A0A077ZJI1_TRITR Loading...

Methyltransferase-like protein 5

AlphaFold DB , UniProt , Accession A0A077ZJI1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 219 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
1M87.8Confident95.2Very high92 Ų9276.7 Ų76.745%0.45337%0.37SS..  0160.60178.8-177-69.100108.8Q5 L6 L9 A68 Q69M1-Q5 HydrophobicContact CG-CB 3.68Å; M1-Q5 HydrophobicContact SD-CB 3.93Å; M1-L6 HydrophobicContact SD-CB 4.03Å; M1-L6 HydrophobicContact SD-CD1 4.39Å; M1-L6 PolarHBondContact SD-N 3.43Å; M1-L9 HydrophobicContact CE-CD1 4.17Å; M1-A68 HydrophobicContact CE-CB 4.4Å; M1-Q69 VanDerWaalsContact CB-OE1 3.26Å; M1-Q69 PolarHBondContact O-OE1 3.28Å
2K93.2Very high95.2Very high155 Ų15579.6 Ų79.667%0.67439%0.389SS*.  trans-74.9145.7173.3-65-175.2179.5-179.30110.5K4 Q5 L6K2-K4 PolarHBondContact O-N 2.92Å; K2-Q5 HydrophobicContact CB-CG 4.31Å; K2-Q5 WeakPolarHBondContact O-CB 3.34Å; K2-Q5 PolarHBondContact O-N 3.43Å; K2-L6 PolarHBondContact O-N 3.23Å; K2-L6 VanDerWaalsContact O-N 3.1Å
3R95.3Very high95.3Very high78 Ų7874.6 Ų74.629%0.29437%0.366SS..Hα-helixtrans-46.9-50.3-178.9-166.3-171.867.568-0.9114.2Q5 L6 E7 A34 Y38R3-Q5 VanDerWaalsContact C-N 3.31Å; R3-Q5 PolarHBondContact O-N 3.33Å; R3-L6 WeakPolarHBondContact O-CB 3.36Å; R3-L6 PolarHBondContact O-N 3.04Å; R3-E7 IonicContact CZ-OE2 3.55Å; R3-E7 IonicContact NH1-OE2 2.83Å; R3-E7 PolarHBondContact NH1-OE2 3.4Å; R3-E7 PolarHBondContact O-N 3.42Å; R3-A34 HydrophobicContact CG-CB 4.42Å; R3-Y38 HydrophobicContact CB-CD1 4.34Å; R3-Y38 HydrophobicContact CB-CD2 3.82Å; R3-Y38 HydrophobicContact CB-CE2 4.25Å; R3-Y38 HydrophobicContact CB-CG 3.87Å; R3-Y38 HydrophobicContact CG-CD2 4.5Å; R3-Y38 HydrophobicContact CG-CG 4.12Å
4K95.7Very high95.4Very high146 Ų14678.3 Ų78.364%0.63538%0.382SS*.Hα-helixtrans-64.4-31.4179.4-71.3-169.5174.1-171.10113.9K2 N8K2-K4 PolarHBondContact O-N 2.92Å; K4-N8 WeakPolarHBondContact O-CB 3.43Å; K4-N8 PolarHBondContact O-N 2.99Å; K4-N8 PolarHBondContact O-ND2 3.28Å; K4-N8 PolarHBondContact O-OD1 2.99Å
5Q96.2Very high95.3Very high109 Ų10976.2 Ų76.251%0.50938%0.382SS..Hα-helixtrans-72.1-39.1176.8-65.7174.5-59.800110.4M1 K2 R3 N8 L9M1-Q5 HydrophobicContact CG-CB 3.68Å; M1-Q5 HydrophobicContact SD-CB 3.93Å; K2-Q5 HydrophobicContact CB-CG 4.31Å; K2-Q5 WeakPolarHBondContact O-CB 3.34Å; K2-Q5 PolarHBondContact O-N 3.43Å; R3-Q5 VanDerWaalsContact C-N 3.31Å; R3-Q5 PolarHBondContact O-N 3.33Å; Q5-N8 PolarHBondContact O-N 3Å; Q5-L9 WeakPolarHBondContact O-CB 3.32Å; Q5-L9 PolarHBondContact O-N 3.22Å
6L95.7Very high95Very high0 Ų073.2 Ų73.20%037%0.366CS..Hα-helixtrans-63-46.6174.2-178.861.7000111.1M1 K2 R3 N8 L9 L10 A34 L37 A68 Q69M1-L6 HydrophobicContact SD-CB 4.03Å; M1-L6 HydrophobicContact SD-CD1 4.39Å; M1-L6 PolarHBondContact SD-N 3.43Å; K2-L6 PolarHBondContact O-N 3.23Å; K2-L6 VanDerWaalsContact O-N 3.1Å; R3-L6 WeakPolarHBondContact O-CB 3.36Å; R3-L6 PolarHBondContact O-N 3.04Å; L6-N8 PolarHBondContact O-N 2.69Å; L6-L9 PolarHBondContact O-N 2.86Å; L6-L10 HydrophobicContact CD1-CD1 4.03Å; L6-L10 HydrophobicContact CD1-CG 4.12Å; L6-L10 HydrophobicContact CG-CD1 3.93Å; L6-L10 HydrophobicContact CG-CG 4.38Å; L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 VanDerWaalsContact O-CG 3.28Å; L6-L10 WeakPolarHBondContact O-CG 3.22Å; L6-L10 PolarHBondContact O-N 3.08Å; L6-A34 HydrophobicContact CB-CB 4.2Å; L6-A34 HydrophobicContact CD2-CB 4.09Å; L6-A34 HydrophobicContact CG-CB 3.96Å; L6-L37 HydrophobicContact CD2-CB 4.28Å; L6-A68 HydrophobicContact CD1-CB 3.63Å; L6-Q69 HydrophobicContact CD1-CG 4.33Å; L6-Q69 HydrophobicContact CD2-CG 3.62Å
7E97Very high94.7Very high44 Ų4474.4 Ų74.421%0.20638%0.38CS..Hα-helixtrans-57.1-47.2175.4-175.5-178.1149.500112.2R3 L9 L10 S11 E31 A34R3-E7 IonicContact CZ-OE2 3.55Å; R3-E7 IonicContact NH1-OE2 2.83Å; R3-E7 PolarHBondContact NH1-OE2 3.4Å; R3-E7 PolarHBondContact O-N 3.42Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 PolarHBondContact O-N 3.15Å; E7-L10 PolarHBondContact O-N 3.24Å; E7-S11 WeakPolarHBondContact O-CB 3.48Å; E7-S11 PolarHBondContact O-N 3Å; E7-S11 PolarHBondContact O-OG 2.8Å; E7-E31 HydrophobicContact CG-CB 4.48Å; E7-A34 HydrophobicContact CB-CB 3.73Å
8N97Very high94.4Very high107 Ų10779.4 Ų79.457%0.57239%0.393SS*.Hα-helixtrans-63.1-38.8177.2-73.2-9.2000112.4K4 Q5 L6 N12K4-N8 WeakPolarHBondContact O-CB 3.43Å; K4-N8 PolarHBondContact O-N 2.99Å; K4-N8 PolarHBondContact O-ND2 3.28Å; K4-N8 PolarHBondContact O-OD1 2.99Å; Q5-N8 PolarHBondContact O-N 3Å; L6-N8 PolarHBondContact O-N 2.69Å; N8-N12 PolarHBondContact O-ND2 2.69Å
9L95.8Very high94.3Very high36 Ų3678 Ų7819%0.18839%0.391CS..Hα-helixtrans-63.8-51.2176-176.9152.3000110M1 Q5 L6 E7 S11 N12 A68 F94 F97M1-L9 HydrophobicContact CE-CD1 4.17Å; Q5-L9 WeakPolarHBondContact O-CB 3.32Å; Q5-L9 PolarHBondContact O-N 3.22Å; L6-L9 PolarHBondContact O-N 2.86Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 PolarHBondContact O-N 3.15Å; L9-S11 PolarHBondContact O-N 3.49Å; L9-N12 PolarHBondContact O-N 2.86Å; L9-N12 PolarHBondContact O-ND2 3.33Å; L9-N12 VanDerWaalsContact O-ND2 3.07Å; L9-A68 HydrophobicContact CD1-CB 4.43Å; L9-A68 HydrophobicContact CD2-CB 4.39Å; L9-F94 HydrophobicContact CD2-CD1 3.93Å; L9-F94 HydrophobicContact CD2-CE1 3.57Å; L9-F94 HydrophobicContact CD2-CZ 4.2Å; L9-F94 HydrophobicContact CG-CD1 4.2Å; L9-F94 HydrophobicContact CG-CE1 3.77Å; L9-F94 WeakPolarHBondContact O-CZ 3.45Å; L9-F97 HydrophobicContact CD1-CE2 4.46Å; L9-F97 HydrophobicContact CD1-CZ 4.34Å; L9-F97 HydrophobicContact CD2-CE2 4.41Å
10L96.8Very high94.2Very high0 Ų077.3 Ų77.30%039%0.385CS..Hα-helixtrans-66.4-21.9-178.3-71-179.2000113.7L6 E7 N12 V13 A30 A33 A34 M61 L64L6-L10 HydrophobicContact CD1-CD1 4.03Å; L6-L10 HydrophobicContact CD1-CG 4.12Å; L6-L10 HydrophobicContact CG-CD1 3.93Å; L6-L10 HydrophobicContact CG-CG 4.38Å; L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 VanDerWaalsContact O-CG 3.28Å; L6-L10 WeakPolarHBondContact O-CG 3.22Å; L6-L10 PolarHBondContact O-N 3.08Å; E7-L10 PolarHBondContact O-N 3.24Å; L10-N12 PolarHBondContact O-N 3Å; L10-N12 VanDerWaalsContact O-N 3.13Å; L10-V13 HydrophobicContact CD2-CG2 4.04Å; L10-V13 VanDerWaalsContact O-CB 3.32Å; L10-V13 WeakPolarHBondContact O-CB 3.32Å; L10-V13 VanDerWaalsContact O-CG2 3.29Å; L10-V13 WeakPolarHBondContact O-CG2 3.42Å; L10-V13 PolarHBondContact O-N 3.19Å; L10-A30 HydrophobicContact CB-CB 3.73Å; L10-A33 HydrophobicContact CD1-CB 3.84Å; L10-A34 HydrophobicContact CD1-CB 4.42Å; L10-M61 HydrophobicContact CB-SD 3.76Å; L10-M61 HydrophobicContact CD1-SD 4.24Å; L10-M61 HydrophobicContact CD2-SD 4.05Å; L10-M61 HydrophobicContact CG-SD 4.23Å; L10-L64 HydrophobicContact CD2-CB 4.1Å
11S96.2Very high93.9Very high77 Ų7777 Ų7754%0.53839%0.385SS..THydrogen-bonded Turntrans-64.4-13.4174.5-620000113.4E7 L9E7-S11 WeakPolarHBondContact O-CB 3.48Å; E7-S11 PolarHBondContact O-N 3Å; E7-S11 PolarHBondContact O-OG 2.8Å; L9-S11 PolarHBondContact O-N 3.49Å
12N96Very high94Very high111 Ų11178.8 Ų78.859%0.59440%0.395SS*.THydrogen-bonded Turntrans-95.85.6174.9-49.6-81.5000113.1N8 L9 L10 E14 F94N8-N12 PolarHBondContact O-ND2 2.69Å; L9-N12 PolarHBondContact O-N 2.86Å; L9-N12 PolarHBondContact O-ND2 3.33Å; L9-N12 VanDerWaalsContact O-ND2 3.07Å; L10-N12 PolarHBondContact O-N 3Å; L10-N12 VanDerWaalsContact O-N 3.13Å; N12-E14 PolarHBondContact O-N 3.34Å; N12-F94 HydrophobicContact CB-CZ 3.96Å
13V96.6Very high93.9Very high15 Ų1574.6 Ų74.69%0.09138%0.38CS..  trans-76.5121.1175.3177.30000108.6L10 M61 L64 N90 F94L10-V13 HydrophobicContact CD2-CG2 4.04Å; L10-V13 VanDerWaalsContact O-CB 3.32Å; L10-V13 WeakPolarHBondContact O-CB 3.32Å; L10-V13 VanDerWaalsContact O-CG2 3.29Å; L10-V13 WeakPolarHBondContact O-CG2 3.42Å; L10-V13 PolarHBondContact O-N 3.19Å; V13-M61 HydrophobicContact CB-CE 3.77Å; V13-M61 HydrophobicContact CB-SD 4.2Å; V13-M61 HydrophobicContact CG1-CE 4.01Å; V13-M61 HydrophobicContact CG1-SD 4.46Å; V13-M61 HydrophobicContact CG2-CE 4.4Å; V13-M61 HydrophobicContact CG2-SD 4.18Å; V13-L64 HydrophobicContact CG1-CD1 4.22Å; V13-L64 HydrophobicContact CG2-CD1 3.78Å; V13-N90 WeakPolarHBondContact CG1-ND2 3.46Å; V13-F94 HydrophobicContact CG2-CE2 3.75Å; V13-F94 HydrophobicContact CG2-CZ 3.99Å
14E96Very high93.7Very high126 Ų12671.4 Ų71.459%0.58937%0.368SS*.  trans-67.6138.8176.8-69.9-67.8165.900110.9N12 T59 V86 N90N12-E14 PolarHBondContact O-N 3.34Å; E14-T59 VanDerWaalsContact O-CB 3.22Å; E14-T59 WeakPolarHBondContact O-CB 3.21Å; E14-T59 PolarHBondContact O-OG1 3.1Å; E14-V86 HydrophobicContact CB-CG1 4.34Å; E14-N90 WeakPolarHBondContact CB-OD1 3.36Å; E14-N90 PolarHBondContact N-ND2 2.97Å; E14-N90 PolarHBondContact N-OD1 2.95Å; E14-N90 PolarHBondContact O-ND2 3.24Å; E14-N90 VanDerWaalsContact O-ND2 3.07Å
15A94.2Very high93.5Very high47 Ų4765.2 Ų65.239%0.38834%0.342SS..  trans-87177.1178.300000111.7P17 V27A15-P17 WeakPolarHBondContact O-CD 3.42Å; A15-V27 HydrophobicContact CB-CG2 4.08Å
16F91.1Very high93.1Very high28 Ų2861.9 Ų61.912%0.12333%0.325CS..  trans-60.3123.3174.7-57.4-82.3000110.5R18 P19 Q25 V27 T59 A83F16-R18 PolarHBondContact O-N 2.87Å; F16-P19 HydrophobicContact CB-CB 4.05Å; F16-P19 HydrophobicContact CG-CB 4.48Å; F16-Q25 HydrophobicContact CD1-CB 4.39Å; F16-Q25 HydrophobicContact CD1-CG 4.36Å; F16-Q25 HydrophobicContact CD2-CB 4.06Å; F16-Q25 HydrophobicContact CE1-CB 4.14Å; F16-Q25 HydrophobicContact CE1-CG 3.86Å; F16-Q25 HydrophobicContact CE2-CB 3.82Å; F16-Q25 HydrophobicContact CE2-CG 4.35Å; F16-Q25 HydrophobicContact CG-CB 4.35Å; F16-Q25 HydrophobicContact CZ-CB 3.86Å; F16-Q25 HydrophobicContact CZ-CG 3.86Å; F16-V27 HydrophobicContact CD2-CG2 3.41Å; F16-V27 VanDerWaalsContact CD2-CG2 3.41Å; F16-V27 HydrophobicContact CE2-CG2 3.67Å; F16-T59 HydrophobicContact CD1-CG2 3.7Å; F16-T59 HydrophobicContact CD2-CG2 4.34Å; F16-T59 HydrophobicContact CE1-CG2 3.83Å; F16-T59 HydrophobicContact CE2-CG2 4.43Å; F16-T59 HydrophobicContact CG-CG2 3.97Å; F16-T59 HydrophobicContact CZ-CG2 4.19Å; F16-A83 HydrophobicContact CD1-CB 4.25Å; F16-A83 HydrophobicContact CE1-CB 3.66Å
17P89.5Confident92.7Very high93 Ų9364.7 Ų64.760%0.60434%0.342SS*.SBendtrans-65.6-29.6175.625.2-33.5000111.7A15 V86A15-P17 WeakPolarHBondContact O-CD 3.42Å; P17-V86 HydrophobicContact CG-CG2 4.22Å
18R90.1Very high92.5Very high165 Ų16563.1 Ų63.162%0.62334%0.335SS*.SBendtrans-144.785.1177.2-66-175.5-60.6-85.9-7110.3F16 K20 E82F16-R18 PolarHBondContact O-N 2.87Å; R18-K20 PolarHBondContact O-N 3Å; R18-E82 IonicContact CZ-OE2 2.9Å; R18-E82 IonicContact NH2-OE2 2.72Å; R18-E82 PolarHBondContact NH2-OE2 3.04Å
19P91Very high92.3Very high53 Ų5360.2 Ų60.234%0.34432%0.323SS..  trans-63.3132.3-178.125-33.5000111.9F16 Q25F16-P19 HydrophobicContact CB-CB 4.05Å; F16-P19 HydrophobicContact CG-CB 4.48Å; P19-Q25 HydrophobicContact CB-CB 4.2Å
20K92.6Very high92.3Very high64 Ų6459.1 Ų59.128%0.27832%0.319SS..  trans-88.7108.1-179.5-63.4174.5-175.3171.10109.8R18 L22 L23 E24 D80 E82R18-K20 PolarHBondContact O-N 3Å; K20-L22 PolarHBondContact O-N 3Å; K20-L23 HydrophobicContact CB-CB 4.31Å; K20-L23 HydrophobicContact CB-CD1 4.29Å; K20-L23 HydrophobicContact CB-CG 4.3Å; K20-L23 HydrophobicContact CD-CD1 3.98Å; K20-L23 PolarHBondContact O-N 3.39Å; K20-E24 PolarHBondContact O-N 3.07Å; K20-D80 WeakPolarHBondContact CD-OD2 3.35Å; K20-D80 WeakPolarHBondContact CE-OD2 3.4Å; K20-D80 IonicContact NZ-OD1 3.68Å; K20-D80 PolarHBondContact NZ-OD1 2.91Å; K20-D80 IonicContact NZ-OD2 3.8Å; K20-D80 PolarHBondContact NZ-OD2 3Å; K20-E82 WeakPolarHBondContact CE-OE1 3.43Å; K20-E82 IonicContact NZ-OE1 3.8Å; K20-E82 PolarHBondContact NZ-OE1 2.74Å
21L87.3Confident92.2Very high72 Ų7264.7 Ų64.738%0.37735%0.345SS..G310 helixtrans-57.7-34.2-179.6179.663.6000113.3L23 E24 Y192L21-L23 PolarHBondContact O-N 3.37Å; L21-E24 PolarHBondContact O-N 2.79Å; L21-Y192 HydrophobicContact CB-CE1 4.14Å; L21-Y192 HydrophobicContact CD1-CE1 3.81Å; L21-Y192 WeakPolarHBondContact CD1-OH 3.4Å; L21-Y192 HydrophobicContact CD2-CE1 4.5Å; L21-Y192 HydrophobicContact CG-CE1 4.36Å
22L90Very high92.1Very high128 Ų12861.7 Ų61.767%0.6732%0.323SS*.G310 helixtrans-67.2-26.6179.6-66.5176.5000112.8K20 N136K20-L22 PolarHBondContact O-N 3Å; L22-N136 PolarHBondContact O-ND2 3.33Å
23L91.8Very high92.2Very high68 Ų6856.4 Ų56.436%0.35630%0.295SS..G310 helixtrans-95.82.7176.7-61.3-178000112.5K20 L21 Q25 I79 D80K20-L23 HydrophobicContact CB-CB 4.31Å; K20-L23 HydrophobicContact CB-CD1 4.29Å; K20-L23 HydrophobicContact CB-CG 4.3Å; K20-L23 HydrophobicContact CD-CD1 3.98Å; K20-L23 PolarHBondContact O-N 3.39Å; L21-L23 PolarHBondContact O-N 3.37Å; L23-Q25 VanDerWaalsContact C-N 3.26Å; L23-Q25 HydrophobicContact CB-CG 4.07Å; L23-Q25 PolarHBondContact O-N 3.16Å; L23-I79 HydrophobicContact CD1-CG2 4.23Å; L23-I79 HydrophobicContact CD2-CG2 4.16Å; L23-D80 HydrophobicContact CD1-CB 3.87Å
24E91.2Very high92.2Very high10 Ų1055.7 Ų55.75%0.04729%0.291CS..THydrogen-bonded Turntrans51.343.7-177.9-67.5-176.7-98.600113.1K20 L21 Y26 P130 G132 T133 N136K20-E24 PolarHBondContact O-N 3.07Å; L21-E24 PolarHBondContact O-N 2.79Å; E24-Y26 HydrophobicContact CB-CD2 4.01Å; E24-Y26 HydrophobicContact CB-CE2 3.59Å; E24-Y26 HydrophobicContact CG-CE2 3.94Å; E24-Y26 WeakPolarHBondContact O-CD2 3.4Å; E24-Y26 PolarHBondContact O-N 2.86Å; E24-P130 HydrophobicContact CB-CB 3.8Å; E24-P130 HydrophobicContact CG-CB 4.42Å; E24-G132 PolarHBondContact OE1-N 3.22Å; E24-T133 VanDerWaalsContact CD-OG1 3.3Å; E24-T133 PolarHBondContact OE1-N 3.08Å; E24-T133 VanDerWaalsContact OE1-N 3.13Å; E24-T133 WeakPolarHBondContact OE2-CB 3.37Å; E24-T133 WeakPolarHBondContact OE2-CG2 3.29Å; E24-T133 PolarHBondContact OE2-N 2.8Å; E24-T133 PolarHBondContact OE2-OG1 3.22Å; E24-N136 VanDerWaalsContact OE1-CB 3.26Å; E24-N136 WeakPolarHBondContact OE1-CB 3.4Å; E24-N136 PolarHBondContact OE1-ND2 3.38Å
25Q91.4Very high92.2Very high16 Ų1651.3 Ų51.38%0.07527%0.274CS..  trans-69.668.3179.8-77.5178.1-26.400112.9F16 P19 L23 D80F16-Q25 HydrophobicContact CD1-CB 4.39Å; F16-Q25 HydrophobicContact CD1-CG 4.36Å; F16-Q25 HydrophobicContact CD2-CB 4.06Å; F16-Q25 HydrophobicContact CE1-CB 4.14Å; F16-Q25 HydrophobicContact CE1-CG 3.86Å; F16-Q25 HydrophobicContact CE2-CB 3.82Å; F16-Q25 HydrophobicContact CE2-CG 4.35Å; F16-Q25 HydrophobicContact CG-CB 4.35Å; F16-Q25 HydrophobicContact CZ-CB 3.86Å; F16-Q25 HydrophobicContact CZ-CG 3.86Å; P19-Q25 HydrophobicContact CB-CB 4.2Å; L23-Q25 VanDerWaalsContact C-N 3.26Å; L23-Q25 HydrophobicContact CB-CG 4.07Å; L23-Q25 PolarHBondContact O-N 3.16Å; Q25-D80 PolarHBondContact NE2-OD2 3.24Å
26Y87.2Confident92.3Very high40 Ų4049.4 Ų49.416%0.15726%0.258CS..PPolyproline II helixtrans-87.4124.7173-53.5-60.3000109.4E24 F131 L188 Y192E24-Y26 HydrophobicContact CB-CD2 4.01Å; E24-Y26 HydrophobicContact CB-CE2 3.59Å; E24-Y26 HydrophobicContact CG-CE2 3.94Å; E24-Y26 WeakPolarHBondContact O-CD2 3.4Å; E24-Y26 PolarHBondContact O-N 2.86Å; Y26-F131 HydrophobicContact CD2-CD2 4.3Å; Y26-F131 HydrophobicContact CD2-CE2 4.45Å; Y26-F131 HydrophobicContact CE2-CD2 4.44Å; Y26-L188 HydrophobicContact CD1-CD1 4.25Å; Y26-L188 HydrophobicContact CD1-CD2 3.29Å; Y26-L188 HydrophobicContact CD1-CG 4.42Å; Y26-L188 HydrophobicContact CE1-CD1 3.91Å; Y26-L188 HydrophobicContact CE1-CD2 3.84Å; Y26-L188 HydrophobicContact CG-CD2 3.8Å; Y26-Y192 WeakPolarHBondContact CE1-OH 3.35Å
27V88.1Confident92.7Very high59 Ų5948.1 Ų48.136%0.35825%0.252SS..PPolyproline II helixtrans-77.9128.5-176.6-178.50000110A15 F16 S29A15-V27 HydrophobicContact CB-CG2 4.08Å; F16-V27 HydrophobicContact CD2-CG2 3.41Å; F16-V27 VanDerWaalsContact CD2-CG2 3.41Å; F16-V27 HydrophobicContact CE2-CG2 3.67Å; V27-S29 PolarHBondContact O-N 2.97Å
28T92.9Very high92.9Very high11 Ų1147.7 Ų47.77%0.06724%0.239CC..PPolyproline II helixtrans-68.3124.4164.7-51.60000108.8I32 A33 M61 L62 N128 M158T28-I32 HydrophobicContact CG2-CB 4.1Å; T28-I32 HydrophobicContact CG2-CG2 3.68Å; T28-A33 HydrophobicContact CG2-CB 4.01Å; T28-M61 WeakPolarHBondContact O-CE 3.17Å; T28-M61 WeakPolarHBondContact O-CG 3.43Å; T28-L62 HydrophobicContact CG2-CD2 4.26Å; T28-N128 PolarHBondContact OG1-ND2 2.88Å; T28-M158 HydrophobicContact CG2-CE 3.92Å; T28-M158 HydrophobicContact CG2-SD 4.16Å
29S93.1Very high93.3Very high46 Ų4641.8 Ų41.832%0.32222%0.222SC..PPolyproline II helixtrans-68.2156177.774.20000111.6V27 E31 I32 A33V27-S29 PolarHBondContact O-N 2.97Å; S29-E31 PolarHBondContact O-N 2.72Å; S29-I32 PolarHBondContact O-N 2.66Å; S29-I32 WeakPolarHBondContact OG-CB 3.29Å; S29-I32 VanDerWaalsContact OG-CG1 3.32Å; S29-I32 WeakPolarHBondContact OG-CG1 3.25Å; S29-I32 PolarHBondContact OG-N 3.38Å; S29-A33 WeakPolarHBondContact O-CB 2.85Å; S29-A33 PolarHBondContact O-N 2.89Å
