HydrophobicContact CB-CG2 3.46Å; A255-V262 VanDerWaalsContact CB-CG2 3.46Å
256R90Very high88.8Confident103 Ų103100.5 Ų100.539%0.38948%0.484SS..Hα-helixtrans-63.5-41.9170.3-66.2172.4-169.5-117.917.9111.5K252 Q253 Q258 M259 D265K252-R256 WeakPolarHBondContact O-CG 3.28Å; K252-R256 PolarHBondContact O-N 3.48Å; Q253-R256 WeakPolarHBondContact O-CA 3.16Å; Q253-R256 WeakPolarHBondContact O-CB 3.33Å; Q253-R256 PolarHBondContact O-N 2.78Å; R256-Q258 PolarHBondContact O-N 3.02Å; R256-M259 PolarHBondContact O-N 3.14Å; R256-D265 IonicContact NH2-OD2 2.65Å; R256-D265 PolarHBondContact NH2-OD2 3.1Å
257D92.5Very high88.8Confident111 Ų111106.5 Ų106.559%0.59450%0.502SS*.Hα-helixtrans-62.9-27.7176.6-54.4-26.6000111.8Q253 M259Q253-D257 PolarHBondContact NE2-OD1 3.47Å; Q253-D257 PolarHBondContact O-N 3.5Å; D257-M259 VanDerWaalsContact C-N 3.29Å
258Q92.9Very high88.6Confident108 Ų108110.3 Ų110.351%0.50552%0.517SS..THydrogen-bonded Turntrans-87.612.9173.7-68.3179.12.400113.7R254 A255 R256 K260R254-Q258 WeakPolarHBondContact O-CG 3.14Å; R254-Q258 PolarHBondContact O-N 2.81Å; A255-Q258 CarbonylContact O-C 3.53Å; A255-Q258 PolarHBondContact O-N 2.87Å; R256-Q258 PolarHBondContact O-N 3.02Å; Q258-K260 HydrophobicContact CB-CD 4.39Å; Q258-K260 HydrophobicContact CB-CG 4.38Å; Q258-K260 PolarHBondContact O-N 2.8Å; Q258-K260 VanDerWaalsContact O-N 3.12Å
259M89.9Confident88.4Confident186 Ų186109.3 Ų109.392%0.91651%0.513SS*.THydrogen-bonded Turntrans54.926.3-177.1-59.2-176.7-179.800114.5A255 R256 D257A255-M259 PolarHBondContact O-N 2.97Å; R256-M259 PolarHBondContact O-N 3.14Å; D257-M259 VanDerWaalsContact C-N 3.29Å
260K91.7Very high88.1Confident123 Ų123105.9 Ų105.954%0.53551%0.509SS..  trans-84.3144.2174.1-67.7173.3177.5161.60110.1A255 Q258 V262A255-K260 HydrophobicContact CB-CB 4.39Å; A255-K260 WeakPolarHBondContact O-CB 3.47Å; A255-K260 PolarHBondContact O-N 2.65Å; Q258-K260 HydrophobicContact CB-CD 4.39Å; Q258-K260 HydrophobicContact CB-CG 4.38Å; Q258-K260 PolarHBondContact O-N 2.8Å; Q258-K260 VanDerWaalsContact O-N 3.12Å; K260-V262 PolarHBondContact O-N 3.43Å
261E88.9Confident87.7Confident203 Ų203109.2 Ų109.295%0.94952%0.517SS*.  trans-70.2124173.4-166.5-179.7174.800110.3
262V89.9Confident86.9Confident45 Ų45114.5 Ų114.527%0.27353%0.534SS..  trans-136.9135.4-177.4-177.40000109.5K252 A255 K260 R264K252-V262 HydrophobicContact CB-CG1 3.91Å; K252-V262 HydrophobicContact CD-CG1 3.93Å; K252-V262 HydrophobicContact CG-CG1 3.59Å; A255-V262 HydrophobicContact CB-CG2 3.46Å; A255-V262 VanDerWaalsContact CB-CG2 3.46Å; K260-V262 PolarHBondContact O-N 3.43Å; V262-R264 PolarHBondContact O-N 3.18Å
263A87Confident86.1Confident75 Ų75124.1 Ų124.162%0.6257%0.569SS**PPolyproline II helixtrans-56.5137177.500000112.4K252K252-A263 PolarHBondContact NZ-O 3.5Å
264R86.3Confident84.9Confident226 Ų226130.8 Ų130.885%0.85359%0.59SS**PPolyproline II helixtrans-53.5151.1177-68.1-175.6179.4176.10.2111.6K252 V262K252-R264 PolarHBondContact NZ-O 3Å; V262-R264 PolarHBondContact O-N 3.18Å