30A95.7Very high93.6Very high13 Ų1339.3 Ų39.311%0.10721%0.206CC..Hα-helixtrans-58.4-36.8175.800000112.5L10 A34 M61L10-A30 HydrophobicContact CB-CB 3.73Å; A30-A34 WeakPolarHBondContact O-CB 3.23Å; A30-A34 PolarHBondContact O-N 2.7Å; A30-M61 HydrophobicContact CB-SD 4.42Å
31E94.8Very high93.7Very high117 Ų11737.3 Ų37.355%0.54720%0.198SC..Hα-helixtrans-62.7-47.9176-178.9-176.9-175.200111.8E7 S29 S35E7-E31 HydrophobicContact CG-CB 4.48Å; S29-E31 PolarHBondContact O-N 2.72Å; E31-S35 VanDerWaalsContact O-CB 3.32Å; E31-S35 WeakPolarHBondContact O-CB 2.94Å; E31-S35 PolarHBondContact O-N 3.24Å; E31-S35 PolarHBondContact O-OG 2.82Å
32I94.9Very high94Very high14 Ų1437.7 Ų37.77%0.07220%0.203CC..Hα-helixtrans-65.7-48.9179.7-71.5170.5000109.9T28 S29 A34 S35 A36 M158 L184 F186T28-I32 HydrophobicContact CG2-CB 4.1Å; T28-I32 HydrophobicContact CG2-CG2 3.68Å; S29-I32 PolarHBondContact O-N 2.66Å; S29-I32 WeakPolarHBondContact OG-CB 3.29Å; S29-I32 VanDerWaalsContact OG-CG1 3.32Å; S29-I32 WeakPolarHBondContact OG-CG1 3.25Å; S29-I32 PolarHBondContact OG-N 3.38Å; I32-A34 PolarHBondContact O-N 3.32Å; I32-S35 PolarHBondContact O-N 2.85Å; I32-A36 VanDerWaalsContact O-CB 3.25Å; I32-A36 WeakPolarHBondContact O-CB 3.48Å; I32-A36 PolarHBondContact O-N 2.78Å; I32-M158 HydrophobicContact CG2-CE 3.56Å; I32-M158 HydrophobicContact CG2-SD 4.14Å; I32-L184 HydrophobicContact CG2-CD1 3.63Å; I32-F186 HydrophobicContact CD1-CD1 4.34Å; I32-F186 HydrophobicContact CD1-CD2 3.75Å; I32-F186 HydrophobicContact CD1-CE1 4.16Å; I32-F186 HydrophobicContact CD1-CE2 3.56Å; I32-F186 HydrophobicContact CD1-CG 4.15Å; I32-F186 HydrophobicContact CD1-CZ 3.77Å; I32-F186 HydrophobicContact CG2-CE2 4.19Å; I32-F186 HydrophobicContact CG2-CZ 4Å
33A97.4Very high94.3Very high0 Ų036.1 Ų36.10%020%0.199CC..Hα-helixtrans-59.2-46.4178.800000111.6L10 T28 S29 S35 A36 L37 M61 L62L10-A33 HydrophobicContact CD1-CB 3.84Å; T28-A33 HydrophobicContact CG2-CB 4.01Å; S29-A33 WeakPolarHBondContact O-CB 2.85Å; S29-A33 PolarHBondContact O-N 2.89Å; A33-S35 PolarHBondContact O-N 2.79Å; A33-A36 PolarHBondContact O-N 2.73Å; A33-L37 VanDerWaalsContact O-CB 3.31Å; A33-L37 WeakPolarHBondContact O-CB 3.44Å; A33-L37 WeakPolarHBondContact O-CG 3.49Å; A33-L37 PolarHBondContact O-N 3.03Å; A33-M61 HydrophobicContact CB-CG 3.56Å; A33-M61 HydrophobicContact CB-SD 4.18Å; A33-L62 HydrophobicContact CB-CD2 3.88Å
34A96.9Very high94.6Very high0 Ų035.1 Ų35.10%019%0.192CC..Hα-helixtrans-64.4-40.5178.800000112.3R3 L6 E7 L10 A30 I32 Y38R3-A34 HydrophobicContact CG-CB 4.42Å; L6-A34 HydrophobicContact CB-CB 4.2Å; L6-A34 HydrophobicContact CD2-CB 4.09Å; L6-A34 HydrophobicContact CG-CB 3.96Å; E7-A34 HydrophobicContact CB-CB 3.73Å; L10-A34 HydrophobicContact CD1-CB 4.42Å; A30-A34 WeakPolarHBondContact O-CB 3.23Å; A30-A34 PolarHBondContact O-N 2.7Å; I32-A34 PolarHBondContact O-N 3.32Å; A34-Y38 WeakPolarHBondContact O-CB 3.42Å; A34-Y38 PolarHBondContact O-N 3.25Å
35S95.5Very high94.9Very high34 Ų3439.6 Ų39.624%0.23822%0.216CC..Hα-helixtrans-70.8-41.7179.4-57.60000112.1E31 I32 A33 T39E31-S35 VanDerWaalsContact O-CB 3.32Å; E31-S35 WeakPolarHBondContact O-CB 2.94Å; E31-S35 PolarHBondContact O-N 3.24Å; E31-S35 PolarHBondContact O-OG 2.82Å; I32-S35 PolarHBondContact O-N 2.85Å; A33-S35 PolarHBondContact O-N 2.79Å; S35-T39 PolarHBondContact O-N 3.43Å; S35-T39 VanDerWaalsContact O-N 3.09Å; S35-T39 PolarHBondContact O-OG1 3.13Å
36A97Very high95.2Very high6 Ų639.4 Ų39.45%0.0522%0.215CC..Hα-helixtrans-60.6-57.4174.800000110.6I32 A33 Y38 T39 V40 M158 F206I32-A36 VanDerWaalsContact O-CB 3.25Å; I32-A36 WeakPolarHBondContact O-CB 3.48Å; I32-A36 PolarHBondContact O-N 2.78Å; A33-A36 PolarHBondContact O-N 2.73Å; A36-Y38 VanDerWaalsContact C-N 3.32Å; A36-Y38 PolarHBondContact O-N 2.97Å; A36-T39 WeakPolarHBondContact O-CA 2.91Å; A36-T39 VanDerWaalsContact O-CB 3.3Å; A36-T39 WeakPolarHBondContact O-CB 3.35Å; A36-T39 PolarHBondContact O-N 3.07Å; A36-V40 WeakPolarHBondContact O-CG2 3.36Å; A36-V40 PolarHBondContact O-N 2.86Å; A36-M158 HydrophobicContact CB-CE 4.09Å; A36-F206 HydrophobicContact CB-CD1 4.22Å; A36-F206 HydrophobicContact CB-CD2 4.3Å; A36-F206 HydrophobicContact CB-CE1 3.86Å; A36-F206 HydrophobicContact CB-CE2 3.95Å; A36-F206 HydrophobicContact CB-CG 4.44Å; A36-F206 HydrophobicContact CB-CZ 3.72Å
37L97.9Very high95.7Very high2 Ų237.5 Ų37.51%0.0121%0.208CC..Hα-helixtrans-66.3-31.2-177.5-70.1165.7000113.3L6 A33 T39 V40 D41 L62 G65 A66L6-L37 HydrophobicContact CD2-CB 4.28Å; A33-L37 VanDerWaalsContact O-CB 3.31Å; A33-L37 WeakPolarHBondContact O-CB 3.44Å; A33-L37 WeakPolarHBondContact O-CG 3.49Å; A33-L37 PolarHBondContact O-N 3.03Å; L37-T39 VanDerWaalsContact C-N 3.29Å; L37-V40 PolarHBondContact O-N 2.92Å; L37-D41 VanDerWaalsContact O-CB 3.23Å; L37-D41 WeakPolarHBondContact O-CB 3.44Å; L37-D41 PolarHBondContact O-N 3.5Å; L37-L62 HydrophobicContact CD1-CD2 4.43Å; L37-L62 WeakPolarHBondContact CD1-O 3.45Å; L37-G65 VanDerWaalsContact CD1-C 3.49Å; L37-G65 VanDerWaalsContact CD1-CA 3.5Å; L37-A66 HydrophobicContact CD2-CB 4.31Å
38Y95.3Very high96.2Very high84 Ų8441.3 Ų41.333%0.32922%0.219SC..Hα-helixtrans-64.9-36.6171-172.7-95000111.5R3 A34 A36 V42R3-Y38 HydrophobicContact CB-CD1 4.34Å; R3-Y38 HydrophobicContact CB-CD2 3.82Å; R3-Y38 HydrophobicContact CB-CE2 4.25Å; R3-Y38 HydrophobicContact CB-CG 3.87Å; R3-Y38 HydrophobicContact CG-CD2 4.5Å; R3-Y38 HydrophobicContact CG-CG 4.12Å; A34-Y38 WeakPolarHBondContact O-CB 3.42Å; A34-Y38 PolarHBondContact O-N 3.25Å; A36-Y38 VanDerWaalsContact C-N 3.32Å; A36-Y38 PolarHBondContact O-N 2.97Å; Y38-V42 HydrophobicContact CD1-CB 4.38Å; Y38-V42 HydrophobicContact CD1-CG2 4.13Å; Y38-V42 HydrophobicContact CD2-CG2 3.76Å; Y38-V42 HydrophobicContact CE1-CB 4.07Å; Y38-V42 HydrophobicContact CE1-CG1 4.29Å; Y38-V42 HydrophobicContact CE1-CG2 3.84Å; Y38-V42 HydrophobicContact CE2-CG2 3.42Å; Y38-V42 VanDerWaalsContact CE2-CG2 3.42Å; Y38-V42 HydrophobicContact CG-CG2 4.09Å; Y38-V42 VanDerWaalsContact CZ-CG2 3.47Å; Y38-V42 VanDerWaalsContact O-CB 3.26Å; Y38-V42 WeakPolarHBondContact O-CB 3.42Å; Y38-V42 WeakPolarHBondContact O-CG2 3.38Å; Y38-V42 PolarHBondContact O-N 2.79Å
39T96.5Very high96.4Very high41 Ų4142.3 Ų42.325%0.25223%0.232SC..Hα-helixtrans-68.1-46.2174.4-54.40000111S35 A36 L37 D41 T43 F44 L181S35-T39 PolarHBondContact O-N 3.43Å; S35-T39 VanDerWaalsContact O-N 3.09Å; S35-T39 PolarHBondContact O-OG1 3.13Å; A36-T39 WeakPolarHBondContact O-CA 2.91Å; A36-T39 VanDerWaalsContact O-CB 3.3Å; A36-T39 WeakPolarHBondContact O-CB 3.35Å; A36-T39 PolarHBondContact O-N 3.07Å; L37-T39 VanDerWaalsContact C-N 3.29Å; T39-D41 VanDerWaalsContact C-N 3.29Å; T39-D41 PolarHBondContact O-N 2.95Å; T39-T43 WeakPolarHBondContact O-CB 3.44Å; T39-T43 PolarHBondContact O-N 3.44Å; T39-F44 HydrophobicContact CG2-CD2 4.44Å; T39-F44 HydrophobicContact CG2-CE2 4.04Å; T39-L181 HydrophobicContact CG2-CD1 4.23Å
40V97.8Very high96.7Very high1 Ų142.1 Ų42.11%0.00623%0.225CC..Hα-helixtrans-57.4-43.3176.1-174.10000111.4A36 L37 F44 D45 E46 V47 F156 F206A36-V40 WeakPolarHBondContact O-CG2 3.36Å; A36-V40 PolarHBondContact O-N 2.86Å; L37-V40 PolarHBondContact O-N 2.92Å; V40-F44 WeakPolarHBondContact O-CB 3.47Å; V40-D45 PolarHBondContact O-N 2.99Å; V40-E46 HydrophobicContact CG1-CB 3.8Å; V40-E46 PolarHBondContact O-N 3.33Å; V40-E46 VanDerWaalsContact O-N 3.08Å; V40-V47 HydrophobicContact CB-CG2 3.64Å; V40-V47 HydrophobicContact CG1-CG2 3.45Å; V40-V47 VanDerWaalsContact CG1-CG2 3.45Å; V40-F156 HydrophobicContact CB-CE1 4.34Å; V40-F156 HydrophobicContact CB-CE2 4.4Å; V40-F156 HydrophobicContact CB-CZ 4.23Å; V40-F156 HydrophobicContact CG1-CD2 3.89Å; V40-F156 HydrophobicContact CG1-CE1 4.25Å; V40-F156 HydrophobicContact CG1-CE2 3.49Å; V40-F156 VanDerWaalsContact CG1-CE2 3.49Å; V40-F156 HydrophobicContact CG1-CG 4.43Å; V40-F156 HydrophobicContact CG1-CZ 3.68Å; V40-F156 HydrophobicContact CG2-CB 4.33Å; V40-F156 HydrophobicContact CG2-CD1 3.57Å; V40-F156 HydrophobicContact CG2-CD2 4Å; V40-F156 HydrophobicContact CG2-CE1 3.7Å; V40-F156 HydrophobicContact CG2-CE2 4.15Å; V40-F156 HydrophobicContact CG2-CG 3.7Å; V40-F156 HydrophobicContact CG2-CZ 3.99Å; V40-F206 HydrophobicContact CG2-CE1 4.27Å; V40-F206 HydrophobicContact CG2-CZ 3.78Å
41D95.8Very high96.8Very high21 Ų2143.3 Ų43.311%0.11223%0.231CC..Hα-helixtrans-73.9-58.7-179.2-174.739.3000111.9L37 T39 D45 V47 Q69L37-D41 VanDerWaalsContact O-CB 3.23Å; L37-D41 WeakPolarHBondContact O-CB 3.44Å; L37-D41 PolarHBondContact O-N 3.5Å; T39-D41 VanDerWaalsContact C-N 3.29Å; T39-D41 PolarHBondContact O-N 2.95Å; D41-D45 WeakPolarHBondContact O-CA 3.31Å; D41-D45 PolarHBondContact O-N 3.1Å; D41-V47 HydrophobicContact CB-CB 3.86Å; D41-V47 HydrophobicContact CB-CG2 3.86Å; D41-Q69 PolarHBondContact OD2-NE2 2.79Å
42V93.5Very high97Very high80 Ų8037.7 Ų37.749%0.48521%0.205SC..Hα-helixtrans-80.1-35-167.9-1800000113Y38Y38-V42 HydrophobicContact CD1-CB 4.38Å; Y38-V42 HydrophobicContact CD1-CG2 4.13Å; Y38-V42 HydrophobicContact CD2-CG2 3.76Å; Y38-V42 HydrophobicContact CE1-CB 4.07Å; Y38-V42 HydrophobicContact CE1-CG1 4.29Å; Y38-V42 HydrophobicContact CE1-CG2 3.84Å; Y38-V42 HydrophobicContact CE2-CG2 3.42Å; Y38-V42 VanDerWaalsContact CE2-CG2 3.42Å; Y38-V42 HydrophobicContact CG-CG2 4.09Å; Y38-V42 VanDerWaalsContact CZ-CG2 3.47Å; Y38-V42 VanDerWaalsContact O-CB 3.26Å; Y38-V42 WeakPolarHBondContact O-CB 3.42Å; Y38-V42 WeakPolarHBondContact O-CG2 3.38Å; Y38-V42 PolarHBondContact O-N 2.79Å
43T95.4Very high97.2Very high96 Ų9637 Ų3759%0.58920%0.202SC*.THydrogen-bonded Turntrans-86.8-35.9-178.4-55.10000111.8T39T39-T43 WeakPolarHBondContact O-CB 3.44Å; T39-T43 PolarHBondContact O-N 3.44Å
44F97.5Very high97.3Very high46 Ų4637.1 Ų37.120%0.20220%0.203CC..THydrogen-bonded Turntrans-112.8-8.5-172.5-61-73.9000114.8T39 V40 E46 F156 L181T39-F44 HydrophobicContact CG2-CD2 4.44Å; T39-F44 HydrophobicContact CG2-CE2 4.04Å; V40-F44 WeakPolarHBondContact O-CB 3.47Å; F44-E46 HydrophobicContact CB-CB 4.03Å; F44-E46 HydrophobicContact CB-CG 4.19Å; F44-E46 PolarHBondContact O-N 2.83Å; F44-F156 HydrophobicContact CB-CZ 4.33Å; F44-F156 AromaticContact CD2-CE1 3.89Å; F44-F156 HydrophobicContact CD2-CE1 3.89Å; F44-F156 AromaticContact CD2-CZ 3.99Å; F44-F156 HydrophobicContact CD2-CZ 3.99Å; F44-F156 HydrophobicContact CE2-CE1 4.17Å; F44-F156 HydrophobicContact CG-CZ 4.23Å; F44-L181 HydrophobicContact CE2-CD1 3.65Å; F44-L181 HydrophobicContact CE2-CD2 3.82Å; F44-L181 HydrophobicContact CE2-CG 4.4Å; F44-L181 HydrophobicContact CZ-CD1 4.24Å; F44-L181 HydrophobicContact CZ-CD2 3.59Å
45D97.5Very high97.4Very high105 Ų10537.1 Ų37.156%0.56120%0.203SC*.  trans53.337.9-175.3-166.346.3000112.3V40 D41 K50V40-D45 PolarHBondContact O-N 2.99Å; D41-D45 WeakPolarHBondContact O-CA 3.31Å; D41-D45 PolarHBondContact O-N 3.1Å; D45-K50 WeakPolarHBondContact O-CE 3.33Å; D45-K50 PolarHBondContact O-NZ 3.47Å
46E98.3Very high97.5Very high12 Ų1236.6 Ų36.66%0.05620%0.202CC..  trans-114.915.8-169-89.9179.2-176.100112.4V40 F44 V124 S154 F156 R208V40-E46 HydrophobicContact CG1-CB 3.8Å; V40-E46 PolarHBondContact O-N 3.33Å; V40-E46 VanDerWaalsContact O-N 3.08Å; F44-E46 HydrophobicContact CB-CB 4.03Å; F44-E46 HydrophobicContact CB-CG 4.19Å; F44-E46 PolarHBondContact O-N 2.83Å; E46-V124 HydrophobicContact CB-CG2 3.88Å; E46-V124 HydrophobicContact CG-CG2 4Å; E46-V124 WeakPolarHBondContact O-CG2 3.13Å; E46-S154 VanDerWaalsContact CD-OG 3.24Å; E46-S154 PolarHBondContact OE1-OG 3.43Å; E46-S154 WeakPolarHBondContact OE2-CB 3.33Å; E46-S154 PolarHBondContact OE2-OG 2.95Å; E46-F156 HydrophobicContact CB-CE2 4.26Å; E46-F156 HydrophobicContact CB-CZ 4.47Å; E46-F156 WeakPolarHBondContact OE2-CE2 3.49Å; E46-F156 WeakPolarHBondContact OE2-CZ 3.32Å; E46-R208 IonicContact OE1-CZ 3.24Å; E46-R208 IonicContact OE1-NE 3.86Å; E46-R208 IonicContact OE1-NH2 3.25Å; E46-R208 PolarHBondContact OE1-NH2 3.46Å; E46-R208 IonicContact OE2-CZ 2.7Å; E46-R208 IonicContact OE2-NE 3.91Å; E46-R208 PolarHBondContact OE2-NE 3.25Å; E46-R208 IonicContact OE2-NH2 3.8Å
47V98.4Very high97.5Very high0 Ų036.7 Ų36.70%020%0.203CC..SBendtrans-116.8-60.7170.1-177.70000112.3V40 D41 G49 K50 I52 A66 Q69 A71V40-V47 HydrophobicContact CB-CG2 3.64Å; V40-V47 HydrophobicContact CG1-CG2 3.45Å; V40-V47 VanDerWaalsContact CG1-CG2 3.45Å; D41-V47 HydrophobicContact CB-CB 3.86Å; D41-V47 HydrophobicContact CB-CG2 3.86Å; V47-G49 PolarHBondContact O-N 3.13Å; V47-K50 WeakPolarHBondContact O-CB 3.32Å; V47-K50 WeakPolarHBondContact O-CG 3.3Å; V47-K50 PolarHBondContact O-N 3.22Å; V47-K50 VanDerWaalsContact O-N 3.14Å; V47-I52 HydrophobicContact CB-CD1 4.35Å; V47-I52 HydrophobicContact CG1-CD1 3.93Å; V47-I52 HydrophobicContact CG2-CD1 4.46Å; V47-A66 HydrophobicContact CG1-CB 4.43Å; V47-Q69 HydrophobicContact CB-CB 4.44Å; V47-Q69 HydrophobicContact CG1-CB 3.58Å; V47-A71 HydrophobicContact CG1-CB 4.24Å; V47-A71 VanDerWaalsContact O-CA 3.29Å; V47-A71 WeakPolarHBondContact O-CA 3.46Å
48K97.5Very high97.5Very high138 Ų13836.9 Ų36.960%0.621%0.205SC*.THydrogen-bonded Turntrans-62.4129.2-173.4-170.8-179.7178.5-172.80111.5K50 G70K48-K50 VanDerWaalsContact C-N 3.26Å; K48-K50 PolarHBondContact O-N 2.9Å; K48-G70 CarbonylContact C-O 3.56Å; K48-G70 WeakPolarHBondContact CA-O 3.37Å
49G97.7Very high97.6Very high33 Ų3333.1 Ų33.134%0.3419%0.191SC..THydrogen-bonded Turntrans70.916.5-179.800000114.8V47 G70 D72V47-G49 PolarHBondContact O-N 3.13Å; G49-G70 PolarHBondContact N-O 3.37Å; G49-D72 WeakPolarHBondContact CA-OD1 3.48Å
50K98.7Very high97.7Very high41 Ų4131.1 Ų31.118%0.17818%0.179CC..  trans-106.9153.2-179.1-53.7-53.1180-174.30112D45 V47 K48 I52 D72 D123D45-K50 WeakPolarHBondContact O-CE 3.33Å; D45-K50 PolarHBondContact O-NZ 3.47Å; V47-K50 WeakPolarHBondContact O-CB 3.32Å; V47-K50 WeakPolarHBondContact O-CG 3.3Å; V47-K50 PolarHBondContact O-N 3.22Å; V47-K50 VanDerWaalsContact O-N 3.14Å; K48-K50 VanDerWaalsContact C-N 3.26Å; K48-K50 PolarHBondContact O-N 2.9Å; K50-I52 HydrophobicContact CB-CG1 4.21Å; K50-D72 PolarHBondContact O-N 3.42Å; K50-D123 HydrophobicContact CB-CB 4.15Å; K50-D123 HydrophobicContact CD-CB 4.35Å
51T98.8Very high97.7Very high38 Ų3831.9 Ų31.923%0.23318%0.182CC..EExtended strand (participates in β ladder)trans-85.4126.8161.159.80000109.9Y73 D123 V124T51-Y73 CarbonylContact C-O 3.54Å; T51-Y73 WeakPolarHBondContact CA-O 3.33Å; T51-D123 PolarHBondContact N-OD2 3.34Å; T51-D123 PolarHBondContact O-N 3.39Å; T51-D123 PolarHBondContact OG1-N 2.74Å; T51-D123 VanDerWaalsContact OG1-N 3.11Å; T51-D123 PolarHBondContact OG1-OD2 2.95Å; T51-V124 PolarHBondContact O-N 3.31Å
52I98.9Very high97.8Very high0 Ų031.3 Ų31.30%018%0.179CC..EExtended strand (participates in β ladder)trans-122.7136.9-174-59.1-178.7000110.7V47 K50 A66 A71 Y73 V74 V75 F122 V124 V126V47-I52 HydrophobicContact CB-CD1 4.35Å; V47-I52 HydrophobicContact CG1-CD1 3.93Å; V47-I52 HydrophobicContact CG2-CD1 4.46Å; K50-I52 HydrophobicContact CB-CG1 4.21Å; I52-A66 HydrophobicContact CD1-CB 3.89Å; I52-A71 HydrophobicContact CD1-CB 3.75Å; I52-A71 HydrophobicContact CG1-CB 4.26Å; I52-Y73 PolarHBondContact N-O 3.32Å; I52-V74 HydrophobicContact CB-CG1 4.28Å; I52-V74 HydrophobicContact CB-CG2 4.36Å; I52-V74 HydrophobicContact CG2-CG1 4.39Å; I52-V74 CarbonylContact O-C 3.53Å; I52-V74 VanDerWaalsContact O-CA 3.27Å; I52-V74 WeakPolarHBondContact O-CA 3.34Å; I52-V75 PolarHBondContact O-N 3.38Å; I52-F122 VanDerWaalsContact C-CD1 3.48Å; I52-V124 VanDerWaalsContact CA-O 3.29Å; I52-V124 WeakPolarHBondContact CA-O 3.21Å; I52-V124 HydrophobicContact CG1-CB 4.41Å; I52-V126 HydrophobicContact CG2-CG1 4.25Å; I52-V126 HydrophobicContact CG2-CG2 3.95Å
53A98.9Very high98Very high0 Ų027.5 Ų27.50%016%0.156CC..EExtended strand (participates in β ladder)trans-106.1138.3163.900000110.6L55 V75 F77 F122 V124 V125 V126 L150A53-L55 HydrophobicContact CB-CD2 4.41Å; A53-V75 CarbonylContact C-O 3.48Å; A53-V75 WeakPolarHBondContact CA-O 3.2Å; A53-F77 HydrophobicContact CB-CD2 4.36Å; A53-F77 HydrophobicContact CB-CE2 3.96Å; A53-F122 HydrophobicContact CB-CB 4.19Å; A53-F122 HydrophobicContact CB-CD1 3.69Å; A53-F122 HydrophobicContact CB-CD2 3.66Å; A53-F122 HydrophobicContact CB-CE1 3.9Å; A53-F122 HydrophobicContact CB-CE2 3.88Å; A53-F122 HydrophobicContact CB-CG 3.55Å; A53-F122 HydrophobicContact CB-CZ 3.99Å; A53-V124 PolarHBondContact N-O 3.06Å; A53-V125 HydrophobicContact CB-CG2 4.1Å; A53-V125 CarbonylContact O-C 3.55Å; A53-V125 WeakPolarHBondContact O-CA 3.26Å; A53-V126 PolarHBondContact O-N 3.46Å; A53-L150 HydrophobicContact CB-CD1 4.5Å
54D98.8Very high98.2Very high2 Ų223 Ų231%0.01113%0.128CC..EExtended strand (participates in β ladder)trans-112.1106173.6-172.75.5000108.7C57 L62 M63 V75 F77 V126D54-C57 HydrophobicContact CB-CB 3.9Å; D54-C57 VanDerWaalsContact CG-CB 3.5Å; D54-C57 WeakPolarHBondContact OD2-CB 3.26Å; D54-L62 WeakPolarHBondContact OD2-CB 3.5Å; D54-M63 HydrophobicContact CB-CB 4Å; D54-M63 WeakPolarHBondContact OD2-CB 3.48Å; D54-M63 PolarHBondContact OD2-N 2.99Å; D54-V75 PolarHBondContact N-O 3.17Å; D54-F77 PolarHBondContact O-N 3.33Å; D54-V126 WeakPolarHBondContact CA-O 3.16Å; D54-V126 HydrophobicContact CB-CG2 3.99Å
55L98.7Very high98.2Very high0 Ų020.8 Ų20.80%012%0.119CC..EExtended strand (participates in β ladder)trans-91.9121.4-176.5-54.3-171.7000111.1A53 F77 V107 V125 V126 M127 F143 A146 L150A53-L55 HydrophobicContact CB-CD2 4.41Å; L55-F77 HydrophobicContact CD2-CB 4.07Å; L55-F77 HydrophobicContact CD2-CD2 3.61Å; L55-F77 HydrophobicContact CD2-CE2 4.33Å; L55-F77 HydrophobicContact CD2-CG 4.04Å; L55-V107 HydrophobicContact CD2-CG1 4.01Å; L55-V125 HydrophobicContact CD1-CG1 4.01Å; L55-V125 HydrophobicContact CG-CG1 3.86Å; L55-V126 PolarHBondContact N-O 3.02Å; L55-V126 VanDerWaalsContact N-O 3.1Å; L55-M127 HydrophobicContact CB-CB 4.13Å; L55-M127 HydrophobicContact CB-SD 4.44Å; L55-M127 HydrophobicContact CD1-SD 4.5Å; L55-M127 VanDerWaalsContact O-CB 3.28Å; L55-M127 WeakPolarHBondContact O-CB 3.37Å; L55-F143 HydrophobicContact CB-CD1 4.02Å; L55-F143 HydrophobicContact CB-CE1 4.22Å; L55-A146 HydrophobicContact CD1-CB 4.1Å; L55-L150 HydrophobicContact CD1-CD1 4.19Å; L55-L150 HydrophobicContact CD2-CD1 3.68Å; L55-L150 HydrophobicContact CG-CD1 4.47Å
56G98.1Very high98.2Very high23 Ų2315.8 Ų15.824%0.2379%0.092CC..THydrogen-bonded Turntrans71.747.5-168.200000110.6G58 F77G56-G58 PolarHBondContact O-N 2.93Å; G56-G58 VanDerWaalsContact O-N 3.09Å; G56-F77 VanDerWaalsContact CA-O 3.3Å; G56-F77 WeakPolarHBondContact CA-O 3.3Å; G56-F77 PolarHBondContact N-O 2.88Å
57C98.4Very high98.2Very high8 Ų815.5 Ų15.55%0.0549%0.091CC..  trans-64.1-17.9-169.667.80000113.6D54 T59 G60 M63 F77D54-C57 HydrophobicContact CB-CB 3.9Å; D54-C57 VanDerWaalsContact CG-CB 3.5Å; D54-C57 WeakPolarHBondContact OD2-CB 3.26Å; C57-T59 PolarHBondContact O-N 2.98Å; C57-G60 WeakPolarHBondContact O-CA 3.42Å; C57-G60 PolarHBondContact O-N 2.86Å; C57-M63 HydrophobicContact CB-SD 3.9Å; C57-F77 PolarHBondContact N-O 2.93Å; C57-F77 VanDerWaalsContact N-O 3.08Å
58G97.5Very high98.1Very high6 Ų616.1 Ų16.16%0.06210%0.096CC..THydrogen-bonded Turntrans57.7-125.5177.800000111.5G56 G60 D78 A83 C87G56-G58 PolarHBondContact O-N 2.93Å; G56-G58 VanDerWaalsContact O-N 3.09Å; G58-G60 PolarHBondContact O-N 2.72Å; G58-D78 WeakPolarHBondContact CA-OD2 3.5Å; G58-D78 PolarHBondContact N-OD2 3.18Å; G58-A83 CarbonylContact O-C 3.56Å; G58-C87 WeakPolarHBondContact O-CB 3.46Å
59T97.3Very high98Very high4 Ų49.9 Ų9.93%0.0257%0.069CC..THydrogen-bonded Turntrans-85.58.5177.466.70000114E14 F16 C57 V86 C87 N90E14-T59 VanDerWaalsContact O-CB 3.22Å; E14-T59 WeakPolarHBondContact O-CB 3.21Å; E14-T59 PolarHBondContact O-OG1 3.1Å; F16-T59 HydrophobicContact CD1-CG2 3.7Å; F16-T59 HydrophobicContact CD2-CG2 4.34Å; F16-T59 HydrophobicContact CE1-CG2 3.83Å; F16-T59 HydrophobicContact CE2-CG2 4.43Å; F16-T59 HydrophobicContact CG-CG2 3.97Å; F16-T59 HydrophobicContact CZ-CG2 4.19Å; C57-T59 PolarHBondContact O-N 2.98Å; T59-V86 HydrophobicContact CG2-CB 4Å; T59-V86 HydrophobicContact CG2-CG1 3.61Å; T59-C87 WeakPolarHBondContact O-CA 3.06Å; T59-N90 PolarHBondContact O-ND2 3.23Å
60G98Very high97.9Very high0 Ų09.8 Ų9.80%07%0.068CC..SBendtrans94.714.4168.300000116.2C57 G58 L62 M63 L64 C87C57-G60 WeakPolarHBondContact O-CA 3.42Å; C57-G60 PolarHBondContact O-N 2.86Å; G58-G60 PolarHBondContact O-N 2.72Å; G60-L62 PolarHBondContact O-N 2.7Å; G60-M63 VanDerWaalsContact O-CG 3.3Å; G60-M63 WeakPolarHBondContact O-CG 3.3Å; G60-M63 PolarHBondContact O-N 3.47Å; G60-L64 VanDerWaalsContact O-CB 3.24Å; G60-L64 WeakPolarHBondContact O-CB 3.41Å; G60-L64 WeakPolarHBondContact O-CG 3.32Å; G60-L64 PolarHBondContact O-N 3.32Å; G60-C87 WeakPolarHBondContact CA-SG 3.26Å
61M98Very high97.9Very high16 Ų168 Ų88%0.0796%0.061CC..Hα-helixtrans-55.7-48.3-174.3-17766.771.500113.4L10 V13 T28 A30 A33 G65L10-M61 HydrophobicContact CB-SD 3.76Å; L10-M61 HydrophobicContact CD1-SD 4.24Å; L10-M61 HydrophobicContact CD2-SD 4.05Å; L10-M61 HydrophobicContact CG-SD 4.23Å; V13-M61 HydrophobicContact CB-CE 3.77Å; V13-M61 HydrophobicContact CB-SD 4.2Å; V13-M61 HydrophobicContact CG1-CE 4.01Å; V13-M61 HydrophobicContact CG1-SD 4.46Å; V13-M61 HydrophobicContact CG2-CE 4.4Å; V13-M61 HydrophobicContact CG2-SD 4.18Å; T28-M61 WeakPolarHBondContact O-CE 3.17Å; T28-M61 WeakPolarHBondContact O-CG 3.43Å; A30-M61 HydrophobicContact CB-SD 4.42Å; A33-M61 HydrophobicContact CB-CG 3.56Å; A33-M61 HydrophobicContact CB-SD 4.18Å; M61-G65 PolarHBondContact O-N 2.9Å
62L98.5Very high97.9Very high10 Ų1011.2 Ų11.25%0.0528%0.077CC..Hα-helixtrans-74.9-47.2-178.9-67177.8000111T28 A33 L37 D54 G60 L64 G65 A66 V126 N128 M158T28-L62 HydrophobicContact CG2-CD2 4.26Å; A33-L62 HydrophobicContact CB-CD2 3.88Å; L37-L62 HydrophobicContact CD1-CD2 4.43Å; L37-L62 WeakPolarHBondContact CD1-O 3.45Å; D54-L62 WeakPolarHBondContact OD2-CB 3.5Å; G60-L62 PolarHBondContact O-N 2.7Å; L62-L64 PolarHBondContact O-N 2.94Å; L62-G65 PolarHBondContact O-N 3.38Å; L62-G65 VanDerWaalsContact O-N 3.14Å; L62-A66 PolarHBondContact O-N 3.08Å; L62-V126 HydrophobicContact CB-CG2 4.16Å; L62-V126 HydrophobicContact CD1-CG2 4.48Å; L62-N128 HydrophobicContact CD1-CB 4.46Å; L62-M158 HydrophobicContact CD2-CE 4.35Å
63M97.9Very high97.9Very high0 Ų015.5 Ų15.50%09%0.094CC..Hα-helixtrans-61.2-40.8178.160.9-179.2-52.200114.3D54 C57 G60 G65 A66 C67 V74 F91 A100 L102D54-M63 HydrophobicContact CB-CB 4Å; D54-M63 WeakPolarHBondContact OD2-CB 3.48Å; D54-M63 PolarHBondContact OD2-N 2.99Å; C57-M63 HydrophobicContact CB-SD 3.9Å; G60-M63 VanDerWaalsContact O-CG 3.3Å; G60-M63 WeakPolarHBondContact O-CG 3.3Å; G60-M63 PolarHBondContact O-N 3.47Å; M63-G65 VanDerWaalsContact C-N 3.29Å; M63-G65 PolarHBondContact O-N 3.1Å; M63-A66 WeakPolarHBondContact O-CB 3.48Å; M63-A66 PolarHBondContact O-N 3.34Å; M63-C67 PolarHBondContact O-N 3.29Å; M63-C67 PolarHBondContact O-SG 2.94Å; M63-V74 HydrophobicContact CB-CG1 3.52Å; M63-V74 HydrophobicContact CE-CG1 4.46Å; M63-F91 HydrophobicContact CB-CZ 4.48Å; M63-F91 HydrophobicContact CE-CE2 3.52Å; M63-F91 HydrophobicContact CE-CZ 3.62Å; M63-F91 HydrophobicContact CG-CE2 3.79Å; M63-F91 HydrophobicContact CG-CZ 3.94Å; M63-F91 HydrophobicContact SD-CE2 3.73Å; M63-F91 HydrophobicContact SD-CZ 4.24Å; M63-A100 HydrophobicContact CE-CB 3.96Å; M63-L102 HydrophobicContact CE-CD2 3.61Å; M63-L102 HydrophobicContact SD-CD2 3.6Å
64L97.9Very high97.9Very high0 Ų015.5 Ų15.50%09%0.094CC..Hα-helixtrans-62.1-40.4173.7-81.3163.2000111.2L10 V13 G60 L62 A66 C67 A68 N90 F91 F94 F97L10-L64 HydrophobicContact CD2-CB 4.1Å; V13-L64 HydrophobicContact CG1-CD1 4.22Å; V13-L64 HydrophobicContact CG2-CD1 3.78Å; G60-L64 VanDerWaalsContact O-CB 3.24Å; G60-L64 WeakPolarHBondContact O-CB 3.41Å; G60-L64 WeakPolarHBondContact O-CG 3.32Å; G60-L64 PolarHBondContact O-N 3.32Å; L62-L64 PolarHBondContact O-N 2.94Å; L64-A66 VanDerWaalsContact C-N 3.35Å; L64-C67 PolarHBondContact O-N 2.91Å; L64-A68 WeakPolarHBondContact O-CB 3.28Å; L64-A68 PolarHBondContact O-N 3.27Å; L64-N90 HydrophobicContact CD1-CB 3.8Å; L64-F91 HydrophobicContact CB-CZ 4.48Å; L64-F91 HydrophobicContact CD1-CE2 4.39Å; L64-F91 HydrophobicContact CD2-CD1 3.59Å; L64-F91 HydrophobicContact CD2-CD2 3.95Å; L64-F91 HydrophobicContact CD2-CE1 3.45Å; L64-F91 VanDerWaalsContact CD2-CE1 3.45Å; L64-F91 HydrophobicContact CD2-CE2 3.81Å; L64-F91 HydrophobicContact CD2-CG 3.84Å; L64-F91 HydrophobicContact CD2-CZ 3.55Å; L64-F91 HydrophobicContact CG-CD1 4.49Å; L64-F91 HydrophobicContact CG-CD2 4.1Å; L64-F91 HydrophobicContact CG-CE1 4.09Å; L64-F91 HydrophobicContact CG-CE2 3.65Å; L64-F91 HydrophobicContact CG-CG 4.5Å; L64-F91 HydrophobicContact CG-CZ 3.63Å; L64-F94 HydrophobicContact CD1-CD2 3.96Å; L64-F94 HydrophobicContact CD1-CE2 4.1Å; L64-F94 HydrophobicContact CD2-CB 4.12Å; L64-F94 HydrophobicContact CD2-CD2 3.84Å; L64-F94 HydrophobicContact CD2-CG 4.21Å; L64-F97 HydrophobicContact CD2-CD2 4.07Å
65G97.8Very high97.9Very high0 Ų016 Ų160%010%0.096CC..Hα-helixtrans-65.6-39.1177.200000112.4L37 M61 L62 M63 A68 Q69L37-G65 VanDerWaalsContact CD1-C 3.49Å; L37-G65 VanDerWaalsContact CD1-CA 3.5Å; M61-G65 PolarHBondContact O-N 2.9Å; L62-G65 PolarHBondContact O-N 3.38Å; L62-G65 VanDerWaalsContact O-N 3.14Å; M63-G65 VanDerWaalsContact C-N 3.29Å; M63-G65 PolarHBondContact O-N 3.1Å; G65-A68 PolarHBondContact O-N 2.84Å; G65-Q69 WeakPolarHBondContact O-CB 3.3Å; G65-Q69 WeakPolarHBondContact O-CG 3.34Å; G65-Q69 PolarHBondContact O-N 2.78Å
66A98.5Very high97.9Very high0 Ų016 Ų160%010%0.096CC..Hα-helixtrans-61.7-46.6173.500000111.6L37 V47 I52 L62 M63 L64 A68 Q69 G70 A71 V74L37-A66 HydrophobicContact CD2-CB 4.31Å; V47-A66 HydrophobicContact CG1-CB 4.43Å; I52-A66 HydrophobicContact CD1-CB 3.89Å; L62-A66 PolarHBondContact O-N 3.08Å; M63-A66 WeakPolarHBondContact O-CB 3.48Å; M63-A66 PolarHBondContact O-N 3.34Å; L64-A66 VanDerWaalsContact C-N 3.35Å; A66-A68 VanDerWaalsContact C-N 3.35Å; A66-A68 PolarHBondContact O-N 3.16Å; A66-Q69 PolarHBondContact O-N 3.49Å; A66-G70 PolarHBondContact O-N 2.98Å; A66-A71 HydrophobicContact CB-CB 4.28Å; A66-A71 WeakPolarHBondContact O-CB 3.36Å; A66-A71 PolarHBondContact O-N 3.49Å; A66-V74 HydrophobicContact CB-CG2 4.08Å
67C98Very high97.9Very high6 Ų615 Ų154%0.0419%0.086CC..Hα-helixtrans-57.7-46.2172.6-700000111.7M63 L64 Q69 G70 V74 F97M63-C67 PolarHBondContact O-N 3.29Å; M63-C67 PolarHBondContact O-SG 2.94Å; L64-C67 PolarHBondContact O-N 2.91Å; C67-Q69 PolarHBondContact O-N 3.28Å; C67-G70 PolarHBondContact O-N 2.93Å; C67-V74 VanDerWaalsContact SG-CG2 3.55Å; C67-F97 HydrophobicContact CB-CB 4.07Å; C67-F97 HydrophobicContact CB-CD1 3.83Å; C67-F97 HydrophobicContact CB-CD2 4.37Å; C67-F97 HydrophobicContact CB-CE1 4.41Å; C67-F97 HydrophobicContact CB-CG 3.82Å
68A96.3Very high97.9Very high13 Ų1315.4 Ų15.411%0.1079%0.088CC..Hα-helixtrans-64-25.1179.100000113.8M1 L6 L9 L64 G65 A66 G70 F97M1-A68 HydrophobicContact CE-CB 4.4Å; L6-A68 HydrophobicContact CD1-CB 3.63Å; L9-A68 HydrophobicContact CD1-CB 4.43Å; L9-A68 HydrophobicContact CD2-CB 4.39Å; L64-A68 WeakPolarHBondContact O-CB 3.28Å; L64-A68 PolarHBondContact O-N 3.27Å; G65-A68 PolarHBondContact O-N 2.84Å; A66-A68 VanDerWaalsContact C-N 3.35Å; A66-A68 PolarHBondContact O-N 3.16Å; A68-G70 VanDerWaalsContact C-N 3.34Å; A68-F97 HydrophobicContact CB-CE1 4.21Å; A68-F97 HydrophobicContact CB-CE2 4.14Å; A68-F97 HydrophobicContact CB-CZ 3.57Å
69Q96Very high98Very high7 Ų718.9 Ų18.93%0.03310%0.104CC..Hα-helixtrans-87.7-3.5174.9-74.8-76.481.900113.4M1 L6 D41 V47 G65 A66 C67M1-Q69 VanDerWaalsContact CB-OE1 3.26Å; M1-Q69 PolarHBondContact O-OE1 3.28Å; L6-Q69 HydrophobicContact CD1-CG 4.33Å; L6-Q69 HydrophobicContact CD2-CG 3.62Å; D41-Q69 PolarHBondContact OD2-NE2 2.79Å; V47-Q69 HydrophobicContact CB-CB 4.44Å; V47-Q69 HydrophobicContact CG1-CB 3.58Å; G65-Q69 WeakPolarHBondContact O-CB 3.3Å; G65-Q69 WeakPolarHBondContact O-CG 3.34Å; G65-Q69 PolarHBondContact O-N 2.78Å; A66-Q69 PolarHBondContact O-N 3.49Å; C67-Q69 PolarHBondContact O-N 3.28Å
70G96Very high98Very high31 Ų3119.3 Ų19.332%0.3211%0.106SC..THydrogen-bonded Turntrans91.428.7173.100000114.2K48 G49 A66 C67 A68K48-G70 CarbonylContact C-O 3.56Å; K48-G70 WeakPolarHBondContact CA-O 3.37Å; G49-G70 PolarHBondContact N-O 3.37Å; A66-G70 PolarHBondContact O-N 2.98Å; C67-G70 PolarHBondContact O-N 2.93Å; A68-G70 VanDerWaalsContact C-N 3.34Å
71A98.4Very high98Very high3 Ų325.2 Ų25.23%0.02513%0.132CC..  trans-53.9142.4161.800000110.1V47 I52 A66 V74 N99V47-A71 HydrophobicContact CG1-CB 4.24Å; V47-A71 VanDerWaalsContact O-CA 3.29Å; V47-A71 WeakPolarHBondContact O-CA 3.46Å; I52-A71 HydrophobicContact CD1-CB 3.75Å; I52-A71 HydrophobicContact CG1-CB 4.26Å; A66-A71 HydrophobicContact CB-CB 4.28Å; A66-A71 WeakPolarHBondContact O-CB 3.36Å; A66-A71 PolarHBondContact O-N 3.49Å; A71-V74 HydrophobicContact CB-CG2 3.61Å; A71-N99 PolarHBondContact O-ND2 2.84Å
72D98.2Very high97.9Very high107 Ų10728.3 Ų28.357%0.57215%0.146SC*.SBendtrans-73.5-41.1-178.5-88.4-4.9000110.7G49 K50 N99G49-D72 WeakPolarHBondContact CA-OD1 3.48Å; K50-D72 PolarHBondContact O-N 3.42Å; D72-N99 WeakPolarHBondContact O-CB 3.38Å; D72-N99 PolarHBondContact O-ND2 2.97Å
73Y98.7Very high97.9Very high90 Ų9027.9 Ų27.935%0.35314%0.144SC..EExtended strand (participates in β ladder)trans-154.7136.5178.2-171.6-109.5000111.1T51 I52 V75 N99 D101T51-Y73 CarbonylContact C-O 3.54Å; T51-Y73 WeakPolarHBondContact CA-O 3.33Å; I52-Y73 PolarHBondContact N-O 3.32Å; Y73-V75 HydrophobicContact CD1-CG2 4Å; Y73-V75 HydrophobicContact CE1-CG2 3.46Å; Y73-V75 VanDerWaalsContact CE1-CG2 3.46Å; Y73-N99 WeakPolarHBondContact CA-O 3.26Å; Y73-N99 HydrophobicContact CD2-CB 4.49Å; Y73-N99 WeakPolarHBondContact CD2-O 3.19Å; Y73-D101 PolarHBondContact OH-OD2 2.84Å
74V98.9Very high97.9Very high0 Ų028.5 Ų28.50%015%0.147CC..EExtended strand (participates in β ladder)trans-126.9130.5-175.5-1690000111.1I52 M63 A66 C67 A71 N99 A100 D101I52-V74 HydrophobicContact CB-CG1 4.28Å; I52-V74 HydrophobicContact CB-CG2 4.36Å; I52-V74 HydrophobicContact CG2-CG1 4.39Å; I52-V74 CarbonylContact O-C 3.53Å; I52-V74 VanDerWaalsContact O-CA 3.27Å; I52-V74 WeakPolarHBondContact O-CA 3.34Å; M63-V74 HydrophobicContact CB-CG1 3.52Å; M63-V74 HydrophobicContact CE-CG1 4.46Å; A66-V74 HydrophobicContact CB-CG2 4.08Å; C67-V74 VanDerWaalsContact SG-CG2 3.55Å; A71-V74 HydrophobicContact CB-CG2 3.61Å; V74-N99 PolarHBondContact N-O 3.1Å; V74-A100 HydrophobicContact CB-CB 4.31Å; V74-A100 CarbonylContact O-C 3.59Å; V74-A100 WeakPolarHBondContact O-CA 3.21Å; V74-A100 WeakPolarHBondContact O-CB 3.32Å; V74-D101 PolarHBondContact O-N 2.82Å
75V98.8Very high98Very high11 Ų1131.2 Ų31.27%0.06716%0.16CC..EExtended strand (participates in β ladder)trans-116.6120.1175-1760000109.9I52 A53 D54 Y73 F77 D101 V103 F122I52-V75 PolarHBondContact O-N 3.38Å; A53-V75 CarbonylContact C-O 3.48Å; A53-V75 WeakPolarHBondContact CA-O 3.2Å; D54-V75 PolarHBondContact N-O 3.17Å; Y73-V75 HydrophobicContact CD1-CG2 4Å; Y73-V75 HydrophobicContact CE1-CG2 3.46Å; Y73-V75 VanDerWaalsContact CE1-CG2 3.46Å; V75-F77 HydrophobicContact CB-CE2 3.91Å; V75-F77 HydrophobicContact CB-CZ 4.34Å; V75-F77 HydrophobicContact CG1-CD2 4.08Å; V75-F77 HydrophobicContact CG1-CE1 4.26Å; V75-F77 HydrophobicContact CG1-CE2 3.47Å; V75-F77 VanDerWaalsContact CG1-CE2 3.47Å; V75-F77 HydrophobicContact CG1-CZ 3.58Å; V75-D101 WeakPolarHBondContact CA-O 3.47Å; V75-V103 HydrophobicContact CG1-CG2 3.71Å; V75-F122 HydrophobicContact CB-CE1 3.73Å; V75-F122 HydrophobicContact CB-CZ 3.85Å; V75-F122 HydrophobicContact CG1-CZ 4.44Å; V75-F122 HydrophobicContact CG2-CE1 3.66Å; V75-F122 HydrophobicContact CG2-CZ 3.95Å
76G98.8Very high98Very high0 Ų032 Ų320%016%0.164CC..EExtended strand (participates in β ladder)trans-92.5126.9173.800000111.2D101 L102 V103G76-D101 PolarHBondContact N-O 3.44Å; G76-L102 WeakPolarHBondContact O-CA 3.28Å; G76-V103 PolarHBondContact O-N 2.94Å
77F98.8Very high97.9Very high4 Ų432 Ų322%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-110.4128.3174.5-62.1-96.1000109.7A53 D54 L55 G56 C57 V75 V103 V107 L118 F122A53-F77 HydrophobicContact CB-CD2 4.36Å; A53-F77 HydrophobicContact CB-CE2 3.96Å; D54-F77 PolarHBondContact O-N 3.33Å; L55-F77 HydrophobicContact CD2-CB 4.07Å; L55-F77 HydrophobicContact CD2-CD2 3.61Å; L55-F77 HydrophobicContact CD2-CE2 4.33Å; L55-F77 HydrophobicContact CD2-CG 4.04Å; G56-F77 VanDerWaalsContact CA-O 3.3Å; G56-F77 WeakPolarHBondContact CA-O 3.3Å; G56-F77 PolarHBondContact N-O 2.88Å; C57-F77 PolarHBondContact N-O 2.93Å; C57-F77 VanDerWaalsContact N-O 3.08Å; V75-F77 HydrophobicContact CB-CE2 3.91Å; V75-F77 HydrophobicContact CB-CZ 4.34Å; V75-F77 HydrophobicContact CG1-CD2 4.08Å; V75-F77 HydrophobicContact CG1-CE1 4.26Å; V75-F77 HydrophobicContact CG1-CE2 3.47Å; V75-F77 VanDerWaalsContact CG1-CE2 3.47Å; V75-F77 HydrophobicContact CG1-CZ 3.58Å; F77-V103 WeakPolarHBondContact CA-O 3.32Å; F77-V103 HydrophobicContact CD1-CB 3.73Å; F77-V103 HydrophobicContact CD1-CG1 3.9Å; F77-V103 HydrophobicContact CD1-CG2 4.47Å; F77-V103 HydrophobicContact CE1-CB 3.85Å; F77-V103 HydrophobicContact CE1-CG1 3.91Å; F77-V103 HydrophobicContact CE1-CG2 4.14Å; F77-V107 HydrophobicContact CB-CG1 3.52Å; F77-V107 HydrophobicContact CD1-CG1 4.49Å; F77-V107 HydrophobicContact CG-CG1 4.17Å; F77-L118 HydrophobicContact CE1-CD1 3.97Å; F77-L118 HydrophobicContact CZ-CD1 4.1Å; F77-F122 HydrophobicContact CE2-CE2 4.1Å; F77-F122 AromaticContact CE2-CZ 3.9Å; F77-F122 HydrophobicContact CE2-CZ 3.9Å; F77-F122 HydrophobicContact CZ-CE2 4.15Å; F77-F122 AromaticContact CZ-CZ 3.99Å; F77-F122 HydrophobicContact CZ-CZ 3.99Å