265D87.3Confident83.4Confident75 Ų75128 Ų12840%0.40160%0.598SS.*PPolyproline II helixtrans-73.6131.1174-62.1-49.2000109.6K252 R256K252-D265 WeakPolarHBondContact CD-OD1 3.34Å; K252-D265 WeakPolarHBondContact CE-OD1 3.42Å; K252-D265 IonicContact NZ-OD1 3.94Å; K252-D265 PolarHBondContact NZ-OD1 3.43Å; R256-D265 IonicContact NH2-OD2 2.65Å; R256-D265 PolarHBondContact NH2-OD2 3.1Å
266S84Confident82.2Confident65 Ų65136.5 Ų136.546%0.45563%0.631SS.*  trans-129.3166.8175.776.60000110.2Y268 T269S266-Y268 PolarHBondContact O-N 3Å; S266-Y268 PolarHBondContact OG-N 3.09Å; S266-T269 PolarHBondContact N-OG1 3.13Å; S266-T269 WeakPolarHBondContact O-CB 3.5Å; S266-T269 PolarHBondContact O-N 3.25Å; S266-T269 PolarHBondContact O-OG1 2.71Å
267K82.4Confident80.8Confident176 Ų176144.6 Ų144.677%0.76567%0.67SS**THydrogen-bonded Turntrans-58.5-10.3171.668.2179.7-175.2-178.60114.5
268Y80.3Confident80.2Confident142 Ų142146.3 Ų146.356%0.55767%0.674SS**THydrogen-bonded Turntrans-100.51.6177.6-54.3-75.9000113.2S266 G270 R271S266-Y268 PolarHBondContact O-N 3Å; S266-Y268 PolarHBondContact OG-N 3.09Å; Y268-G270 PolarHBondContact O-N 3.34Å; Y268-R271 PolarHBondContact O-N 3.27Å; Y268-R271 VanDerWaalsContact O-N 3.15Å
269T82.2Confident79.5Confident20 Ų20148.3 Ų148.312%0.12368%0.682CS.*THydrogen-bonded Turntrans-65.4118.6-177.6-53.20000110.5I248 S266 R271I248-T269 HydrophobicContact CG2-CG2 3.84Å; S266-T269 PolarHBondContact N-OG1 3.13Å; S266-T269 WeakPolarHBondContact O-CB 3.5Å; S266-T269 PolarHBondContact O-N 3.25Å; S266-T269 PolarHBondContact O-OG1 2.71Å; T269-R271 VanDerWaalsContact C-N 3.33Å
270G80.5Confident78.9Confident39 Ų39146.2 Ų146.240%0.40267%0.669SS.*THydrogen-bonded Turntrans84.2-1.6-178.300000115.4I248 Y268I248-G270 VanDerWaalsContact CD1-CA 3.45Å; Y268-G270 PolarHBondContact O-N 3.34Å
271R79.6Confident78.2Confident165 Ų165147.5 Ų147.562%0.62368%0.677SS**PPolyproline II helixtrans-77136.7176.5-160.1169-171.91682.7110.9Y268 T269 R273Y268-R271 PolarHBondContact O-N 3.27Å; Y268-R271 VanDerWaalsContact O-N 3.15Å; T269-R271 VanDerWaalsContact C-N 3.33Å; R271-R273 PolarHBondContact O-N 3.27Å
272R75.8Confident77.5Confident242 Ų242144.1 Ų144.191%0.91366%0.66SS**PPolyproline II helixtrans-62.1128.5176.4-165.9174.6-178.6-179.70.6109.6
273R74.1Confident76.7Confident234 Ų234150.7 Ų150.788%0.88369%0.686SS**PPolyproline II helixtrans-79137.4173-65.7-177.2-179168.1-0.2108.6R271R271-R273 PolarHBondContact O-N 3.27Å
274R63.7Low76Confident240 Ų240156.1 Ų156.191%0.90669%0.691SS**PPolyproline II helixtrans-59.9141.1169.9-67.2-174.3177.8-168.3-1.1108.7K276R274-K276 PolarHBondContact O-N 3.38Å
275A60.7Low75.2Confident88 Ų88150.7 Ų150.773%0.72768%0.679SS**PPolyproline II helixtrans-56.9125.4172.300000108.1
276K67Low74.1Confident201 Ų201157 Ų15787%0.87470%0.702SS**PPolyproline II helixtrans-77.8129.6164.9-83.7-172.3172.2-172.30106.6R274R274-K276 PolarHBondContact O-N 3.38Å
277F59.5Low73.3Confident272 Ų272165.4 Ų165.4100%1.19372%0.724SS**  trans-62.60167.9-46.4-81000109.7

Retrieved 277 of 277 residues in 127.1 ms (Link to these results)

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