78D98.7Very high97.9Very high16 Ų1636.1 Ų36.19%0.08618%0.179CC..EExtended strand (participates in β ladder)trans-147.1151.1171.1-152.5-65.9000110.2G58 D80 L84 V103 Q104 Y105G58-D78 WeakPolarHBondContact CA-OD2 3.5Å; G58-D78 PolarHBondContact N-OD2 3.18Å; D78-D80 PolarHBondContact OD1-N 3.43Å; D78-L84 HydrophobicContact CB-CD1 4.42Å; D78-L84 HydrophobicContact CB-CD2 3.58Å; D78-L84 HydrophobicContact CB-CG 3.92Å; D78-V103 PolarHBondContact N-O 3.35Å; D78-Q104 CarbonylContact O-C 3.42Å; D78-Q104 VanDerWaalsContact O-CA 3.25Å; D78-Q104 WeakPolarHBondContact O-CA 3.34Å; D78-Y105 CarbonylContact C-O 3.57Å; D78-Y105 PolarHBondContact O-N 2.79Å
79I97.8Very high97.9Very high79 Ų7939.6 Ų39.641%0.40519%0.193SC..SBendtrans-81.8-26.2176.1-164.2172.2000111.3L23 Q104 D106L23-I79 HydrophobicContact CD1-CG2 4.23Å; L23-I79 HydrophobicContact CD2-CG2 4.16Å; I79-Q104 PolarHBondContact O-NE2 2.91Å; I79-D106 HydrophobicContact CD1-CB 3.86Å; I79-D106 HydrophobicContact CG1-CB 4.34Å
80D97.8Very high98Very high13 Ų1339.3 Ų39.37%0.0719%0.192CC..  trans-90.8108.6-174-172.812.7000112.7K20 L23 Q25 D78 E82 A83 L84K20-D80 WeakPolarHBondContact CD-OD2 3.35Å; K20-D80 WeakPolarHBondContact CE-OD2 3.4Å; K20-D80 IonicContact NZ-OD1 3.68Å; K20-D80 PolarHBondContact NZ-OD1 2.91Å; K20-D80 IonicContact NZ-OD2 3.8Å; K20-D80 PolarHBondContact NZ-OD2 3Å; L23-D80 HydrophobicContact CD1-CB 3.87Å; Q25-D80 PolarHBondContact NE2-OD2 3.24Å; D78-D80 PolarHBondContact OD1-N 3.43Å; D80-E82 VanDerWaalsContact C-N 3.26Å; D80-E82 PolarHBondContact O-N 3.24Å; D80-E82 PolarHBondContact OD1-N 3.46Å; D80-E82 VanDerWaalsContact OD1-N 3.08Å; D80-A83 HydrophobicContact CB-CB 3.93Å; D80-A83 WeakPolarHBondContact O-CB 3.05Å; D80-A83 PolarHBondContact O-N 3.01Å; D80-L84 PolarHBondContact O-N 3.43Å; D80-L84 VanDerWaalsContact O-N 3.11Å
81F97.6Very high98Very high123 Ų12338.8 Ų38.854%0.53918%0.181SC..Hα-helixtrans-55.2-38174.4-179-98.3000113.3A83 L84 E85F81-A83 VanDerWaalsContact C-N 3.29Å; F81-A83 PolarHBondContact O-N 3.24Å; F81-L84 PolarHBondContact O-N 3.24Å; F81-E85 PolarHBondContact O-N 2.91Å
82E97.6Very high97.9Very high81 Ų8143.6 Ų43.638%0.37920%0.203SC..Hα-helixtrans-65.6-34.5178.8-77.1175.6-105.200111.7R18 K20 D80 V86R18-E82 IonicContact CZ-OE2 2.9Å; R18-E82 IonicContact NH2-OE2 2.72Å; R18-E82 PolarHBondContact NH2-OE2 3.04Å; K20-E82 WeakPolarHBondContact CE-OE1 3.43Å; K20-E82 IonicContact NZ-OE1 3.8Å; K20-E82 PolarHBondContact NZ-OE1 2.74Å; D80-E82 VanDerWaalsContact C-N 3.26Å; D80-E82 PolarHBondContact O-N 3.24Å; D80-E82 PolarHBondContact OD1-N 3.46Å; D80-E82 VanDerWaalsContact OD1-N 3.08Å; E82-V86 WeakPolarHBondContact O-CG2 3.44Å; E82-V86 PolarHBondContact O-N 3.03Å
83A97.8Very high97.6Very high1 Ų144.3 Ų44.31%0.00821%0.207CC..Hα-helixtrans-67.3-46.1174.900000111.2F16 G58 D80 F81 E85 V86 C87F16-A83 HydrophobicContact CD1-CB 4.25Å; F16-A83 HydrophobicContact CE1-CB 3.66Å; G58-A83 CarbonylContact O-C 3.56Å; D80-A83 HydrophobicContact CB-CB 3.93Å; D80-A83 WeakPolarHBondContact O-CB 3.05Å; D80-A83 PolarHBondContact O-N 3.01Å; F81-A83 VanDerWaalsContact C-N 3.29Å; F81-A83 PolarHBondContact O-N 3.24Å; A83-E85 VanDerWaalsContact C-N 3.3Å; A83-E85 PolarHBondContact O-N 3.36Å; A83-V86 PolarHBondContact O-N 3.38Å; A83-C87 WeakPolarHBondContact O-CB 3.43Å; A83-C87 PolarHBondContact O-N 2.92Å
84L98.5Very high97.2Very high13 Ų1341.3 Ų41.37%0.06820%0.195CC..Hα-helixtrans-62.5-35.7178.2-65.7178.1000112.4D78 D80 F81 C87 R88 L102 Q104D78-L84 HydrophobicContact CB-CD1 4.42Å; D78-L84 HydrophobicContact CB-CD2 3.58Å; D78-L84 HydrophobicContact CB-CG 3.92Å; D80-L84 PolarHBondContact O-N 3.43Å; D80-L84 VanDerWaalsContact O-N 3.11Å; F81-L84 PolarHBondContact O-N 3.24Å; L84-C87 WeakPolarHBondContact O-CB 3.3Å; L84-C87 PolarHBondContact O-N 3.36Å; L84-R88 WeakPolarHBondContact O-CB 3.02Å; L84-R88 PolarHBondContact O-N 2.99Å; L84-L102 HydrophobicContact CD2-CB 4.25Å; L84-L102 HydrophobicContact CD2-CD1 4.46Å; L84-L102 HydrophobicContact CD2-CD2 4.11Å; L84-L102 WeakPolarHBondContact O-CD1 3.15Å; L84-Q104 HydrophobicContact CD1-CB 3.57Å; L84-Q104 HydrophobicContact CD1-CG 3.95Å
85E98.2Very high96.3Very high57 Ų5743.9 Ų43.927%0.26622%0.217SC..Hα-helixtrans-66.7-39.6176-178.952.4-150.200111.9F81 A83 R88 Q89F81-E85 PolarHBondContact O-N 2.91Å; A83-E85 VanDerWaalsContact C-N 3.3Å; A83-E85 PolarHBondContact O-N 3.36Å; E85-R88 WeakPolarHBondContact O-CB 3.39Å; E85-R88 PolarHBondContact O-N 3.46Å; E85-R88 IonicContact OE1-CZ 2.63Å; E85-R88 IonicContact OE1-NE 3.02Å; E85-R88 PolarHBondContact OE1-NE 3.03Å; E85-R88 IonicContact OE1-NH2 3.51Å; E85-R88 PolarHBondContact OE1-NH2 2.84Å; E85-R88 IonicContact OE2-CZ 3.24Å; E85-R88 IonicContact OE2-NE 3.76Å; E85-R88 PolarHBondContact OE2-NE 3.2Å; E85-R88 IonicContact OE2-NH2 3.37Å; E85-Q89 VanDerWaalsContact O-CG 3.3Å; E85-Q89 WeakPolarHBondContact O-CG 3.31Å; E85-Q89 PolarHBondContact O-N 2.94Å; E85-Q89 PolarHBondContact OE1-NE2 3.26Å
86V97.8Very high95.6Very high16 Ų1648 Ų4810%0.09725%0.246CC..Hα-helixtrans-66.6-40.7172.4178.50000110.9E14 P17 T59 E82 A83 R88 Q89 N90E14-V86 HydrophobicContact CB-CG1 4.34Å; P17-V86 HydrophobicContact CG-CG2 4.22Å; T59-V86 HydrophobicContact CG2-CB 4Å; T59-V86 HydrophobicContact CG2-CG1 3.61Å; E82-V86 WeakPolarHBondContact O-CG2 3.44Å; E82-V86 PolarHBondContact O-N 3.03Å; A83-V86 PolarHBondContact O-N 3.38Å; V86-R88 VanDerWaalsContact C-N 3.34Å; V86-R88 PolarHBondContact O-N 3.48Å; V86-Q89 PolarHBondContact O-N 3.28Å; V86-N90 PolarHBondContact O-N 3.08Å; V86-N90 PolarHBondContact O-ND2 2.94Å
87C97.9Very high95.2Very high0 Ų049.3 Ų49.30%025%0.252CS..Hα-helixtrans-58.2-46.9174.6-173.40000111.6G58 T59 G60 A83 L84 Q89 N90 F91 L102G58-C87 WeakPolarHBondContact O-CB 3.46Å; T59-C87 WeakPolarHBondContact O-CA 3.06Å; G60-C87 WeakPolarHBondContact CA-SG 3.26Å; A83-C87 WeakPolarHBondContact O-CB 3.43Å; A83-C87 PolarHBondContact O-N 2.92Å; L84-C87 WeakPolarHBondContact O-CB 3.3Å; L84-C87 PolarHBondContact O-N 3.36Å; C87-Q89 VanDerWaalsContact C-N 3.35Å; C87-Q89 PolarHBondContact O-N 2.97Å; C87-N90 WeakPolarHBondContact O-CB 3.17Å; C87-N90 PolarHBondContact O-N 2.8Å; C87-N90 VanDerWaalsContact O-N 3.14Å; C87-F91 WeakPolarHBondContact O-CD2 3.36Å; C87-F91 PolarHBondContact O-N 3.3Å; C87-L102 HydrophobicContact CB-CD1 3.93Å; C87-L102 HydrophobicContact CB-CD2 4.38Å; C87-L102 VanDerWaalsContact SG-CD2 3.59Å
88R97.3Very high94.9Very high94 Ų9457.5 Ų57.536%0.35528%0.282SS..Hα-helixtrans-56.5-47.6175.8-168-167.869.965.714.3111.3L84 E85 V86 N90 F91 E92 L102L84-R88 WeakPolarHBondContact O-CB 3.02Å; L84-R88 PolarHBondContact O-N 2.99Å; E85-R88 WeakPolarHBondContact O-CB 3.39Å; E85-R88 PolarHBondContact O-N 3.46Å; E85-R88 IonicContact OE1-CZ 2.63Å; E85-R88 IonicContact OE1-NE 3.02Å; E85-R88 PolarHBondContact OE1-NE 3.03Å; E85-R88 IonicContact OE1-NH2 3.51Å; E85-R88 PolarHBondContact OE1-NH2 2.84Å; E85-R88 IonicContact OE2-CZ 3.24Å; E85-R88 IonicContact OE2-NE 3.76Å; E85-R88 PolarHBondContact OE2-NE 3.2Å; E85-R88 IonicContact OE2-NH2 3.37Å; V86-R88 VanDerWaalsContact C-N 3.34Å; V86-R88 PolarHBondContact O-N 3.48Å; R88-N90 VanDerWaalsContact C-N 3.34Å; R88-N90 PolarHBondContact O-N 2.62Å; R88-F91 PolarHBondContact O-N 2.95Å; R88-E92 IonicContact CZ-OE1 2.76Å; R88-E92 IonicContact CZ-OE2 2.81Å; R88-E92 IonicContact NH1-OE1 2.83Å; R88-E92 PolarHBondContact NH1-OE1 3.42Å; R88-E92 IonicContact NH1-OE2 2.68Å; R88-E92 PolarHBondContact NH1-OE2 3.34Å; R88-E92 IonicContact NH2-OE2 3.31Å; R88-E92 PolarHBondContact NH2-OE2 3.1Å; R88-E92 WeakPolarHBondContact O-CG 3.41Å; R88-E92 PolarHBondContact O-N 3.26Å; R88-L102 HydrophobicContact CB-CD1 4.06Å
89Q96.9Very high94.7Very high85 Ų8558.8 Ų58.840%0.39729%0.289SS..Hα-helixtrans-62.4-39.2176.7-69.516914.300112.3E85 V86 C87 E92 N93E85-Q89 VanDerWaalsContact O-CG 3.3Å; E85-Q89 WeakPolarHBondContact O-CG 3.31Å; E85-Q89 PolarHBondContact O-N 2.94Å; E85-Q89 PolarHBondContact OE1-NE2 3.26Å; V86-Q89 PolarHBondContact O-N 3.28Å; C87-Q89 VanDerWaalsContact C-N 3.35Å; C87-Q89 PolarHBondContact O-N 2.97Å; Q89-E92 WeakPolarHBondContact O-CB 3.41Å; Q89-E92 PolarHBondContact O-N 3.16Å; Q89-N93 PolarHBondContact O-N 2.81Å; Q89-N93 PolarHBondContact O-ND2 2.85Å
90N97.2Very high94.8Very high1 Ų156.1 Ų56.11%0.00528%0.279CS..Hα-helixtrans-59.6-48.5172.5-76.5-36.5000110.8V13 E14 T59 L64 V86 C87 R88 E92 N93 F94V13-N90 WeakPolarHBondContact CG1-ND2 3.46Å; E14-N90 WeakPolarHBondContact CB-OD1 3.36Å; E14-N90 PolarHBondContact N-ND2 2.97Å; E14-N90 PolarHBondContact N-OD1 2.95Å; E14-N90 PolarHBondContact O-ND2 3.24Å; E14-N90 VanDerWaalsContact O-ND2 3.07Å; T59-N90 PolarHBondContact O-ND2 3.23Å; L64-N90 HydrophobicContact CD1-CB 3.8Å; V86-N90 PolarHBondContact O-N 3.08Å; V86-N90 PolarHBondContact O-ND2 2.94Å; C87-N90 WeakPolarHBondContact O-CB 3.17Å; C87-N90 PolarHBondContact O-N 2.8Å; C87-N90 VanDerWaalsContact O-N 3.14Å; R88-N90 VanDerWaalsContact C-N 3.34Å; R88-N90 PolarHBondContact O-N 2.62Å; N90-E92 VanDerWaalsContact C-N 3.28Å; N90-E92 PolarHBondContact O-N 2.87Å; N90-N93 WeakPolarHBondContact O-CB 3.19Å; N90-N93 PolarHBondContact O-N 2.76Å; N90-N93 VanDerWaalsContact O-N 3.07Å; N90-F94 WeakPolarHBondContact O-CD2 2.91Å; N90-F94 PolarHBondContact O-N 3.02Å
91F97Very high94.8Very high21 Ų2159.4 Ų59.49%0.09230%0.297CS..Hα-helixtrans-61.4-32.5175.8-88.4-84000113.9M63 L64 C87 R88 F94 F97 A100M63-F91 HydrophobicContact CB-CZ 4.48Å; M63-F91 HydrophobicContact CE-CE2 3.52Å; M63-F91 HydrophobicContact CE-CZ 3.62Å; M63-F91 HydrophobicContact CG-CE2 3.79Å; M63-F91 HydrophobicContact CG-CZ 3.94Å; M63-F91 HydrophobicContact SD-CE2 3.73Å; M63-F91 HydrophobicContact SD-CZ 4.24Å; L64-F91 HydrophobicContact CB-CZ 4.48Å; L64-F91 HydrophobicContact CD1-CE2 4.39Å; L64-F91 HydrophobicContact CD2-CD1 3.59Å; L64-F91 HydrophobicContact CD2-CD2 3.95Å; L64-F91 HydrophobicContact CD2-CE1 3.45Å; L64-F91 VanDerWaalsContact CD2-CE1 3.45Å; L64-F91 HydrophobicContact CD2-CE2 3.81Å; L64-F91 HydrophobicContact CD2-CG 3.84Å; L64-F91 HydrophobicContact CD2-CZ 3.55Å; L64-F91 HydrophobicContact CG-CD1 4.49Å; L64-F91 HydrophobicContact CG-CD2 4.1Å; L64-F91 HydrophobicContact CG-CE1 4.09Å; L64-F91 HydrophobicContact CG-CE2 3.65Å; L64-F91 HydrophobicContact CG-CG 4.5Å; L64-F91 HydrophobicContact CG-CZ 3.63Å; C87-F91 WeakPolarHBondContact O-CD2 3.36Å; C87-F91 PolarHBondContact O-N 3.3Å; R88-F91 PolarHBondContact O-N 2.95Å; F91-F94 CarbonylContact O-C 3.28Å; F91-F94 VanDerWaalsContact O-C 3.28Å; F91-F94 PolarHBondContact O-N 3.48Å; F91-F97 HydrophobicContact CD1-CB 4.15Å; F91-F97 HydrophobicContact CE1-CB 4.12Å; F91-A100 HydrophobicContact CD1-CB 4.3Å; F91-A100 HydrophobicContact CE1-CB 3.55Å; F91-A100 HydrophobicContact CZ-CB 3.7Å
92E94.8Very high94.8Very high103 Ų10356.1 Ų56.148%0.48129%0.285SS..Hα-helixtrans-64.5-41.4172.3-71.3-178.8142.400111.9R88 Q89 N90 F94 A95R88-E92 IonicContact CZ-OE1 2.76Å; R88-E92 IonicContact CZ-OE2 2.81Å; R88-E92 IonicContact NH1-OE1 2.83Å; R88-E92 PolarHBondContact NH1-OE1 3.42Å; R88-E92 IonicContact NH1-OE2 2.68Å; R88-E92 PolarHBondContact NH1-OE2 3.34Å; R88-E92 IonicContact NH2-OE2 3.31Å; R88-E92 PolarHBondContact NH2-OE2 3.1Å; R88-E92 WeakPolarHBondContact O-CG 3.41Å; R88-E92 PolarHBondContact O-N 3.26Å; Q89-E92 WeakPolarHBondContact O-CB 3.41Å; Q89-E92 PolarHBondContact O-N 3.16Å; N90-E92 VanDerWaalsContact C-N 3.28Å; N90-E92 PolarHBondContact O-N 2.87Å; E92-F94 VanDerWaalsContact C-N 3.34Å; E92-A95 PolarHBondContact O-N 3.29Å
93N93.5Very high94.9Very high122 Ų12254.7 Ų54.765%0.65228%0.281SS*.Hα-helixtrans-67-33.8175.9-67-27.2000112.2Q89 N90 A95Q89-N93 PolarHBondContact O-N 2.81Å; Q89-N93 PolarHBondContact O-ND2 2.85Å; N90-N93 WeakPolarHBondContact O-CB 3.19Å; N90-N93 PolarHBondContact O-N 2.76Å; N90-N93 VanDerWaalsContact O-N 3.07Å; N93-A95 VanDerWaalsContact C-N 3.34Å; N93-A95 PolarHBondContact O-N 3.47Å
94F90.4Very high94.9Very high27 Ų2760 Ų6012%0.11831%0.306CS..THydrogen-bonded Turntrans-9357.7172.1-62.5-78.5000111.9L9 N12 V13 L64 N90 F91 E92 S96 F97L9-F94 HydrophobicContact CD2-CD1 3.93Å; L9-F94 HydrophobicContact CD2-CE1 3.57Å; L9-F94 HydrophobicContact CD2-CZ 4.2Å; L9-F94 HydrophobicContact CG-CD1 4.2Å; L9-F94 HydrophobicContact CG-CE1 3.77Å; L9-F94 WeakPolarHBondContact O-CZ 3.45Å; N12-F94 HydrophobicContact CB-CZ 3.96Å; V13-F94 HydrophobicContact CG2-CE2 3.75Å; V13-F94 HydrophobicContact CG2-CZ 3.99Å; L64-F94 HydrophobicContact CD1-CD2 3.96Å; L64-F94 HydrophobicContact CD1-CE2 4.1Å; L64-F94 HydrophobicContact CD2-CB 4.12Å; L64-F94 HydrophobicContact CD2-CD2 3.84Å; L64-F94 HydrophobicContact CD2-CG 4.21Å; N90-F94 WeakPolarHBondContact O-CD2 2.91Å; N90-F94 PolarHBondContact O-N 3.02Å; F91-F94 CarbonylContact O-C 3.28Å; F91-F94 VanDerWaalsContact O-C 3.28Å; F91-F94 PolarHBondContact O-N 3.48Å; E92-F94 VanDerWaalsContact C-N 3.34Å; F94-S96 PolarHBondContact O-N 3.09Å; F94-F97 HydrophobicContact CB-CD2 3.7Å; F94-F97 HydrophobicContact CB-CE2 4.05Å; F94-F97 HydrophobicContact CD1-CE2 4.47Å; F94-F97 HydrophobicContact CG-CD2 4.5Å; F94-F97 HydrophobicContact CG-CE2 4.49Å; F94-F97 PolarHBondContact O-N 2.83Å
95A78.3Confident94.8Very high54 Ų5463.2 Ų63.245%0.44632%0.318SS..THydrogen-bonded Turntrans-53.7-14.9-169.500000116.7E92 N93 F97 R98E92-A95 PolarHBondContact O-N 3.29Å; N93-A95 VanDerWaalsContact C-N 3.34Å; N93-A95 PolarHBondContact O-N 3.47Å; A95-F97 VanDerWaalsContact C-N 3.33Å; A95-R98 PolarHBondContact O-NE 2.97Å; A95-R98 PolarHBondContact O-NH1 3.45Å; A95-R98 PolarHBondContact O-NH2 2.92Å
96S85.6Confident94.8Very high97 Ų9762.8 Ų62.868%0.67832%0.317SS*.THydrogen-bonded Turntrans-71.8-21.917552.10000114.2F94F94-S96 PolarHBondContact O-N 3.09Å
97F90.8Very high94.7Very high28 Ų2862.2 Ų62.212%0.12331%0.314CS..  trans-95.9115.9-178.9-52.9-51.5000110L9 L64 C67 A68 F91 F94 A95L9-F97 HydrophobicContact CD1-CE2 4.46Å; L9-F97 HydrophobicContact CD1-CZ 4.34Å; L9-F97 HydrophobicContact CD2-CE2 4.41Å; L64-F97 HydrophobicContact CD2-CD2 4.07Å; C67-F97 HydrophobicContact CB-CB 4.07Å; C67-F97 HydrophobicContact CB-CD1 3.83Å; C67-F97 HydrophobicContact CB-CD2 4.37Å; C67-F97 HydrophobicContact CB-CE1 4.41Å; C67-F97 HydrophobicContact CB-CG 3.82Å; A68-F97 HydrophobicContact CB-CE1 4.21Å; A68-F97 HydrophobicContact CB-CE2 4.14Å; A68-F97 HydrophobicContact CB-CZ 3.57Å; F91-F97 HydrophobicContact CD1-CB 4.15Å; F91-F97 HydrophobicContact CE1-CB 4.12Å; F94-F97 HydrophobicContact CB-CD2 3.7Å; F94-F97 HydrophobicContact CB-CE2 4.05Å; F94-F97 HydrophobicContact CD1-CE2 4.47Å; F94-F97 HydrophobicContact CG-CD2 4.5Å; F94-F97 HydrophobicContact CG-CE2 4.49Å; F94-F97 PolarHBondContact O-N 2.83Å; A95-F97 VanDerWaalsContact C-N 3.33Å
98R90.8Very high94.6Very high176 Ų17665 Ų6566%0.66433%0.328SS*.  trans-128.57.9-176.3-63.6-65.7-178.4-120.27113A95A95-R98 PolarHBondContact O-NE 2.97Å; A95-R98 PolarHBondContact O-NH1 3.45Å; A95-R98 PolarHBondContact O-NH2 2.92Å
99N96Very high94.5Very high43 Ų4366.2 Ų66.223%0.2334%0.338CS..SBendtrans-111.539.8-174.964.1-42.9000111.1A71 D72 Y73 V74A71-N99 PolarHBondContact O-ND2 2.84Å; D72-N99 WeakPolarHBondContact O-CB 3.38Å; D72-N99 PolarHBondContact O-ND2 2.97Å; Y73-N99 WeakPolarHBondContact CA-O 3.26Å; Y73-N99 HydrophobicContact CD2-CB 4.49Å; Y73-N99 WeakPolarHBondContact CD2-O 3.19Å; V74-N99 PolarHBondContact N-O 3.1Å
100A98.1Very high94.5Very high23 Ų2362.2 Ų62.219%0.1932%0.319CS..EExtended strand (participates in β ladder)trans-139.9144.4177.400000111.9M63 V74 F91M63-A100 HydrophobicContact CE-CB 3.96Å; V74-A100 HydrophobicContact CB-CB 4.31Å; V74-A100 CarbonylContact O-C 3.59Å; V74-A100 WeakPolarHBondContact O-CA 3.21Å; V74-A100 WeakPolarHBondContact O-CB 3.32Å; F91-A100 HydrophobicContact CD1-CB 4.3Å; F91-A100 HydrophobicContact CE1-CB 3.55Å; F91-A100 HydrophobicContact CZ-CB 3.7Å
101D98.4Very high94.4Very high83 Ų8362.3 Ų62.344%0.44432%0.32SS..EExtended strand (participates in β ladder)trans-128.3154.9175.1-84.2-60.4000111.1Y73 V74 V75 G76Y73-D101 PolarHBondContact OH-OD2 2.84Å; V74-D101 PolarHBondContact O-N 2.82Å; V75-D101 WeakPolarHBondContact CA-O 3.47Å; G76-D101 PolarHBondContact N-O 3.44Å
102L98.6Very high94.2Very high54 Ų5465.8 Ų65.828%0.28334%0.34SS..EExtended strand (participates in β ladder)trans-116.9133.5-179.7-64.8178.7000110.3M63 G76 L84 C87 R88M63-L102 HydrophobicContact CE-CD2 3.61Å; M63-L102 HydrophobicContact SD-CD2 3.6Å; G76-L102 WeakPolarHBondContact O-CA 3.28Å; L84-L102 HydrophobicContact CD2-CB 4.25Å; L84-L102 HydrophobicContact CD2-CD1 4.46Å; L84-L102 HydrophobicContact CD2-CD2 4.11Å; L84-L102 WeakPolarHBondContact O-CD1 3.15Å; C87-L102 HydrophobicContact CB-CD1 3.93Å; C87-L102 HydrophobicContact CB-CD2 4.38Å; C87-L102 VanDerWaalsContact SG-CD2 3.59Å; R88-L102 HydrophobicContact CB-CD1 4.06Å
103V98.5Very high94Very high51 Ų5162.1 Ų62.131%0.30933%0.327SS..EExtended strand (participates in β ladder)trans-126.3115.8-178.5-177.20000108.9V75 G76 F77 D78 Y105V75-V103 HydrophobicContact CG1-CG2 3.71Å; G76-V103 PolarHBondContact O-N 2.94Å; F77-V103 WeakPolarHBondContact CA-O 3.32Å; F77-V103 HydrophobicContact CD1-CB 3.73Å; F77-V103 HydrophobicContact CD1-CG1 3.9Å; F77-V103 HydrophobicContact CD1-CG2 4.47Å; F77-V103 HydrophobicContact CE1-CB 3.85Å; F77-V103 HydrophobicContact CE1-CG1 3.91Å; F77-V103 HydrophobicContact CE1-CG2 4.14Å; D78-V103 PolarHBondContact N-O 3.35Å; V103-Y105 PolarHBondContact O-N 2.93Å
104Q98.5Very high93.8Very high113 Ų11357.8 Ų57.853%0.52831%0.305SS..EExtended strand (participates in β ladder)trans-75.6107.1170.3-167-176.26.600109.7D78 I79 L84D78-Q104 CarbonylContact O-C 3.42Å; D78-Q104 VanDerWaalsContact O-CA 3.25Å; D78-Q104 WeakPolarHBondContact O-CA 3.34Å; I79-Q104 PolarHBondContact O-NE2 2.91Å; L84-Q104 HydrophobicContact CD1-CB 3.57Å; L84-Q104 HydrophobicContact CD1-CG 3.95Å
105Y97.3Very high93.7Very high79 Ų7966.5 Ų66.531%0.3134%0.338SS..  trans-158.2140.2-174.1-164.6-96.6000112.4D78 V103 V107 H109 L110D78-Y105 CarbonylContact C-O 3.57Å; D78-Y105 PolarHBondContact O-N 2.79Å; V103-Y105 PolarHBondContact O-N 2.93Å; Y105-V107 PolarHBondContact O-N 3.07Å; Y105-H109 HydrophobicContact CE1-CB 4.19Å; Y105-L110 HydrophobicContact CD1-CD1 4.38Å; Y105-L110 HydrophobicContact CE1-CD1 4.12Å; Y105-L110 HydrophobicContact CE1-CD2 4.41Å; Y105-L110 HydrophobicContact CE1-CG 3.91Å
106D96.7Very high94.5Very high48 Ų4866.4 Ų66.426%0.25733%0.329SS..  trans-8098.3168.9-173.8-6.2000109.6I79 L108 H109I79-D106 HydrophobicContact CD1-CB 3.86Å; I79-D106 HydrophobicContact CG1-CB 4.34Å; D106-L108 PolarHBondContact O-N 3.08Å; D106-L108 VanDerWaalsContact O-N 3.1Å; D106-L108 WeakPolarHBondContact OD1-CB 3.32Å; D106-L108 WeakPolarHBondContact OD1-CG 3.25Å; D106-L108 PolarHBondContact OD1-N 3.27Å; D106-H109 PolarHBondContact O-CD2 3.17Å; D106-H109 PolarHBondContact O-N 3Å; D106-H109 VanDerWaalsContact O-N 3.16Å
107V97.3Very high94.9Very high4 Ų473.4 Ų73.42%0.02434%0.341CS..G310 helixtrans-63.5-14.7-178.3-59.50000113.2L55 F77 Y105 H109 L110 F143 A146L55-V107 HydrophobicContact CD2-CG1 4.01Å; F77-V107 HydrophobicContact CB-CG1 3.52Å; F77-V107 HydrophobicContact CD1-CG1 4.49Å; F77-V107 HydrophobicContact CG-CG1 4.17Å; Y105-V107 PolarHBondContact O-N 3.07Å; V107-H109 PolarHBondContact O-N 2.84Å; V107-L110 HydrophobicContact CB-CD1 4.48Å; V107-L110 WeakPolarHBondContact O-CB 3.28Å; V107-L110 PolarHBondContact O-N 3.23Å; V107-F143 HydrophobicContact CG2-CD1 3.95Å; V107-F143 HydrophobicContact CG2-CD2 4.17Å; V107-F143 HydrophobicContact CG2-CE1 3.57Å; V107-F143 HydrophobicContact CG2-CE2 3.82Å; V107-F143 HydrophobicContact CG2-CG 4.25Å; V107-F143 HydrophobicContact CG2-CZ 3.5Å; V107-A146 VanDerWaalsContact O-CB 3.32Å; V107-A146 WeakPolarHBondContact O-CB 3.13Å
108L95.9Very high95.1Very high59 Ų5974.8 Ų74.831%0.30935%0.349SS..G310 helixtrans-62.9-27.1175.3-57.3-177.9000111.9D106 L110 A111 T139 E142 F143D106-L108 PolarHBondContact O-N 3.08Å; D106-L108 VanDerWaalsContact O-N 3.1Å; D106-L108 WeakPolarHBondContact OD1-CB 3.32Å; D106-L108 WeakPolarHBondContact OD1-CG 3.25Å; D106-L108 PolarHBondContact OD1-N 3.27Å; L108-L110 PolarHBondContact O-N 2.87Å; L108-A111 VanDerWaalsContact O-CB 3.3Å; L108-A111 WeakPolarHBondContact O-CB 3.36Å; L108-A111 PolarHBondContact O-N 3.33Å; L108-A111 VanDerWaalsContact O-N 3.17Å; L108-T139 HydrophobicContact CD1-CG2 4.3Å; L108-T139 HydrophobicContact CD2-CG2 3.98Å; L108-E142 HydrophobicContact CD2-CB 3.59Å; L108-F143 HydrophobicContact CD2-CD2 3.58Å; L108-F143 HydrophobicContact CD2-CE2 3.75Å; L108-F143 HydrophobicContact CG-CE2 4.42Å
109H95Very high95.3Very high120 Ų12067.6 Ų67.656%0.55633%0.326SS*.G310 helixtrans-62.4-27.8172.3-66.3-47.8000112.8Y105 D106 V107 A111 A113Y105-H109 HydrophobicContact CE1-CB 4.19Å; D106-H109 PolarHBondContact O-CD2 3.17Å; D106-H109 PolarHBondContact O-N 3Å; D106-H109 VanDerWaalsContact O-N 3.16Å; V107-H109 PolarHBondContact O-N 2.84Å; H109-A111 VanDerWaalsContact C-N 3.27Å; H109-A111 PolarHBondContact O-N 3.14Å; H109-A113 VanDerWaalsContact O-CB 3.28Å; H109-A113 WeakPolarHBondContact O-CB 3.34Å
110L95.6Very high95.3Very high1 Ų167.8 Ų67.81%0.00532%0.324CS..G310 helixtrans-77.3-13.1179.1-63.2166.1000112.7Y105 V107 L108 D112 D116 A146 N149 L150Y105-L110 HydrophobicContact CD1-CD1 4.38Å; Y105-L110 HydrophobicContact CE1-CD1 4.12Å; Y105-L110 HydrophobicContact CE1-CD2 4.41Å; Y105-L110 HydrophobicContact CE1-CG 3.91Å; V107-L110 HydrophobicContact CB-CD1 4.48Å; V107-L110 WeakPolarHBondContact O-CB 3.28Å; V107-L110 PolarHBondContact O-N 3.23Å; L108-L110 PolarHBondContact O-N 2.87Å; L110-D112 PolarHBondContact O-N 3.24Å; L110-D116 HydrophobicContact CD2-CB 3.97Å; L110-A146 HydrophobicContact CB-CB 3.89Å; L110-N149 PolarHBondContact O-ND2 2.77Å; L110-L150 HydrophobicContact CD1-CD1 4Å; L110-L150 HydrophobicContact CD1-CD2 4.11Å; L110-L150 HydrophobicContact CD1-CG 4.3Å
111A95.2Very high95.2Very high3 Ų368.6 Ų68.63%0.02533%0.331CS..G310 helixtrans-69.9-20.8178.700000113.5L108 H109 E142 K145 F217L108-A111 VanDerWaalsContact O-CB 3.3Å; L108-A111 WeakPolarHBondContact O-CB 3.36Å; L108-A111 PolarHBondContact O-N 3.33Å; L108-A111 VanDerWaalsContact O-N 3.17Å; H109-A111 VanDerWaalsContact C-N 3.27Å; H109-A111 PolarHBondContact O-N 3.14Å; A111-E142 HydrophobicContact CB-CB 4.24Å; A111-E142 WeakPolarHBondContact CB-O 3.44Å; A111-E142 VanDerWaalsContact CB-OE2 3.3Å; A111-E142 WeakPolarHBondContact CB-OE2 3.22Å; A111-K145 HydrophobicContact CB-CB 3.83Å; A111-K145 HydrophobicContact CB-CD 4.27Å; A111-F217 WeakPolarHBondContact O-CB 3.43Å
112D92Very high95.3Very high93 Ų9365.2 Ų65.250%0.49731%0.313SS..G310 helixtrans-131.427.8-178.2-167.622.4000111.7L110 P114 G218 H219L110-D112 PolarHBondContact O-N 3.24Å; D112-P114 VanDerWaalsContact C-CD 3.49Å; D112-P114 WeakPolarHBondContact O-CD 3.38Å; D112-G218 WeakPolarHBondContact OD1-CA 3.48Å; D112-H219 IonicContact OD1-CD2 2.72Å; D112-H219 PolarHBondContact OD1-N 3.31Å; D112-H219 VanDerWaalsContact OD1-N 3.13Å
113A92Very high95.3Very high26 Ų2664 Ų6422%0.21531%0.306CS..  trans-123.667.8-177.500000112.4H109 R115 D116 C119H109-A113 VanDerWaalsContact O-CB 3.28Å; H109-A113 WeakPolarHBondContact O-CB 3.34Å; A113-R115 PolarHBondContact O-N 3.34Å; A113-D116 HydrophobicContact CB-CB 4.02Å; A113-D116 WeakPolarHBondContact O-CB 3.26Å; A113-D116 PolarHBondContact O-N 3.11Å; A113-C119 PolarHBondContact O-SG 2.95Å
114P87.9Confident95.3Very high31 Ų3161.5 Ų61.520%0.20129%0.291CS..THydrogen-bonded Turntrans-68.8-9.4-174.629.9-36.3000113.5D112 L216 F217D112-P114 VanDerWaalsContact C-CD 3.49Å; D112-P114 WeakPolarHBondContact O-CD 3.38Å; P114-L216 HydrophobicContact CB-CB 3.87Å; P114-L216 HydrophobicContact CB-CD1 4.38Å; P114-F217 WeakPolarHBondContact CD-O 3.44Å
115R90.2Very high95.3Very high211 Ų21156.1 Ų56.180%0.79627%0.266SS*.THydrogen-bonded Turntrans-106.37.1176.9-62.1-173-66-80.6-1.3112.8A113A113-R115 PolarHBondContact O-N 3.34Å
116D93.7Very high95.4Very high51 Ų5152.6 Ų52.627%0.27325%0.253SS..  trans-64144.8176-163.9-78000110.7L110 A113 L118 C119L110-D116 HydrophobicContact CD2-CB 3.97Å; A113-D116 HydrophobicContact CB-CB 4.02Å; A113-D116 WeakPolarHBondContact O-CB 3.26Å; A113-D116 PolarHBondContact O-N 3.11Å; D116-L118 PolarHBondContact O-N 2.99Å; D116-L118 WeakPolarHBondContact OD1-CB 3.37Å; D116-L118 WeakPolarHBondContact OD1-CG 3.04Å; D116-L118 PolarHBondContact OD1-N 3.21Å; D116-C119 VanDerWaalsContact O-CB 3.31Å; D116-C119 WeakPolarHBondContact O-CB 3.29Å; D116-C119 PolarHBondContact O-N 2.81Å; D116-C119 VanDerWaalsContact O-N 3.08Å; D116-C119 PolarHBondContact O-SG 3.29Å
117R93.7Very high95.5Very high245 Ų24550.4 Ų50.493%0.92524%0.241SC*.THydrogen-bonded Turntrans-66.3-19.9-179.3-65.5-178.4178.3-179-0.4113C119R117-C119 VanDerWaalsContact C-N 3.33Å
118L95.4Very high95.4Very high57 Ų5751.1 Ų51.130%0.29825%0.245SC..THydrogen-bonded Turntrans-82.7-10.4176.6-60.5177.5000112.7F77 D116 K120 A121 L150F77-L118 HydrophobicContact CE1-CD1 3.97Å; F77-L118 HydrophobicContact CZ-CD1 4.1Å; D116-L118 PolarHBondContact O-N 2.99Å; D116-L118 WeakPolarHBondContact OD1-CB 3.37Å; D116-L118 WeakPolarHBondContact OD1-CG 3.04Å; D116-L118 PolarHBondContact OD1-N 3.21Å; L118-K120 PolarHBondContact O-N 2.76Å; L118-A121 WeakPolarHBondContact O-CB 3.23Å; L118-A121 PolarHBondContact O-N 3.39Å; L118-L150 HydrophobicContact CB-CD2 3.41Å; L118-L150 VanDerWaalsContact CB-CD2 3.41Å; L118-L150 WeakPolarHBondContact O-CD2 3.33Å
119C95.2Very high95.5Very high25 Ų2548.4 Ų48.417%0.16923%0.231CC..THydrogen-bonded Turntrans-56.8125.9176.9-73.10000110.5A113 D116 R117 A121 N149 L216A113-C119 PolarHBondContact O-SG 2.95Å; D116-C119 VanDerWaalsContact O-CB 3.31Å; D116-C119 WeakPolarHBondContact O-CB 3.29Å; D116-C119 PolarHBondContact O-N 2.81Å; D116-C119 VanDerWaalsContact O-N 3.08Å; D116-C119 PolarHBondContact O-SG 3.29Å; R117-C119 VanDerWaalsContact C-N 3.33Å; C119-A121 PolarHBondContact O-N 3.19Å; C119-N149 CarbonylContact C-O 3.45Å; C119-N149 VanDerWaalsContact CA-O 3.3Å; C119-N149 WeakPolarHBondContact CA-O 3.46Å; C119-L216 HydrophobicContact CB-CD2 4.06Å
120K96.1Very high95.5Very high46 Ų4643.5 Ų43.520%0.221%0.21CC..THydrogen-bonded Turntrans5725.6-177-50.1-56.1-176.8-172.40114.2L118 I148 N149 L150 A151 K152 R215 L216L118-K120 PolarHBondContact O-N 2.76Å; K120-I148 PolarHBondContact NZ-O 3.48Å; K120-N149 PolarHBondContact N-O 2.91Å; K120-L150 CarbonylContact C-O 3.43Å; K120-L150 WeakPolarHBondContact CA-O 3.49Å; K120-L150 PolarHBondContact N-O 2.88Å; K120-A151 WeakPolarHBondContact CD-O 3.41Å; K120-A151 PolarHBondContact NZ-O 2.94Å; K120-K152 HydrophobicContact CB-CG 4.09Å; K120-K152 WeakPolarHBondContact O-CE 3.27Å; K120-K152 WeakPolarHBondContact O-CG 3.33Å; K120-R215 WeakPolarHBondContact CE-O 3.3Å; K120-R215 PolarHBondContact NZ-O 3.21Å; K120-L216 HydrophobicContact CD-CD2 4.49Å; K120-L216 HydrophobicContact CG-CD2 4.47Å
121A97.1Very high95.3Very high40 Ų4043.9 Ų43.933%0.33121%0.211SC..  trans-76-25.6177.500000113.1L118 C119 L150L118-A121 WeakPolarHBondContact O-CB 3.23Å; L118-A121 PolarHBondContact O-N 3.39Å; C119-A121 PolarHBondContact O-N 3.19Å; A121-L150 PolarHBondContact N-O 3.03Å
122F98.6Very high95Very high13 Ų1344.3 Ų44.36%0.05722%0.215CC..EExtended strand (participates in β ladder)trans-109.6138.9-174.6-59.2-84.9000110.9I52 A53 V75 F77 V124 L150 A151 K152I52-F122 VanDerWaalsContact C-CD1 3.48Å; A53-F122 HydrophobicContact CB-CB 4.19Å; A53-F122 HydrophobicContact CB-CD1 3.69Å; A53-F122 HydrophobicContact CB-CD2 3.66Å; A53-F122 HydrophobicContact CB-CE1 3.9Å; A53-F122 HydrophobicContact CB-CE2 3.88Å; A53-F122 HydrophobicContact CB-CG 3.55Å; A53-F122 HydrophobicContact CB-CZ 3.99Å; V75-F122 HydrophobicContact CB-CE1 3.73Å; V75-F122 HydrophobicContact CB-CZ 3.85Å; V75-F122 HydrophobicContact CG1-CZ 4.44Å; V75-F122 HydrophobicContact CG2-CE1 3.66Å; V75-F122 HydrophobicContact CG2-CZ 3.95Å; F77-F122 HydrophobicContact CE2-CE2 4.1Å; F77-F122 AromaticContact CE2-CZ 3.9Å; F77-F122 HydrophobicContact CE2-CZ 3.9Å; F77-F122 HydrophobicContact CZ-CE2 4.15Å; F77-F122 AromaticContact CZ-CZ 3.99Å; F77-F122 HydrophobicContact CZ-CZ 3.99Å; F122-V124 VanDerWaalsContact C-N 3.3Å; F122-L150 HydrophobicContact CD2-CB 4.13Å; F122-L150 PolarHBondContact N-O 2.75Å; F122-L150 VanDerWaalsContact N-O 3.17Å; F122-A151 CarbonylContact O-C 3.59Å; F122-A151 WeakPolarHBondContact O-CA 3.43Å; F122-K152 WeakPolarHBondContact O-CG 3.42Å; F122-K152 PolarHBondContact O-N 3.04Å
123D98.6Very high94.6Very high27 Ų2741.4 Ų41.414%0.14420%0.201CC..EExtended strand (participates in β ladder)trans-64.7-42.7174.9-59.6-39.4000110.1K50 T51 K152 Q153K50-D123 HydrophobicContact CB-CB 4.15Å; K50-D123 HydrophobicContact CD-CB 4.35Å; T51-D123 PolarHBondContact N-OD2 3.34Å; T51-D123 PolarHBondContact O-N 3.39Å; T51-D123 PolarHBondContact OG1-N 2.74Å; T51-D123 VanDerWaalsContact OG1-N 3.11Å; T51-D123 PolarHBondContact OG1-OD2 2.95Å; D123-K152 WeakPolarHBondContact OD1-CD 3.47Å; D123-K152 IonicContact OD1-NZ 3.9Å; D123-K152 PolarHBondContact OD1-NZ 3.26Å; D123-Q153 WeakPolarHBondContact O-CB 3.36Å; D123-Q153 PolarHBondContact O-N 3.13Å
124V98.8Very high94.1Very high0 Ų048.2 Ų48.20%023%0.226CC..EExtended strand (participates in β ladder)trans-135.7143.4-176.2-179.60000110.6E46 T51 I52 A53 F122 V126 S154 F156E46-V124 HydrophobicContact CB-CG2 3.88Å; E46-V124 HydrophobicContact CG-CG2 4Å; E46-V124 WeakPolarHBondContact O-CG2 3.13Å; T51-V124 PolarHBondContact O-N 3.31Å; I52-V124 VanDerWaalsContact CA-O 3.29Å; I52-V124 WeakPolarHBondContact CA-O 3.21Å; I52-V124 HydrophobicContact CG1-CB 4.41Å; A53-V124 PolarHBondContact N-O 3.06Å; F122-V124 VanDerWaalsContact C-N 3.3Å; V124-V126 HydrophobicContact CG1-CG1 4.47Å; V124-S154 WeakPolarHBondContact CA-O 3.47Å; V124-F156 HydrophobicContact CG1-CD2 3.63Å; V124-F156 HydrophobicContact CG1-CE2 3.78Å
125V98.9Very high93.8Very high0 Ų055.4 Ų55.40%025%0.254CS..EExtended strand (participates in β ladder)trans-112.7135.5168.1172.90000108.9A53 L55 L150 A151 S154 V155 F156A53-V125 HydrophobicContact CB-CG2 4.1Å; A53-V125 CarbonylContact O-C 3.55Å; A53-V125 WeakPolarHBondContact O-CA 3.26Å; L55-V125 HydrophobicContact CD1-CG1 4.01Å; L55-V125 HydrophobicContact CG-CG1 3.86Å; V125-L150 HydrophobicContact CG2-CB 3.85Å; V125-A151 HydrophobicContact CB-CB 4.27Å; V125-A151 HydrophobicContact CG2-CB 3.76Å; V125-S154 PolarHBondContact N-O 2.91Å; V125-V155 HydrophobicContact CB-CG1 4.25Å; V125-V155 HydrophobicContact CB-CG2 4.23Å; V125-V155 HydrophobicContact CG1-CG1 4.2Å; V125-V155 CarbonylContact O-C 3.52Å; V125-V155 WeakPolarHBondContact O-CA 3.48Å; V125-F156 PolarHBondContact O-N 2.86Å
126V98.9Very high93.6Very high5 Ų547.3 Ų47.33%0.0323%0.227CC..EExtended strand (participates in β ladder)trans-115.3149.6168.2-59.20000109.1I52 A53 D54 L55 L62 V124 F156I52-V126 HydrophobicContact CG2-CG1 4.25Å; I52-V126 HydrophobicContact CG2-CG2 3.95Å; A53-V126 PolarHBondContact O-N 3.46Å; D54-V126 WeakPolarHBondContact CA-O 3.16Å; D54-V126 HydrophobicContact CB-CG2 3.99Å; L55-V126 PolarHBondContact N-O 3.02Å; L55-V126 VanDerWaalsContact N-O 3.1Å; L62-V126 HydrophobicContact CB-CG2 4.16Å; L62-V126 HydrophobicContact CD1-CG2 4.48Å; V124-V126 HydrophobicContact CG1-CG1 4.47Å; V126-F156 CarbonylContact C-O 3.59Å; V126-F156 VanDerWaalsContact CA-O 3.3Å; V126-F156 WeakPolarHBondContact CA-O 3.36Å; V126-F156 HydrophobicContact CG1-CB 4.32Å
127M98.6Very high93.4Very high1 Ų150.7 Ų50.71%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-162.8149.8173.550.8-178.8173.800113L55 P129 F143 L144 V155 F156 S157 M158L55-M127 HydrophobicContact CB-CB 4.13Å; L55-M127 HydrophobicContact CB-SD 4.44Å; L55-M127 HydrophobicContact CD1-SD 4.5Å; L55-M127 VanDerWaalsContact O-CB 3.28Å; L55-M127 WeakPolarHBondContact O-CB 3.37Å; M127-P129 HydrophobicContact SD-CB 4.41Å; M127-P129 HydrophobicContact SD-CG 4.41Å; M127-F143 HydrophobicContact SD-CB 4.01Å; M127-F143 HydrophobicContact SD-CD1 4.33Å; M127-L144 HydrophobicContact CE-CB 4.19Å; M127-L144 HydrophobicContact CE-CD1 3.77Å; M127-V155 HydrophobicContact CE-CG1 3.42Å; M127-V155 VanDerWaalsContact CE-CG1 3.42Å; M127-F156 PolarHBondContact N-O 3.23Å; M127-S157 VanDerWaalsContact CE-OG 3.26Å; M127-S157 WeakPolarHBondContact CE-OG 3.48Å; M127-S157 WeakPolarHBondContact CG-OG 3.34Å; M127-S157 WeakPolarHBondContact O-CA 3.29Å; M127-M158 PolarHBondContact O-N 2.96Å; M127-M158 VanDerWaalsContact O-N 3.16Å
128N97Very high93.3Very high20 Ų2040.3 Ų40.311%0.10722%0.218CC..  trans-114.982157-179.617.5000107.4T28 L62 M158T28-N128 PolarHBondContact OG1-ND2 2.88Å; L62-N128 HydrophobicContact CD1-CB 4.46Å; N128-M158 HydrophobicContact CB-CB 4.36Å; N128-M158 HydrophobicContact CB-SD 3.87Å
129P97Very high93.3Very high2 Ų238.8 Ų38.81%0.01321%0.211CC..  trans-67.8159.6-173.530.9-36.7000111M127 F131 F143 M158M127-P129 HydrophobicContact SD-CB 4.41Å; M127-P129 HydrophobicContact SD-CG 4.41Å; P129-F131 PolarHBondContact O-N 3.21Å; P129-F143 HydrophobicContact CB-CB 3.66Å; P129-F143 HydrophobicContact CB-CD1 3.72Å; P129-F143 HydrophobicContact CB-CE1 4.49Å; P129-F143 HydrophobicContact CB-CG 3.72Å; P129-M158 WeakPolarHBondContact CD-O 3.49Å
130P94.8Very high93.4Very high17 Ų1738.2 Ų38.211%0.1121%0.206CC..  trans-54.8129.4165.227.1-36.4000109.1E24 G132 T139 D140 F143E24-P130 HydrophobicContact CB-CB 3.8Å; E24-P130 HydrophobicContact CG-CB 4.42Å; P130-G132 PolarHBondContact O-N 3.32Å; P130-T139 HydrophobicContact CB-CG2 4.38Å; P130-T139 HydrophobicContact CG-CG2 3.38Å; P130-D140 WeakPolarHBondContact O-CB 3.38Å; P130-D140 PolarHBondContact O-N 3.44Å; P130-F143 HydrophobicContact CG-CD2 4.11Å; P130-F143 HydrophobicContact CG-CE2 3.75Å; P130-F143 HydrophobicContact CG-CZ 4.14Å
131F91.9Very high93.4Very high9 Ų936.7 Ų36.74%0.03920%0.2CC..  trans-70.56-175-64-42000114.8Y26 P129 T133 K160 I202 V204Y26-F131 HydrophobicContact CD2-CD2 4.3Å; Y26-F131 HydrophobicContact CD2-CE2 4.45Å; Y26-F131 HydrophobicContact CE2-CD2 4.44Å; P129-F131 PolarHBondContact O-N 3.21Å; F131-T133 HydrophobicContact CB-CG2 4.27Å; F131-K160 HydrophobicContact CB-CD 3.94Å; F131-K160 HydrophobicContact CB-CG 3.97Å; F131-K160 HydrophobicContact CD1-CG 4.06Å; F131-K160 HydrophobicContact CD2-CD 4.36Å; F131-K160 HydrophobicContact CD2-CG 4.01Å; F131-K160 HydrophobicContact CG-CD 4.2Å; F131-K160 HydrophobicContact CG-CG 3.76Å; F131-I202 HydrophobicContact CE2-CG2 4.49Å; F131-V204 HydrophobicContact CE1-CG1 4.23Å; F131-V204 HydrophobicContact CE1-CG2 4.3Å; F131-V204 HydrophobicContact CE2-CG2 4.08Å; F131-V204 HydrophobicContact CZ-CG1 4.1Å; F131-V204 HydrophobicContact CZ-CG2 3.59Å
132G89.4Confident93.4Very high11 Ų1137.8 Ų37.811%0.11320%0.199CC..  trans66.142.9177.500000113.7E24 P130 N136 V137E24-G132 PolarHBondContact OE1-N 3.22Å; P130-G132 PolarHBondContact O-N 3.32Å; G132-N136 CarbonylContact C-O 3.52Å; G132-N136 WeakPolarHBondContact CA-O 3.48Å; G132-V137 WeakPolarHBondContact O-CA 3.48Å
133T83.2Confident93.4Very high33 Ų3338.2 Ų38.220%0.20220%0.2CC..  trans-89.2156.118067.90000112.6E24 F131 K135 N136E24-T133 VanDerWaalsContact CD-OG1 3.3Å; E24-T133 PolarHBondContact OE1-N 3.08Å; E24-T133 VanDerWaalsContact OE1-N 3.13Å; E24-T133 WeakPolarHBondContact OE2-CB 3.37Å; E24-T133 WeakPolarHBondContact OE2-CG2 3.29Å; E24-T133 PolarHBondContact OE2-N 2.8Å; E24-T133 PolarHBondContact OE2-OG1 3.22Å; F131-T133 HydrophobicContact CB-CG2 4.27Å; T133-K135 PolarHBondContact O-N 3.39Å; T133-N136 PolarHBondContact O-N 3.09Å
134K81.4Confident93.4Very high168 Ų16836.9 Ų36.973%0.7319%0.193SC*.THydrogen-bonded Turntrans55.1-97.9175.4-59.5175.2-178.8171.80113.1
135K81Confident93.4Very high183 Ų18339.1 Ų39.180%0.79620%0.203SC*.THydrogen-bonded Turntrans-91.9-7.2-175.9-67-171.3177.1-174.50113.3T133T133-K135 PolarHBondContact O-N 3.39Å
136N86Confident93.3Very high40 Ų4039.1 Ų39.121%0.21420%0.203CC..  trans-10624.8-173.7-62-19.7000112.4L22 E24 G132 T133 G138 T139L22-N136 PolarHBondContact O-ND2 3.33Å; E24-N136 VanDerWaalsContact OE1-CB 3.26Å; E24-N136 WeakPolarHBondContact OE1-CB 3.4Å; E24-N136 PolarHBondContact OE1-ND2 3.38Å; G132-N136 CarbonylContact C-O 3.52Å; G132-N136 WeakPolarHBondContact CA-O 3.48Å; T133-N136 PolarHBondContact O-N 3.09Å; N136-G138 PolarHBondContact O-N 2.99Å; N136-G138 VanDerWaalsContact O-N 3.1Å; N136-T139 WeakPolarHBondContact O-CB 2.92Å; N136-T139 PolarHBondContact O-N 3.47Å; N136-T139 PolarHBondContact O-OG1 2.88Å
137V89.1Confident93.3Very high123 Ų12338.9 Ų38.975%0.74520%0.202SC*.THydrogen-bonded Turntrans-55.2122.5-175179.60000110.6G132G132-V137 WeakPolarHBondContact O-CA 3.48Å
138G93.1Very high93.3Very high27 Ų2738.8 Ų38.828%0.27820%0.201SC..THydrogen-bonded Turntrans90.1-4.9179.800000115.5N136 D140 M141 E142N136-G138 PolarHBondContact O-N 2.99Å; N136-G138 VanDerWaalsContact O-N 3.1Å; G138-D140 VanDerWaalsContact C-N 3.25Å; G138-D140 PolarHBondContact O-N 3.14Å; G138-M141 PolarHBondContact O-N 2.88Å; G138-M141 VanDerWaalsContact O-N 3.08Å; G138-E142 PolarHBondContact O-N 3.21Å; G138-E142 VanDerWaalsContact O-N 3.1Å
139T95.1Very high93.3Very high25 Ų2537.9 Ų37.915%0.15320%0.196CC..Hα-helixtrans-60.5-35.4178.5-55.10000112.1L108 P130 N136 M141 E142 F143L108-T139 HydrophobicContact CD1-CG2 4.3Å; L108-T139 HydrophobicContact CD2-CG2 3.98Å; P130-T139 HydrophobicContact CB-CG2 4.38Å; P130-T139 HydrophobicContact CG-CG2 3.38Å; N136-T139 WeakPolarHBondContact O-CB 2.92Å; N136-T139 PolarHBondContact O-N 3.47Å; N136-T139 PolarHBondContact O-OG1 2.88Å; T139-M141 VanDerWaalsContact C-N 3.29Å; T139-M141 PolarHBondContact O-N 2.88Å; T139-E142 PolarHBondContact O-N 3.22Å; T139-F143 HydrophobicContact CG2-CD2 3.81Å; T139-F143 HydrophobicContact CG2-CE2 3.78Å; T139-F143 WeakPolarHBondContact O-CD2 3.34Å; T139-F143 PolarHBondContact O-N 3.36Å
140D96.5Very high93.4Very high12 Ų1237.8 Ų37.86%0.06420%0.196CC..Hα-helixtrans-59.3-39.5174.565.2-38.8000112.5P130 G138 L144 H159P130-D140 WeakPolarHBondContact O-CB 3.38Å; P130-D140 PolarHBondContact O-N 3.44Å; G138-D140 VanDerWaalsContact C-N 3.25Å; G138-D140 PolarHBondContact O-N 3.14Å; D140-L144 WeakPolarHBondContact O-CB 3.47Å; D140-L144 PolarHBondContact O-N 2.87Å; D140-H159 IonicContact OD2-ND1 3.93Å
141M97.2Very high93.6Very high14 Ų1437 Ų377%0.06919%0.19CC..Hα-helixtrans-74.2-34178.4-59.9-54.1-51.600112.5G138 T139 L144 K145 I167 K170 W174G138-M141 PolarHBondContact O-N 2.88Å; G138-M141 VanDerWaalsContact O-N 3.08Å; T139-M141 VanDerWaalsContact C-N 3.29Å; T139-M141 PolarHBondContact O-N 2.88Å; M141-L144 HydrophobicContact CE-CD2 3.9Å; M141-L144 WeakPolarHBondContact O-CB 3.37Å; M141-L144 PolarHBondContact O-N 2.93Å; M141-K145 WeakPolarHBondContact O-CG 3.3Å; M141-K145 PolarHBondContact O-N 2.87Å; M141-I167 HydrophobicContact SD-CG1 3.85Å; M141-K170 HydrophobicContact CE-CB 3.93Å; M141-K170 HydrophobicContact CE-CG 3.99Å; M141-W174 HydrophobicContact CE-CH2 3.37Å; M141-W174 HydrophobicContact CE-CZ2 4.17Å; M141-W174 HydrophobicContact CE-CZ3 3.91Å
142E97.2Very high93.8Very high64 Ų6441 Ų4130%0.29921%0.208SC..Hα-helixtrans-71-38.8174-63.6-49.7124.700111.6L108 A111 G138 T139 L144 K145 A146L108-E142 HydrophobicContact CD2-CB 3.59Å; A111-E142 HydrophobicContact CB-CB 4.24Å; A111-E142 WeakPolarHBondContact CB-O 3.44Å; A111-E142 VanDerWaalsContact CB-OE2 3.3Å; A111-E142 WeakPolarHBondContact CB-OE2 3.22Å; G138-E142 PolarHBondContact O-N 3.21Å; G138-E142 VanDerWaalsContact O-N 3.1Å; T139-E142 PolarHBondContact O-N 3.22Å; E142-L144 VanDerWaalsContact C-N 3.28Å; E142-L144 PolarHBondContact O-N 3.26Å; E142-K145 PolarHBondContact O-N 3.4Å; E142-K145 IonicContact OE1-NZ 3.92Å; E142-K145 PolarHBondContact OE1-NZ 2.98Å; E142-K145 IonicContact OE2-NZ 2.97Å; E142-K145 PolarHBondContact OE2-NZ 3.19Å; E142-A146 WeakPolarHBondContact O-CB 3.25Å; E142-A146 PolarHBondContact O-N 3.25Å
143F98.3Very high94.2Very high21 Ų2144.3 Ų44.39%0.09222%0.221CC..Hα-helixtrans-57.4-42.7167.2-93.9-110.9000111.4L55 V107 L108 M127 P129 P130 T139 K145 A146 G147L55-F143 HydrophobicContact CB-CD1 4.02Å; L55-F143 HydrophobicContact CB-CE1 4.22Å; V107-F143 HydrophobicContact CG2-CD1 3.95Å; V107-F143 HydrophobicContact CG2-CD2 4.17Å; V107-F143 HydrophobicContact CG2-CE1 3.57Å; V107-F143 HydrophobicContact CG2-CE2 3.82Å; V107-F143 HydrophobicContact CG2-CG 4.25Å; V107-F143 HydrophobicContact CG2-CZ 3.5Å; L108-F143 HydrophobicContact CD2-CD2 3.58Å; L108-F143 HydrophobicContact CD2-CE2 3.75Å; L108-F143 HydrophobicContact CG-CE2 4.42Å; M127-F143 HydrophobicContact SD-CB 4.01Å; M127-F143 HydrophobicContact SD-CD1 4.33Å; P129-F143 HydrophobicContact CB-CB 3.66Å; P129-F143 HydrophobicContact CB-CD1 3.72Å; P129-F143 HydrophobicContact CB-CE1 4.49Å; P129-F143 HydrophobicContact CB-CG 3.72Å; P130-F143 HydrophobicContact CG-CD2 4.11Å; P130-F143 HydrophobicContact CG-CE2 3.75Å; P130-F143 HydrophobicContact CG-CZ 4.14Å; T139-F143 HydrophobicContact CG2-CD2 3.81Å; T139-F143 HydrophobicContact CG2-CE2 3.78Å; T139-F143 WeakPolarHBondContact O-CD2 3.34Å; T139-F143 PolarHBondContact O-N 3.36Å; F143-K145 PolarHBondContact O-N 3.21Å; F143-A146 PolarHBondContact O-N 3.45Å; F143-G147 PolarHBondContact O-N 3.1Å
144L98.3Very high94.9Very high0 Ų042.8 Ų42.80%021%0.211CC..Hα-helixtrans-62.3-42.9177.5-177.656.6000112.6M127 D140 M141 E142 G147 I148 V155 I167 W174 F209M127-L144 HydrophobicContact CE-CB 4.19Å; M127-L144 HydrophobicContact CE-CD1 3.77Å; D140-L144 WeakPolarHBondContact O-CB 3.47Å; D140-L144 PolarHBondContact O-N 2.87Å; M141-L144 HydrophobicContact CE-CD2 3.9Å; M141-L144 WeakPolarHBondContact O-CB 3.37Å; M141-L144 PolarHBondContact O-N 2.93Å; E142-L144 VanDerWaalsContact C-N 3.28Å; E142-L144 PolarHBondContact O-N 3.26Å; L144-G147 PolarHBondContact O-N 3.32Å; L144-I148 HydrophobicContact CD1-CD1 4.01Å; L144-I148 HydrophobicContact CD1-CG1 4.28Å; L144-I148 HydrophobicContact CG-CD1 3.93Å; L144-I148 WeakPolarHBondContact O-CD1 3.4Å; L144-I148 VanDerWaalsContact O-CG1 3.26Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 2.99Å; L144-V155 HydrophobicContact CD1-CG1 4.17Å; L144-I167 HydrophobicContact CD2-CG2 4.33Å; L144-W174 HydrophobicContact CD2-CH2 4.39Å; L144-W174 HydrophobicContact CD2-CZ3 3.76Å; L144-W174 HydrophobicContact CG-CZ3 4.06Å; L144-F209 HydrophobicContact CD1-CD1 4.34Å; L144-F209 HydrophobicContact CD1-CD2 3.52Å; L144-F209 HydrophobicContact CD1-CE1 4.27Å; L144-F209 HydrophobicContact CD1-CE2 3.44Å; L144-F209 VanDerWaalsContact CD1-CE2 3.44Å; L144-F209 HydrophobicContact CD1-CG 3.97Å; L144-F209 HydrophobicContact CD1-CZ 3.83Å; L144-F209 HydrophobicContact CD2-CD1 4.4Å; L144-F209 HydrophobicContact CD2-CE1 3.71Å; L144-F209 HydrophobicContact CD2-CE2 3.97Å; L144-F209 HydrophobicContact CD2-CZ 3.45Å; L144-F209 VanDerWaalsContact CD2-CZ 3.45Å; L144-F209 HydrophobicContact CG-CE2 4.38Å; L144-F209 HydrophobicContact CG-CZ 4.31Å
145K97.9Very high95.7Very high46 Ų4634.8 Ų34.820%0.218%0.176CC..Hα-helixtrans-62.4-45.3173.8-70.4174.9-174.6166.20112A111 M141 E142 F143 G147 I148 N149 W174 F217A111-K145 HydrophobicContact CB-CB 3.83Å; A111-K145 HydrophobicContact CB-CD 4.27Å; M141-K145 WeakPolarHBondContact O-CG 3.3Å; M141-K145 PolarHBondContact O-N 2.87Å; E142-K145 PolarHBondContact O-N 3.4Å; E142-K145 IonicContact OE1-NZ 3.92Å; E142-K145 PolarHBondContact OE1-NZ 2.98Å; E142-K145 IonicContact OE2-NZ 2.97Å; E142-K145 PolarHBondContact OE2-NZ 3.19Å; F143-K145 PolarHBondContact O-N 3.21Å; K145-G147 VanDerWaalsContact C-N 3.33Å; K145-G147 PolarHBondContact O-N 2.92Å; K145-I148 PolarHBondContact O-N 3.36Å; K145-N149 PolarHBondContact O-N 2.66Å; K145-W174 HydrophobicContact CG-CH2 4.06Å; K145-W174 HydrophobicContact CG-CZ2 4.26Å; K145-F217 HydrophobicContact CB-CB 4.19Å; K145-F217 HydrophobicContact CB-CD2 3.67Å; K145-F217 HydrophobicContact CB-CE2 4.19Å; K145-F217 HydrophobicContact CB-CG 3.92Å; K145-F217 HydrophobicContact CD-CB 4.35Å; K145-F217 HydrophobicContact CD-CD1 4.2Å; K145-F217 HydrophobicContact CD-CG 4.14Å; K145-F217 HydrophobicContact CG-CB 4.32Å; K145-F217 HydrophobicContact CG-CD1 3.96Å; K145-F217 HydrophobicContact CG-CD2 3.75Å; K145-F217 HydrophobicContact CG-CE1 4.2Å; K145-F217 HydrophobicContact CG-CE2 3.98Å; K145-F217 HydrophobicContact CG-CG 3.73Å; K145-F217 HydrophobicContact CG-CZ 4.21Å
146A98.1Very high96.6Very high0 Ų026.1 Ų26.10%014%0.139CC..Hα-helixtrans-57.5-47.4175.600000110.9L55 V107 L110 E142 F143 I148 N149 L150L55-A146 HydrophobicContact CD1-CB 4.1Å; V107-A146 VanDerWaalsContact O-CB 3.32Å; V107-A146 WeakPolarHBondContact O-CB 3.13Å; L110-A146 HydrophobicContact CB-CB 3.89Å; E142-A146 WeakPolarHBondContact O-CB 3.25Å; E142-A146 PolarHBondContact O-N 3.25Å; F143-A146 PolarHBondContact O-N 3.45Å; A146-I148 PolarHBondContact O-N 2.86Å; A146-N149 WeakPolarHBondContact O-CB 3.36Å; A146-N149 PolarHBondContact O-N 2.92Å; A146-L150 WeakPolarHBondContact O-CG 3.31Å; A146-L150 PolarHBondContact O-N 3.07Å
147G98.5Very high97.2Very high0 Ų024.2 Ų24.20%013%0.129CC..Hα-helixtrans-59.1-44.1175.700000113F143 L144 K145 N149 L150 A151 V155F143-G147 PolarHBondContact O-N 3.1Å; L144-G147 PolarHBondContact O-N 3.32Å; K145-G147 VanDerWaalsContact C-N 3.33Å; K145-G147 PolarHBondContact O-N 2.92Å; G147-N149 VanDerWaalsContact C-N 3.31Å; G147-N149 PolarHBondContact O-N 3.43Å; G147-L150 PolarHBondContact O-N 2.9Å; G147-A151 VanDerWaalsContact O-CB 3.28Å; G147-A151 WeakPolarHBondContact O-CB 3.44Å; G147-A151 PolarHBondContact O-N 2.89Å; G147-V155 VanDerWaalsContact C-CG2 3.49Å; G147-V155 WeakPolarHBondContact O-CG2 3.34Å
148I98.3Very high97.6Very high0 Ų018.4 Ų18.40%09%0.093CC..Hα-helixtrans-64.7-37177.2-68.6161.7000111.4K120 L144 K145 A146 L150 V155 W174 I176 L212 R215 F217K120-I148 PolarHBondContact NZ-O 3.48Å; L144-I148 HydrophobicContact CD1-CD1 4.01Å; L144-I148 HydrophobicContact CD1-CG1 4.28Å; L144-I148 HydrophobicContact CG-CD1 3.93Å; L144-I148 WeakPolarHBondContact O-CD1 3.4Å; L144-I148 VanDerWaalsContact O-CG1 3.26Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 2.99Å; K145-I148 PolarHBondContact O-N 3.36Å; A146-I148 PolarHBondContact O-N 2.86Å; I148-L150 VanDerWaalsContact C-N 3.33Å; I148-V155 HydrophobicContact CG1-CG2 4.03Å; I148-W174 HydrophobicContact CD1-CE3 4.13Å; I148-W174 HydrophobicContact CD1-CZ3 4.09Å; I148-I176 HydrophobicContact CD1-CD1 3.5Å; I148-I176 HydrophobicContact CG1-CD1 4.4Å; I148-L212 HydrophobicContact CG1-CD2 4.12Å; I148-L212 HydrophobicContact CG2-CD2 4.16Å; I148-R215 HydrophobicContact CG2-CB 4.35Å; I148-R215 HydrophobicContact CG2-CG 3.89Å; I148-F217 HydrophobicContact CB-CD2 4.24Å; I148-F217 HydrophobicContact CB-CE2 3.75Å; I148-F217 HydrophobicContact CD1-CE2 3.63Å; I148-F217 HydrophobicContact CD1-CZ 4.14Å; I148-F217 HydrophobicContact CG1-CE2 4.3Å; I148-F217 HydrophobicContact CG2-CD2 4.15Å; I148-F217 HydrophobicContact CG2-CE2 3.6Å
149N97.4Very high97.7Very high0 Ų017.2 Ų17.20%08%0.08CC..Hα-helixtrans-64-39.9175.7-78-1.1000111.8L110 C119 K120 K145 A146 G147 L216 F217L110-N149 PolarHBondContact O-ND2 2.77Å; C119-N149 CarbonylContact C-O 3.45Å; C119-N149 VanDerWaalsContact CA-O 3.3Å; C119-N149 WeakPolarHBondContact CA-O 3.46Å; K120-N149 PolarHBondContact N-O 2.91Å; K145-N149 PolarHBondContact O-N 2.66Å; A146-N149 WeakPolarHBondContact O-CB 3.36Å; A146-N149 PolarHBondContact O-N 2.92Å; G147-N149 VanDerWaalsContact C-N 3.31Å; G147-N149 PolarHBondContact O-N 3.43Å; N149-L216 HydrophobicContact CB-CD2 4.26Å; N149-L216 VanDerWaalsContact OD1-CA 3.25Å; N149-L216 WeakPolarHBondContact OD1-CA 3.49Å; N149-F217 PolarHBondContact ND2-O 3.32Å; N149-F217 PolarHBondContact OD1-N 3.23Å
150L98.2Very high97.7Very high0 Ų018 Ų180%08%0.081CC..Hα-helixtrans-78.2-33-178.7-67.3-174.1000114.4A53 L55 L110 L118 K120 A121 F122 V125 A146 G147 I148A53-L150 HydrophobicContact CB-CD1 4.5Å; L55-L150 HydrophobicContact CD1-CD1 4.19Å; L55-L150 HydrophobicContact CD2-CD1 3.68Å; L55-L150 HydrophobicContact CG-CD1 4.47Å; L110-L150 HydrophobicContact CD1-CD1 4Å; L110-L150 HydrophobicContact CD1-CD2 4.11Å; L110-L150 HydrophobicContact CD1-CG 4.3Å; L118-L150 HydrophobicContact CB-CD2 3.41Å; L118-L150 VanDerWaalsContact CB-CD2 3.41Å; L118-L150 WeakPolarHBondContact O-CD2 3.33Å; K120-L150 CarbonylContact C-O 3.43Å; K120-L150 WeakPolarHBondContact CA-O 3.49Å; K120-L150 PolarHBondContact N-O 2.88Å; A121-L150 PolarHBondContact N-O 3.03Å; F122-L150 HydrophobicContact CD2-CB 4.13Å; F122-L150 PolarHBondContact N-O 2.75Å; F122-L150 VanDerWaalsContact N-O 3.17Å; V125-L150 HydrophobicContact CG2-CB 3.85Å; A146-L150 WeakPolarHBondContact O-CG 3.31Å; A146-L150 PolarHBondContact O-N 3.07Å; G147-L150 PolarHBondContact O-N 2.9Å; I148-L150 VanDerWaalsContact C-N 3.33Å
151A98.5Very high97.7Very high0 Ų018.9 Ų18.90%09%0.088CC..EExtended strand (participates in β ladder)trans-84132.3-172.500000113.4K120 F122 V125 G147 S154 V155 L212K120-A151 WeakPolarHBondContact CD-O 3.41Å; K120-A151 PolarHBondContact NZ-O 2.94Å; F122-A151 CarbonylContact O-C 3.59Å; F122-A151 WeakPolarHBondContact O-CA 3.43Å; V125-A151 HydrophobicContact CB-CB 4.27Å; V125-A151 HydrophobicContact CG2-CB 3.76Å; G147-A151 VanDerWaalsContact O-CB 3.28Å; G147-A151 WeakPolarHBondContact O-CB 3.44Å; G147-A151 PolarHBondContact O-N 2.89Å; A151-S154 WeakPolarHBondContact CB-O 3.43Å; A151-V155 HydrophobicContact CB-CG2 3.73Å; A151-L212 HydrophobicContact CB-CD1 3.66Å
152K97.4Very high97.6Very high94 Ų9423.4 Ų23.441%0.40912%0.12SC..EExtended strand (participates in β ladder)trans-75-46.5168.4-63174.5-156.4156.20111.8K120 F122 D123K120-K152 HydrophobicContact CB-CG 4.09Å; K120-K152 WeakPolarHBondContact O-CE 3.27Å; K120-K152 WeakPolarHBondContact O-CG 3.33Å; F122-K152 WeakPolarHBondContact O-CG 3.42Å; F122-K152 PolarHBondContact O-N 3.04Å; D123-K152 WeakPolarHBondContact OD1-CD 3.47Å; D123-K152 IonicContact OD1-NZ 3.9Å; D123-K152 PolarHBondContact OD1-NZ 3.26Å
153Q96.7Very high97.4Very high81 Ų8122 Ų2238%0.37912%0.116SC..EExtended strand (participates in β ladder)trans-106.6-61-169.4-59.7-179.99.200111.5D123 L212D123-Q153 WeakPolarHBondContact O-CB 3.36Å; D123-Q153 PolarHBondContact O-N 3.13Å; Q153-L212 WeakPolarHBondContact O-CG 3.41Å
154S98.6Very high97.4Very high1 Ų124.1 Ų24.11%0.00712%0.124CC..EExtended strand (participates in β ladder)trans-147.2151.9-166.5-59.40000112.9E46 V124 V125 A151 R208 F209E46-S154 VanDerWaalsContact CD-OG 3.24Å; E46-S154 PolarHBondContact OE1-OG 3.43Å; E46-S154 WeakPolarHBondContact OE2-CB 3.33Å; E46-S154 PolarHBondContact OE2-OG 2.95Å; V124-S154 WeakPolarHBondContact CA-O 3.47Å; V125-S154 PolarHBondContact N-O 2.91Å; A151-S154 WeakPolarHBondContact CB-O 3.43Å; S154-R208 PolarHBondContact OG-NE 2.96Å; S154-R208 PolarHBondContact OG-NH2 3.27Å; S154-R208 VanDerWaalsContact OG-NH2 3.07Å; S154-F209 CarbonylContact C-O 3.53Å; S154-F209 VanDerWaalsContact CA-O 3.23Å; S154-F209 WeakPolarHBondContact CA-O 3.41Å
155V98.9Very high97.4Very high0 Ų031 Ų310%016%0.156CC..EExtended strand (participates in β ladder)trans-119128.2168.7-177.20000108.4V125 M127 L144 G147 I148 A151 R208 F209 L212V125-V155 HydrophobicContact CB-CG1 4.25Å; V125-V155 HydrophobicContact CB-CG2 4.23Å; V125-V155 HydrophobicContact CG1-CG1 4.2Å; V125-V155 CarbonylContact O-C 3.52Å; V125-V155 WeakPolarHBondContact O-CA 3.48Å; M127-V155 HydrophobicContact CE-CG1 3.42Å; M127-V155 VanDerWaalsContact CE-CG1 3.42Å; L144-V155 HydrophobicContact CD1-CG1 4.17Å; G147-V155 VanDerWaalsContact C-CG2 3.49Å; G147-V155 WeakPolarHBondContact O-CG2 3.34Å; I148-V155 HydrophobicContact CG1-CG2 4.03Å; A151-V155 HydrophobicContact CB-CG2 3.73Å; V155-R208 CarbonylContact O-C 3.58Å; V155-R208 WeakPolarHBondContact O-CA 3.37Å; V155-F209 HydrophobicContact CB-CB 4.24Å; V155-F209 HydrophobicContact CB-CD2 4.33Å; V155-F209 HydrophobicContact CG1-CD2 4.5Å; V155-F209 PolarHBondContact N-O 3.02Å; V155-F209 PolarHBondContact O-N 2.63Å; V155-L212 HydrophobicContact CG2-CD1 4.09Å
156F98.9Very high97.3Very high1 Ų133.3 Ų33.30%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-109.2121.2172.5-67-93000109.4V40 F44 E46 V124 V125 V126 M127 L181 F206 V207 R208V40-F156 HydrophobicContact CB-CE1 4.34Å; V40-F156 HydrophobicContact CB-CE2 4.4Å; V40-F156 HydrophobicContact CB-CZ 4.23Å; V40-F156 HydrophobicContact CG1-CD2 3.89Å; V40-F156 HydrophobicContact CG1-CE1 4.25Å; V40-F156 HydrophobicContact CG1-CE2 3.49Å; V40-F156 VanDerWaalsContact CG1-CE2 3.49Å; V40-F156 HydrophobicContact CG1-CG 4.43Å; V40-F156 HydrophobicContact CG1-CZ 3.68Å; V40-F156 HydrophobicContact CG2-CB 4.33Å; V40-F156 HydrophobicContact CG2-CD1 3.57Å; V40-F156 HydrophobicContact CG2-CD2 4Å; V40-F156 HydrophobicContact CG2-CE1 3.7Å; V40-F156 HydrophobicContact CG2-CE2 4.15Å; V40-F156 HydrophobicContact CG2-CG 3.7Å; V40-F156 HydrophobicContact CG2-CZ 3.99Å; F44-F156 HydrophobicContact CB-CZ 4.33Å; F44-F156 AromaticContact CD2-CE1 3.89Å; F44-F156 HydrophobicContact CD2-CE1 3.89Å; F44-F156 AromaticContact CD2-CZ 3.99Å; F44-F156 HydrophobicContact CD2-CZ 3.99Å; F44-F156 HydrophobicContact CE2-CE1 4.17Å; F44-F156 HydrophobicContact CG-CZ 4.23Å; E46-F156 HydrophobicContact CB-CE2 4.26Å; E46-F156 HydrophobicContact CB-CZ 4.47Å; E46-F156 WeakPolarHBondContact OE2-CE2 3.49Å; E46-F156 WeakPolarHBondContact OE2-CZ 3.32Å; V124-F156 HydrophobicContact CG1-CD2 3.63Å; V124-F156 HydrophobicContact CG1-CE2 3.78Å; V125-F156 PolarHBondContact O-N 2.86Å; V126-F156 CarbonylContact C-O 3.59Å; V126-F156 VanDerWaalsContact CA-O 3.3Å; V126-F156 WeakPolarHBondContact CA-O 3.36Å; V126-F156 HydrophobicContact CG1-CB 4.32Å; M127-F156 PolarHBondContact N-O 3.23Å; F156-L181 HydrophobicContact CD1-CD1 3.94Å; F156-L181 HydrophobicContact CE1-CD1 3.79Å; F156-F206 HydrophobicContact CB-CE2 3.74Å; F156-F206 HydrophobicContact CB-CZ 3.75Å; F156-F206 HydrophobicContact CD1-CE1 4.07Å; F156-F206 HydrophobicContact CD1-CE2 4.31Å; F156-F206 AromaticContact CD1-CZ 3.59Å; F156-F206 HydrophobicContact CD1-CZ 3.59Å; F156-F206 HydrophobicContact CG-CZ 4.05Å; F156-V207 CarbonylContact C-O 3.59Å; F156-V207 VanDerWaalsContact CA-O 3.32Å; F156-V207 WeakPolarHBondContact CA-O 3.41Å; F156-R208 HydrophobicContact CD1-CB 3.91Å; F156-R208 HydrophobicContact CD1-CG 4.07Å; F156-R208 HydrophobicContact CE1-CB 3.73Å; F156-R208 VanDerWaalsContact CE1-CD 3.48Å; F156-R208 HydrophobicContact CE1-CG 3.58Å; F156-R208 HydrophobicContact CE2-CG 4.42Å; F156-R208 HydrophobicContact CZ-CB 4.43Å; F156-R208 VanDerWaalsContact CZ-CD 3.5Å; F156-R208 HydrophobicContact CZ-CG 3.77Å
157S98.7Very high97.3Very high0 Ų033.3 Ų33.30%017%0.167CC..EExtended strand (participates in β ladder)trans-138.2147.4-170.1-166.30000112.1M127 H159 V207M127-S157 VanDerWaalsContact CE-OG 3.26Å; M127-S157 WeakPolarHBondContact CE-OG 3.48Å; M127-S157 WeakPolarHBondContact CG-OG 3.34Å; M127-S157 WeakPolarHBondContact O-CA 3.29Å; S157-H159 VanDerWaalsContact CB-NE2 3.26Å; S157-H159 WeakPolarHBondContact CB-NE2 3.36Å; S157-H159 PolarHBondContact OG-CD2 3.43Å; S157-H159 PolarHBondContact OG-CE1 3.23Å; S157-H159 PolarHBondContact OG-NE2 2.99Å; S157-V207 PolarHBondContact N-O 3.32Å; S157-V207 PolarHBondContact O-N 2.96Å
158M97.6Very high97.3Very high1 Ų136.9 Ų36.91%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-99.1122.9173-64.8176.9-173.400110T28 I32 A36 L62 M127 N128 P129 F186 V204 D205 F206T28-M158 HydrophobicContact CG2-CE 3.92Å; T28-M158 HydrophobicContact CG2-SD 4.16Å; I32-M158 HydrophobicContact CG2-CE 3.56Å; I32-M158 HydrophobicContact CG2-SD 4.14Å; A36-M158 HydrophobicContact CB-CE 4.09Å; L62-M158 HydrophobicContact CD2-CE 4.35Å; M127-M158 PolarHBondContact O-N 2.96Å; M127-M158 VanDerWaalsContact O-N 3.16Å; N128-M158 HydrophobicContact CB-CB 4.36Å; N128-M158 HydrophobicContact CB-SD 3.87Å; P129-M158 WeakPolarHBondContact CD-O 3.49Å; M158-F186 HydrophobicContact SD-CE2 4.21Å; M158-F186 HydrophobicContact SD-CZ 3.62Å; M158-V204 HydrophobicContact CB-CG1 3.74Å; M158-V204 HydrophobicContact CG-CG1 4.42Å; M158-D205 WeakPolarHBondContact CA-O 3.37Å; M158-F206 HydrophobicContact CE-CD2 4.35Å; M158-F206 HydrophobicContact CG-CD2 4.1Å
159H96.3Very high97.3Very high1 Ų143.2 Ų43.21%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-132.7150.1179.4-67.6-83.8000110.8D140 S157 T161 I167 V204 D205 F209D140-H159 IonicContact OD2-ND1 3.93Å; S157-H159 VanDerWaalsContact CB-NE2 3.26Å; S157-H159 WeakPolarHBondContact CB-NE2 3.36Å; S157-H159 PolarHBondContact OG-CD2 3.43Å; S157-H159 PolarHBondContact OG-CE1 3.23Å; S157-H159 PolarHBondContact OG-NE2 2.99Å; H159-T161 PolarHBondContact O-N 3.48Å; H159-I167 HydrophobicContact CB-CD1 3.44Å; H159-I167 VanDerWaalsContact CB-CD1 3.44Å; H159-V204 CarbonylContact O-C 3.59Å; H159-V204 VanDerWaalsContact O-CA 3.31Å; H159-V204 WeakPolarHBondContact O-CA 3.42Å; H159-V204 WeakPolarHBondContact O-CG1 3.41Å; H159-D205 PolarHBondContact N-O 3.48Å; H159-D205 PolarHBondContact O-N 3.06Å; H159-F209 AromaticContact NE2-CE2 3.98Å
160K94.6Very high97.3Very high41 Ų4146.5 Ų46.518%0.17823%0.231CC..EExtended strand (participates in β ladder)trans-58134174.4-72.5-175.7170.7-173.50110.5F131 S162 T163 I202F131-K160 HydrophobicContact CB-CD 3.94Å; F131-K160 HydrophobicContact CB-CG 3.97Å; F131-K160 HydrophobicContact CD1-CG 4.06Å; F131-K160 HydrophobicContact CD2-CD 4.36Å; F131-K160 HydrophobicContact CD2-CG 4.01Å; F131-K160 HydrophobicContact CG-CD 4.2Å; F131-K160 HydrophobicContact CG-CG 3.76Å; K160-S162 PolarHBondContact O-N 2.9Å; K160-S162 VanDerWaalsContact O-N 3.07Å; K160-T163 HydrophobicContact CB-CG2 4.29Å; K160-T163 PolarHBondContact O-N 3.34Å; K160-T163 PolarHBondContact O-OG1 3.21Å; K160-I202 HydrophobicContact CD-CG2 4.41Å; K160-I202 HydrophobicContact CG-CG2 4.06Å
161T95.8Very high97.2Very high32 Ų3246.6 Ų46.620%0.19623%0.232CC..G310 helixtrans-56.3-31.5176.7-54.80000111.8H159 T163 R164 A203 V204 D205H159-T161 PolarHBondContact O-N 3.48Å; T161-T163 PolarHBondContact O-N 3.45Å; T161-R164 WeakPolarHBondContact O-CB 3.25Å; T161-R164 PolarHBondContact O-N 3.05Å; T161-R164 VanDerWaalsContact O-N 3.16Å; T161-A203 PolarHBondContact N-O 2.72Å; T161-A203 VanDerWaalsContact OG1-C 3.24Å; T161-A203 PolarHBondContact OG1-O 3.24Å; T161-V204 PolarHBondContact OG1-N 3.45Å; T161-D205 WeakPolarHBondContact CB-OD1 3.4Å; T161-D205 WeakPolarHBondContact CG2-OD1 3.22Å; T161-D205 PolarHBondContact OG1-OD1 3.35Å
162S94.5Very high97.2Very high108 Ų10849.8 Ų49.876%0.75526%0.258SS*.G310 helixtrans-66.4-16.6175.660.20000114.9K160K160-S162 PolarHBondContact O-N 2.9Å; K160-S162 VanDerWaalsContact O-N 3.07Å
163T95Very high97.1Very high34 Ų3450.6 Ų50.621%0.20927%0.266CS..G310 helixtrans-96.7-3.8175.363.90000113K160 T161 E165 H166 I167K160-T163 HydrophobicContact CB-CG2 4.29Å; K160-T163 PolarHBondContact O-N 3.34Å; K160-T163 PolarHBondContact O-OG1 3.21Å; T161-T163 PolarHBondContact O-N 3.45Å; T163-E165 PolarHBondContact O-N 2.88Å; T163-H166 WeakPolarHBondContact O-CB 3.28Å; T163-H166 PolarHBondContact O-N 3.48Å; T163-I167 WeakPolarHBondContact O-CG1 3.43Å; T163-I167 PolarHBondContact O-N 2.93Å; T163-I167 VanDerWaalsContact O-N 3.08Å; T163-I167 WeakPolarHBondContact OG1-CD1 3.4Å
164R97.2Very high97.1Very high67 Ų6748.3 Ų48.325%0.25325%0.254SS..Hα-helixtrans-46.7-52.8-177.9-178.4-173.3-65.3179.6-1.3113.1T161 H166 I167 V168 M178 V180 E183 D205T161-R164 WeakPolarHBondContact O-CB 3.25Å; T161-R164 PolarHBondContact O-N 3.05Å; T161-R164 VanDerWaalsContact O-N 3.16Å; R164-H166 VanDerWaalsContact C-N 3.26Å; R164-H166 PolarHBondContact O-N 3.43Å; R164-I167 PolarHBondContact O-N 3.29Å; R164-I167 VanDerWaalsContact O-N 3.15Å; R164-V168 HydrophobicContact CG-CG2 4.26Å; R164-V168 WeakPolarHBondContact O-CG2 3.45Å; R164-V168 PolarHBondContact O-N 2.88Å; R164-M178 HydrophobicContact CG-CE 4.45Å; R164-V180 HydrophobicContact CG-CG2 4.36Å; R164-E183 IonicContact CZ-OE1 2.94Å; R164-E183 IonicContact NH1-OE1 3.03Å; R164-E183 PolarHBondContact NH1-OE1 2.87Å; R164-E183 VanDerWaalsContact NH2-CD 3.27Å; R164-E183 IonicContact NH2-OE1 3.96Å; R164-E183 PolarHBondContact NH2-OE1 2.89Å; R164-D205 IonicContact CZ-OD1 2.69Å; R164-D205 IonicContact CZ-OD2 3Å; R164-D205 VanDerWaalsContact CZ-OD2 3.25Å; R164-D205 IonicContact NE-OD1 3.25Å; R164-D205 IonicContact NE-OD2 3.32Å; R164-D205 PolarHBondContact NE-OD2 3.29Å; R164-D205 IonicContact NH2-OD1 2.69Å; R164-D205 PolarHBondContact NH2-OD1 2.85Å; R164-D205 IonicContact NH2-OD2 3.72Å; R164-D205 PolarHBondContact NH2-OD2 2.93Å
165E97.5Very high97Very high145 Ų14556 Ų5668%0.67829%0.288SS*.Hα-helixtrans-60.8-35.9-177.4-67.9-173.5-176.500112.9T163 K169T163-E165 PolarHBondContact O-N 2.88Å; E165-K169 WeakPolarHBondContact O-CG 3.24Å; E165-K169 PolarHBondContact O-N 3.37Å
166H96.7Very high96.9Very high93 Ų9356.5 Ų56.543%0.43129%0.291SS..Hα-helixtrans-67-46.3176.4-178.774.7000110.7T163 R164 K169 K170T163-H166 WeakPolarHBondContact O-CB 3.28Å; T163-H166 PolarHBondContact O-N 3.48Å; R164-H166 VanDerWaalsContact C-N 3.26Å; R164-H166 PolarHBondContact O-N 3.43Å; H166-K169 PolarHBondContact O-N 3.45Å; H166-K170 WeakPolarHBondContact O-CG 3.36Å; H166-K170 PolarHBondContact O-N 2.77Å
167I97.8Very high96.9Very high1 Ų159.1 Ų59.11%0.00531%0.309CS..Hα-helixtrans-65.5-40.3-179-59.6170.1000110.6M141 L144 H159 T163 R164 K169 K170 A171 M178 F209M141-I167 HydrophobicContact SD-CG1 3.85Å; L144-I167 HydrophobicContact CD2-CG2 4.33Å; H159-I167 HydrophobicContact CB-CD1 3.44Å; H159-I167 VanDerWaalsContact CB-CD1 3.44Å; T163-I167 WeakPolarHBondContact O-CG1 3.43Å; T163-I167 PolarHBondContact O-N 2.93Å; T163-I167 VanDerWaalsContact O-N 3.08Å; T163-I167 WeakPolarHBondContact OG1-CD1 3.4Å; R164-I167 PolarHBondContact O-N 3.29Å; R164-I167 VanDerWaalsContact O-N 3.15Å; I167-K169 VanDerWaalsContact C-N 3.34Å; I167-K169 PolarHBondContact O-N 2.97Å; I167-K170 PolarHBondContact O-N 2.95Å; I167-A171 WeakPolarHBondContact O-CB 3.42Å; I167-A171 PolarHBondContact O-N 2.47Å; I167-M178 HydrophobicContact CB-CE 3.99Å; I167-M178 HydrophobicContact CB-SD 4.12Å; I167-M178 HydrophobicContact CG2-CE 3.65Å; I167-M178 HydrophobicContact CG2-SD 3.55Å; I167-M178 VanDerWaalsContact CG2-SD 3.55Å; I167-F209 HydrophobicContact CG2-CE1 3.66Å; I167-F209 HydrophobicContact CG2-CZ 3.54Å
168V98.4Very high96.9Very high75 Ų7561.1 Ų61.146%0.45532%0.319SS..Hα-helixtrans-58.1-46.1174.8168.90000111.1R164 K170 A171 A172 M178R164-V168 HydrophobicContact CG-CG2 4.26Å; R164-V168 WeakPolarHBondContact O-CG2 3.45Å; R164-V168 PolarHBondContact O-N 2.88Å; V168-K170 PolarHBondContact O-N 2.95Å; V168-A171 PolarHBondContact O-N 2.9Å; V168-A172 PolarHBondContact O-N 3.31Å; V168-M178 HydrophobicContact CB-SD 4.26Å; V168-M178 HydrophobicContact CG2-CE 4.03Å; V168-M178 HydrophobicContact CG2-SD 3.57Å; V168-M178 VanDerWaalsContact CG2-SD 3.57Å
169K98.2Very high96.9Very high132 Ų13265.8 Ų65.857%0.57434%0.34SS*.Hα-helixtrans-61.7-44.2176.5-71.1169-174.91690111.2E165 H166 I167 A172 D173E165-K169 WeakPolarHBondContact O-CG 3.24Å; E165-K169 PolarHBondContact O-N 3.37Å; H166-K169 PolarHBondContact O-N 3.45Å; I167-K169 VanDerWaalsContact C-N 3.34Å; I167-K169 PolarHBondContact O-N 2.97Å; K169-A172 PolarHBondContact O-N 2.83Å; K169-D173 VanDerWaalsContact O-CG 3.24Å; K169-D173 PolarHBondContact O-N 3.03Å
170K97.3Very high97Very high70 Ų7068 Ų6830%0.30435%0.354SS..Hα-helixtrans-64.7-43.4177.8-70.7-65.1-179-1690112.8M141 H166 I167 V168 A172 D173 W174M141-K170 HydrophobicContact CE-CB 3.93Å; M141-K170 HydrophobicContact CE-CG 3.99Å; H166-K170 WeakPolarHBondContact O-CG 3.36Å; H166-K170 PolarHBondContact O-N 2.77Å; I167-K170 PolarHBondContact O-N 2.95Å; V168-K170 PolarHBondContact O-N 2.95Å; K170-A172 VanDerWaalsContact C-N 3.3Å; K170-A172 PolarHBondContact O-N 2.68Å; K170-D173 PolarHBondContact O-N 3.03Å; K170-W174 HydrophobicContact CB-CD2 4.3Å; K170-W174 HydrophobicContact CB-CE3 4.35Å; K170-W174 HydrophobicContact CB-CH2 4.19Å; K170-W174 HydrophobicContact CB-CZ2 4.06Å; K170-W174 HydrophobicContact CB-CZ3 4.31Å; K170-W174 HydrophobicContact CD-CZ2 4.17Å; K170-W174 HydrophobicContact CG-CZ2 4.41Å; K170-W174 WeakPolarHBondContact O-CB 3.3Å; K170-W174 PolarHBondContact O-N 3.06Å
171A97.7Very high97.2Very high2 Ų268.2 Ų68.22%0.01736%0.357CS..Hα-helixtrans-59.2-42.6175.500000111.5I167 V168 W174 K175 I176 M178I167-A171 WeakPolarHBondContact O-CB 3.42Å; I167-A171 PolarHBondContact O-N 2.47Å; V168-A171 PolarHBondContact O-N 2.9Å; A171-W174 CarbonylContact O-C 3.59Å; A171-W174 PolarHBondContact O-N 3.3Å; A171-K175 PolarHBondContact O-N 3.31Å; A171-I176 HydrophobicContact CB-CD1 4.49Å; A171-I176 HydrophobicContact CB-CG1 3.95Å; A171-I176 PolarHBondContact O-N 3.48Å; A171-M178 HydrophobicContact CB-CB 3.71Å; A171-M178 HydrophobicContact CB-SD 4.46Å
172A97.2Very high97.1Very high67 Ų6768.5 Ų68.555%0.55436%0.362SS*.Hα-helixtrans-63-46.8174.500000112.4V168 K169 K170 W174 K175V168-A172 PolarHBondContact O-N 3.31Å; K169-A172 PolarHBondContact O-N 2.83Å; K170-A172 VanDerWaalsContact C-N 3.3Å; K170-A172 PolarHBondContact O-N 2.68Å; A172-W174 VanDerWaalsContact C-N 3.25Å; A172-W174 PolarHBondContact O-N 3.08Å; A172-K175 PolarHBondContact O-N 3.11Å
173D96.6Very high97Very high110 Ų11069.5 Ų69.559%0.58836%0.355SS*.Hα-helixtrans-58.2-39.7175.6-69-18.7000111.6K169 K170 K175K169-D173 VanDerWaalsContact O-CG 3.24Å; K169-D173 PolarHBondContact O-N 3.03Å; K170-D173 PolarHBondContact O-N 3.03Å; D173-K175 PolarHBondContact O-N 3.41Å
174W96Very high96.8Very high33 Ų3369.3 Ų69.313%0.12535%0.353CS..THydrogen-bonded Turntrans-79.8-4.4178.6-58.1-19.7000113.4M141 L144 K145 I148 K170 A171 A172 I176 R215 F217M141-W174 HydrophobicContact CE-CH2 3.37Å; M141-W174 HydrophobicContact CE-CZ2 4.17Å; M141-W174 HydrophobicContact CE-CZ3 3.91Å; L144-W174 HydrophobicContact CD2-CH2 4.39Å; L144-W174 HydrophobicContact CD2-CZ3 3.76Å; L144-W174 HydrophobicContact CG-CZ3 4.06Å; K145-W174 HydrophobicContact CG-CH2 4.06Å; K145-W174 HydrophobicContact CG-CZ2 4.26Å; I148-W174 HydrophobicContact CD1-CE3 4.13Å; I148-W174 HydrophobicContact CD1-CZ3 4.09Å; K170-W174 HydrophobicContact CB-CD2 4.3Å; K170-W174 HydrophobicContact CB-CE3 4.35Å; K170-W174 HydrophobicContact CB-CH2 4.19Å; K170-W174 HydrophobicContact CB-CZ2 4.06Å; K170-W174 HydrophobicContact CB-CZ3 4.31Å; K170-W174 HydrophobicContact CD-CZ2 4.17Å; K170-W174 HydrophobicContact CG-CZ2 4.41Å; K170-W174 WeakPolarHBondContact O-CB 3.3Å; K170-W174 PolarHBondContact O-N 3.06Å; A171-W174 CarbonylContact O-C 3.59Å; A171-W174 PolarHBondContact O-N 3.3Å; A172-W174 VanDerWaalsContact C-N 3.25Å; A172-W174 PolarHBondContact O-N 3.08Å; W174-I176 HydrophobicContact CB-CD1 4.5Å; W174-I176 HydrophobicContact CB-CG1 4.26Å; W174-I176 HydrophobicContact CE3-CD1 3.99Å; W174-I176 PolarHBondContact O-N 2.9Å; W174-R215 VanDerWaalsContact O-CZ 3.24Å; W174-R215 PolarHBondContact O-NE 3.26Å; W174-R215 PolarHBondContact O-NH2 2.94Å; W174-F217 HydrophobicContact CB-CE1 4.49Å; W174-F217 HydrophobicContact CB-CZ 4.16Å; W174-F217 AromaticContact CD1-CE1 3.72Å; W174-F217 AromaticContact CD2-CE1 3.7Å; W174-F217 HydrophobicContact CD2-CE1 3.7Å; W174-F217 AromaticContact CD2-CZ 3.42Å; W174-F217 HydrophobicContact CD2-CZ 3.42Å; W174-F217 VanDerWaalsContact CD2-CZ 3.42Å; W174-F217 AromaticContact CE2-CE1 3.62Å; W174-F217 AromaticContact CE2-CZ 3.77Å; W174-F217 HydrophobicContact CE3-CE1 4.34Å; W174-F217 AromaticContact CE3-CZ 3.64Å; W174-F217 HydrophobicContact CE3-CZ 3.64Å; W174-F217 AromaticContact CG-CE1 3.74Å; W174-F217 HydrophobicContact CG-CE1 3.74Å; W174-F217 AromaticContact CG-CZ 3.66Å; W174-F217 HydrophobicContact CG-CZ 3.66Å; W174-F217 HydrophobicContact CH2-CZ 4.37Å; W174-F217 HydrophobicContact CZ2-CE1 4.16Å; W174-F217 HydrophobicContact CZ2-CZ 4.25Å; W174-F217 HydrophobicContact CZ3-CZ 4.11Å; W174-F217 AromaticContact NE1-CE1 3.65Å
175K96.4Very high96.2Very high162 Ų16275.4 Ų75.470%0.70438%0.376SS*.THydrogen-bonded Turntrans56.437.8-179-52.1-180179.71800112.8A171 A172 D173A171-K175 PolarHBondContact O-N 3.31Å; A172-K175 PolarHBondContact O-N 3.11Å; D173-K175 PolarHBondContact O-N 3.41Å
176I97.8Very high95.3Very high12 Ų1268.9 Ų68.96%0.06235%0.345CS..  trans-112.3159.4173.265.8177.1000109.6I148 A171 W174 F209 L212 R215I148-I176 HydrophobicContact CD1-CD1 3.5Å; I148-I176 HydrophobicContact CG1-CD1 4.4Å; A171-I176 HydrophobicContact CB-CD1 4.49Å; A171-I176 HydrophobicContact CB-CG1 3.95Å; A171-I176 PolarHBondContact O-N 3.48Å; W174-I176 HydrophobicContact CB-CD1 4.5Å; W174-I176 HydrophobicContact CB-CG1 4.26Å; W174-I176 HydrophobicContact CE3-CD1 3.99Å; W174-I176 PolarHBondContact O-N 2.9Å; I176-F209 HydrophobicContact CD1-CB 4.38Å; I176-F209 HydrophobicContact CD1-CD1 3.97Å; I176-L212 HydrophobicContact CB-CD2 4.4Å; I176-L212 HydrophobicContact CD1-CD2 4.45Å; I176-L212 HydrophobicContact CG2-CD2 4.15Å; I176-R215 HydrophobicContact CG2-CG 4.42Å
177S98.2Very high94.1Very high56 Ų5669.7 Ų69.739%0.39235%0.353SS..EExtended strand (participates in β ladder)trans-84.1141.5174.6-62.70000110.1F209 S210S177-F209 CarbonylContact O-C 3.58Å; S177-F209 WeakPolarHBondContact O-CA 3.48Å; S177-S210 WeakPolarHBondContact CB-OG 3.41Å; S177-S210 PolarHBondContact N-O 3.07Å; S177-S210 PolarHBondContact O-N 3.49Å
178M98.2Very high92.4Very high42 Ų4270.9 Ų70.921%0.20736%0.359CS..EExtended strand (participates in β ladder)trans-130.2132172.3177.6-166171.400108.9R164 I167 V168 A171 V180 V207 R208 F209R164-M178 HydrophobicContact CG-CE 4.45Å; I167-M178 HydrophobicContact CB-CE 3.99Å; I167-M178 HydrophobicContact CB-SD 4.12Å; I167-M178 HydrophobicContact CG2-CE 3.65Å; I167-M178 HydrophobicContact CG2-SD 3.55Å; I167-M178 VanDerWaalsContact CG2-SD 3.55Å; V168-M178 HydrophobicContact CB-SD 4.26Å; V168-M178 HydrophobicContact CG2-CE 4.03Å; V168-M178 HydrophobicContact CG2-SD 3.57Å; V168-M178 VanDerWaalsContact CG2-SD 3.57Å; A171-M178 HydrophobicContact CB-CB 3.71Å; A171-M178 HydrophobicContact CB-SD 4.46Å; M178-V180 HydrophobicContact CE-CG2 4.17Å; M178-V207 HydrophobicContact CE-CG1 3.64Å; M178-V207 HydrophobicContact CE-CG2 4.06Å; M178-V207 HydrophobicContact CG-CG1 3.43Å; M178-V207 VanDerWaalsContact CG-CG1 3.43Å; M178-V207 HydrophobicContact SD-CG1 4.3Å; M178-R208 CarbonylContact C-O 3.56Å; M178-R208 WeakPolarHBondContact CA-O 3.43Å; M178-F209 HydrophobicContact CB-CD1 3.99Å; M178-F209 HydrophobicContact CB-CE1 3.99Å; M178-F209 HydrophobicContact CG-CD1 4.07Å; M178-F209 HydrophobicContact CG-CE1 3.65Å; M178-F209 HydrophobicContact CG-CZ 4.25Å; M178-F209 HydrophobicContact SD-CE1 4.11Å
179E98.2Very high90.4Very high98 Ų9871.2 Ų71.246%0.45836%0.363SS..EExtended strand (participates in β ladder)trans-133.1127.1177-173.4-179.1-171.300109.9L181 V207 R208E179-L181 HydrophobicContact CB-CD2 4.37Å; E179-L181 HydrophobicContact CG-CD2 3.85Å; E179-V207 CarbonylContact O-C 3.51Å; E179-V207 VanDerWaalsContact O-CA 3.29Å; E179-V207 WeakPolarHBondContact O-CA 3.46Å; E179-V207 WeakPolarHBondContact O-CG1 3.5Å; E179-R208 PolarHBondContact N-O 3.44Å; E179-R208 PolarHBondContact O-N 2.88Å
180V98.4Very high88Confident49 Ų4968.4 Ų68.430%0.29736%0.36SS..EExtended strand (participates in β ladder)trans-83.1115.1170.3178.80000108R164 M178 D205 V207R164-V180 HydrophobicContact CG-CG2 4.36Å; M178-V180 HydrophobicContact CE-CG2 4.17Å; V180-D205 HydrophobicContact CG1-CB 4.02Å; V180-V207 HydrophobicContact CG2-CG2 4.35Å
181L97.5Very high85.5Confident44 Ų4469.3 Ų69.323%0.2337%0.371CS..EExtended strand (participates in β ladder)trans-89.3-33.4-176.3-58.2-177.5000112.6T39 F44 F156 E179 F206 R208T39-L181 HydrophobicContact CG2-CD1 4.23Å; F44-L181 HydrophobicContact CE2-CD1 3.65Å; F44-L181 HydrophobicContact CE2-CD2 3.82Å; F44-L181 HydrophobicContact CE2-CG 4.4Å; F44-L181 HydrophobicContact CZ-CD1 4.24Å; F44-L181 HydrophobicContact CZ-CD2 3.59Å; F156-L181 HydrophobicContact CD1-CD1 3.94Å; F156-L181 HydrophobicContact CE1-CD1 3.79Å; E179-L181 HydrophobicContact CB-CD2 4.37Å; E179-L181 HydrophobicContact CG-CD2 3.85Å; L181-F206 HydrophobicContact CB-CD1 3.94Å; L181-F206 HydrophobicContact CD1-CD1 3.87Å; L181-F206 HydrophobicContact CD1-CE1 3.7Å; L181-F206 HydrophobicContact CG-CD1 4.46Å; L181-F206 PolarHBondContact N-O 3.07Å; L181-R208 HydrophobicContact CD1-CB 3.82Å; L181-R208 HydrophobicContact CD2-CB 4.29Å; L181-R208 HydrophobicContact CG-CB 4.1Å
182A95Very high83.2Confident38 Ų3873.8 Ų73.831%0.31439%0.388SS..EExtended strand (participates in β ladder)trans-156.1150.3178.500000111.2L184 D205 F206A182-L184 HydrophobicContact CB-CD2 4.11Å; A182-L184 HydrophobicContact CB-CG 4.49Å; A182-D205 WeakPolarHBondContact O-CA 3.38Å; A182-F206 HydrophobicContact CB-CB 4.33Å; A182-F206 PolarHBondContact N-O 3.03Å; A182-F206 PolarHBondContact O-N 3.3Å
183E93.2Very high80.8Confident129 Ų12980.1 Ų80.160%0.60340%0.403SS*.EExtended strand (participates in β ladder)trans-102116.6164.5-61.5-173.9-176.500108.2R164R164-E183 IonicContact CZ-OE1 2.94Å; R164-E183 IonicContact NH1-OE1 3.03Å; R164-E183 PolarHBondContact NH1-OE1 2.87Å; R164-E183 VanDerWaalsContact NH2-CD 3.27Å; R164-E183 IonicContact NH2-OE1 3.96Å; R164-E183 PolarHBondContact NH2-OE1 2.89Å
184L90.1Very high78.4Confident30 Ų3082.9 Ų82.916%0.15741%0.413CS..EExtended strand (participates in β ladder)trans-105.6153.1-175.7-53.8172.2000110I32 A182 F186 V204 F206I32-L184 HydrophobicContact CG2-CD1 3.63Å; A182-L184 HydrophobicContact CB-CD2 4.11Å; A182-L184 HydrophobicContact CB-CG 4.49Å; L184-F186 HydrophobicContact CB-CD2 4.37Å; L184-F186 HydrophobicContact CB-CE2 4.23Å; L184-F186 HydrophobicContact CD1-CE2 4.14Å; L184-V204 WeakPolarHBondContact CA-O 3.33Å; L184-V204 HydrophobicContact CB-CB 4.47Å; L184-V204 WeakPolarHBondContact CB-O 3.39Å; L184-V204 PolarHBondContact N-O 3.43Å; L184-V204 PolarHBondContact O-N 3.26Å; L184-F206 HydrophobicContact CD1-CB 4Å
185R83.4Confident76Confident195 Ų19588.1 Ų88.174%0.73644%0.438SS*.EExtended strand (participates in β ladder)trans-110.8117170.2-64.5-173.6-178.9-163.40.8109
186F79Confident73.5Confident8 Ų891.1 Ų91.14%0.03545%0.451CS..EExtended strand (participates in β ladder)trans-94.4113.1173.4-86.7-110.7000109.3I32 M158 L184 L188 I202 V204I32-F186 HydrophobicContact CD1-CD1 4.34Å; I32-F186 HydrophobicContact CD1-CD2 3.75Å; I32-F186 HydrophobicContact CD1-CE1 4.16Å; I32-F186 HydrophobicContact CD1-CE2 3.56Å; I32-F186 HydrophobicContact CD1-CG 4.15Å; I32-F186 HydrophobicContact CD1-CZ 3.77Å; I32-F186 HydrophobicContact CG2-CE2 4.19Å; I32-F186 HydrophobicContact CG2-CZ 4Å; M158-F186 HydrophobicContact SD-CE2 4.21Å; M158-F186 HydrophobicContact SD-CZ 3.62Å; L184-F186 HydrophobicContact CB-CD2 4.37Å; L184-F186 HydrophobicContact CB-CE2 4.23Å; L184-F186 HydrophobicContact CD1-CE2 4.14Å; F186-L188 PolarHBondContact O-N 3.46Å; F186-I202 HydrophobicContact CB-CB 4.34Å; F186-I202 PolarHBondContact N-O 2.99Å; F186-I202 PolarHBondContact O-N 2.94Å; F186-V204 HydrophobicContact CB-CG2 4.28Å; F186-V204 HydrophobicContact CD2-CB 3.6Å; F186-V204 HydrophobicContact CD2-CG1 4.09Å; F186-V204 HydrophobicContact CD2-CG2 3.42Å; F186-V204 VanDerWaalsContact CD2-CG2 3.42Å; F186-V204 HydrophobicContact CE2-CB 3.75Å; F186-V204 HydrophobicContact CE2-CG1 3.72Å; F186-V204 HydrophobicContact CE2-CG2 3.92Å; F186-V204 HydrophobicContact CG-CG2 3.99Å
187D72.8Confident70.9Confident111 Ų11199.7 Ų99.759%0.59448%0.483SS*.EExtended strand (participates in β ladder)trans-81.497.3171.5-62.4-13.9000108.1P189D187-P189 VanDerWaalsContact O-CD 3.25Å; D187-P189 WeakPolarHBondContact O-CD 3.39Å
188L61Low68.6Low25 Ų25105.4 Ų105.413%0.13150%0.503CS..EExtended strand (participates in β ladder)trans-68.8119.8174.6-72.6-173.2000109.4Y26 F186 V200 I202Y26-L188 HydrophobicContact CD1-CD1 4.25Å; Y26-L188 HydrophobicContact CD1-CD2 3.29Å; Y26-L188 HydrophobicContact CD1-CG 4.42Å; Y26-L188 HydrophobicContact CE1-CD1 3.91Å; Y26-L188 HydrophobicContact CE1-CD2 3.84Å; Y26-L188 HydrophobicContact CG-CD2 3.8Å; F186-L188 PolarHBondContact O-N 3.46Å; L188-V200 PolarHBondContact N-O 3.14Å; L188-I202 HydrophobicContact CD1-CD1 3.3Å; L188-I202 HydrophobicContact CD1-CG1 4.07Å; L188-I202 HydrophobicContact CG-CD1 3.87Å; L188-I202 HydrophobicContact CG-CG1 4.28Å
189P55.9Low66.5Low82 Ų82106.6 Ų106.653%0.53252%0.516SS..  trans-61144.9177.721.7-29.7000110.2D187 T191D187-P189 VanDerWaalsContact O-CD 3.25Å; D187-P189 WeakPolarHBondContact O-CD 3.39Å; P189-T191 HydrophobicContact CB-CG2 4.17Å; P189-T191 WeakPolarHBondContact CB-OG1 3.45Å; P189-T191 WeakPolarHBondContact CG-OG1 3.09Å; P189-T191 PolarHBondContact O-N 3.19Å; P189-T191 PolarHBondContact O-OG1 3.39Å
190S47.8Very low64.8Low74 Ų74105.9 Ų105.952%0.51752%0.518SS..SBendtrans-68.414.3175.461.70000113.4Y192 R197S190-Y192 CarbonylContact O-C 3.52Å; S190-Y192 PolarHBondContact O-N 2.83Å; S190-R197 WeakPolarHBondContact CB-O 3.36Å
191T45Very low63.6Low89 Ų89107.9 Ų107.955%0.54653%0.527SS..  trans-62-2.1-171.433.60000115P189 K193P189-T191 HydrophobicContact CB-CG2 4.17Å; P189-T191 WeakPolarHBondContact CB-OG1 3.45Å; P189-T191 WeakPolarHBondContact CG-OG1 3.09Å; P189-T191 PolarHBondContact O-N 3.19Å; P189-T191 PolarHBondContact O-OG1 3.39Å; T191-K193 VanDerWaalsContact C-N 3.27Å; T191-K193 PolarHBondContact O-N 2.96Å
192Y50.8Low63Low96 Ų96106.8 Ų106.838%0.37652%0.521SS..SBendtrans-71.785.8160.3-56.8-69.8000109.4L21 Y26 S190 H194 H195L21-Y192 HydrophobicContact CB-CE1 4.14Å; L21-Y192 HydrophobicContact CD1-CE1 3.81Å; L21-Y192 WeakPolarHBondContact CD1-OH 3.4Å; L21-Y192 HydrophobicContact CD2-CE1 4.5Å; L21-Y192 HydrophobicContact CG-CE1 4.36Å; Y26-Y192 WeakPolarHBondContact CE1-OH 3.35Å; S190-Y192 CarbonylContact O-C 3.52Å; S190-Y192 PolarHBondContact O-N 2.83Å; Y192-H194 PolarHBondContact O-N 3.07Å; Y192-H195 PolarHBondContact O-N 3.18Å
193K45.1Very low62.9Low199 Ų199107.6 Ų107.687%0.86553%0.527SS*.THydrogen-bonded Turntrans-45.45.8-174.8-73.9-175.7176178.50118.7T191T191-K193 VanDerWaalsContact C-N 3.27Å; T191-K193 PolarHBondContact O-N 2.96Å
194H46.8Very low62.9Low169 Ų169101.4 Ų101.478%0.78250%0.499SS*.THydrogen-bonded Turntrans-113-6-178-69.1-67.8000115.8Y192Y192-H194 PolarHBondContact O-N 3.07Å
195H44.8Very low63.3Low143 Ų143100 Ų10066%0.66249%0.491SS*.  trans-144.1131.6169.9-75.1-68.9000111.3Y192 R197Y192-H195 PolarHBondContact O-N 3.18Å; H195-R197 HydrophobicContact CB-CG 4.27Å; H195-R197 PolarHBondContact O-N 2.96Å
196K45.4Very low64Low224 Ų22491.2 Ų91.297%0.97446%0.458SS*.  trans-68.152.5166.7-152.4-176.3-168.9-1740109.6
197R42Very low64.9Low193 Ų19390.8 Ų90.873%0.72846%0.457SS*.PPolyproline II helixtrans-78.8136.2174.2-94-176.5175.3176.7-1.5108.1S190 H195S190-R197 WeakPolarHBondContact CB-O 3.36Å; H195-R197 HydrophobicContact CB-CG 4.27Å; H195-R197 PolarHBondContact O-N 2.96Å
198E49.6Very low66.2Low175 Ų17587.2 Ų87.282%0.81844%0.435SS*.PPolyproline II helixtrans-48.7146.3165.2-66.1171.9161.400109.1V200E198-V200 PolarHBondContact O-N 3.2Å
199S54.4Low68Low68 Ų6886 Ų8648%0.47643%0.429SS..PPolyproline II helixtrans-47.6132.4169.1460000108.6
200V62.7Low70Confident82 Ų8283.1 Ų83.150%0.49741%0.41SS..EExtended strand (participates in β ladder)trans-92.4108.7173.3-179.70000106.2L188 E198 I202L188-V200 PolarHBondContact N-O 3.14Å; E198-V200 PolarHBondContact O-N 3.2Å; V200-I202 HydrophobicContact CG1-CG1 4.17Å; V200-I202 PolarHBondContact O-N 3.42Å
201D73.8Confident72.3Confident91 Ų9184.9 Ų84.949%0.48741%0.414SS..EExtended strand (participates in β ladder)trans-70.2113.6172.4-63.45.8000108
202I84.6Confident74.7Confident22 Ų2280.9 Ų80.911%0.11339%0.389CS..EExtended strand (participates in β ladder)trans-101.3120.8173-58.9-173.8000108.3F131 K160 F186 L188 V200 V204F131-I202 HydrophobicContact CE2-CG2 4.49Å; K160-I202 HydrophobicContact CD-CG2 4.41Å; K160-I202 HydrophobicContact CG-CG2 4.06Å; F186-I202 HydrophobicContact CB-CB 4.34Å; F186-I202 PolarHBondContact N-O 2.99Å; F186-I202 PolarHBondContact O-N 2.94Å; L188-I202 HydrophobicContact CD1-CD1 3.3Å; L188-I202 HydrophobicContact CD1-CG1 4.07Å; L188-I202 HydrophobicContact CG-CD1 3.87Å; L188-I202 HydrophobicContact CG-CG1 4.28Å; V200-I202 HydrophobicContact CG1-CG1 4.17Å; V200-I202 PolarHBondContact O-N 3.42Å; I202-V204 HydrophobicContact CB-CG2 4.45Å; I202-V204 HydrophobicContact CG2-CG2 3.8Å; I202-V204 PolarHBondContact O-N 2.9Å
203A92.3Very high76.3Confident54 Ų5478.6 Ų78.645%0.44640%0.395SS..EExtended strand (participates in β ladder)trans-72.4122.9168.600000109.6T161T161-A203 PolarHBondContact N-O 2.72Å; T161-A203 VanDerWaalsContact OG1-C 3.24Å; T161-A203 PolarHBondContact OG1-O 3.24Å
204V94.5Very high78.2Confident0 Ų077 Ų770%040%0.395CS..EExtended strand (participates in β ladder)trans-129.8127.2-175.8176.30000109.1F131 M158 H159 T161 L184 F186 I202F131-V204 HydrophobicContact CE1-CG1 4.23Å; F131-V204 HydrophobicContact CE1-CG2 4.3Å; F131-V204 HydrophobicContact CE2-CG2 4.08Å; F131-V204 HydrophobicContact CZ-CG1 4.1Å; F131-V204 HydrophobicContact CZ-CG2 3.59Å; M158-V204 HydrophobicContact CB-CG1 3.74Å; M158-V204 HydrophobicContact CG-CG1 4.42Å; H159-V204 CarbonylContact O-C 3.59Å; H159-V204 VanDerWaalsContact O-CA 3.31Å; H159-V204 WeakPolarHBondContact O-CA 3.42Å; H159-V204 WeakPolarHBondContact O-CG1 3.41Å; T161-V204 PolarHBondContact OG1-N 3.45Å; L184-V204 WeakPolarHBondContact CA-O 3.33Å; L184-V204 HydrophobicContact CB-CB 4.47Å; L184-V204 WeakPolarHBondContact CB-O 3.39Å; L184-V204 PolarHBondContact N-O 3.43Å; L184-V204 PolarHBondContact O-N 3.26Å; F186-V204 HydrophobicContact CB-CG2 4.28Å; F186-V204 HydrophobicContact CD2-CB 3.6Å; F186-V204 HydrophobicContact CD2-CG1 4.09Å; F186-V204 HydrophobicContact CD2-CG2 3.42Å; F186-V204 VanDerWaalsContact CD2-CG2 3.42Å; F186-V204 HydrophobicContact CE2-CB 3.75Å; F186-V204 HydrophobicContact CE2-CG1 3.72Å; F186-V204 HydrophobicContact CE2-CG2 3.92Å; F186-V204 HydrophobicContact CG-CG2 3.99Å; I202-V204 HydrophobicContact CB-CG2 4.45Å; I202-V204 HydrophobicContact CG2-CG2 3.8Å; I202-V204 PolarHBondContact O-N 2.9Å
205D97.5Very high80.2Confident1 Ų173.1 Ų73.11%0.00537%0.374CS..EExtended strand (participates in β ladder)trans-83.6131.8170.9-64.8-10.5000110M158 H159 T161 R164 V180 A182 V207M158-D205 WeakPolarHBondContact CA-O 3.37Å; H159-D205 PolarHBondContact N-O 3.48Å; H159-D205 PolarHBondContact O-N 3.06Å; T161-D205 WeakPolarHBondContact CB-OD1 3.4Å; T161-D205 WeakPolarHBondContact CG2-OD1 3.22Å; T161-D205 PolarHBondContact OG1-OD1 3.35Å; R164-D205 IonicContact CZ-OD1 2.69Å; R164-D205 IonicContact CZ-OD2 3Å; R164-D205 VanDerWaalsContact CZ-OD2 3.25Å; R164-D205 IonicContact NE-OD1 3.25Å; R164-D205 IonicContact NE-OD2 3.32Å; R164-D205 PolarHBondContact NE-OD2 3.29Å; R164-D205 IonicContact NH2-OD1 2.69Å; R164-D205 PolarHBondContact NH2-OD1 2.85Å; R164-D205 IonicContact NH2-OD2 3.72Å; R164-D205 PolarHBondContact NH2-OD2 2.93Å; V180-D205 HydrophobicContact CG1-CB 4.02Å; A182-D205 WeakPolarHBondContact O-CA 3.38Å; D205-V207 HydrophobicContact CB-CG2 3.69Å
206F98.2Very high82.4Confident9 Ų969.1 Ų69.14%0.03936%0.357CS..EExtended strand (participates in β ladder)trans-88.6118.7160.4-176-128.5000108.8A36 V40 F156 M158 L181 A182 L184A36-F206 HydrophobicContact CB-CD1 4.22Å; A36-F206 HydrophobicContact CB-CD2 4.3Å; A36-F206 HydrophobicContact CB-CE1 3.86Å; A36-F206 HydrophobicContact CB-CE2 3.95Å; A36-F206 HydrophobicContact CB-CG 4.44Å; A36-F206 HydrophobicContact CB-CZ 3.72Å; V40-F206 HydrophobicContact CG2-CE1 4.27Å; V40-F206 HydrophobicContact CG2-CZ 3.78Å; F156-F206 HydrophobicContact CB-CE2 3.74Å; F156-F206 HydrophobicContact CB-CZ 3.75Å; F156-F206 HydrophobicContact CD1-CE1 4.07Å; F156-F206 HydrophobicContact CD1-CE2 4.31Å; F156-F206 AromaticContact CD1-CZ 3.59Å; F156-F206 HydrophobicContact CD1-CZ 3.59Å; F156-F206 HydrophobicContact CG-CZ 4.05Å; M158-F206 HydrophobicContact CE-CD2 4.35Å; M158-F206 HydrophobicContact CG-CD2 4.1Å; L181-F206 HydrophobicContact CB-CD1 3.94Å; L181-F206 HydrophobicContact CD1-CD1 3.87Å; L181-F206 HydrophobicContact CD1-CE1 3.7Å; L181-F206 HydrophobicContact CG-CD1 4.46Å; L181-F206 PolarHBondContact N-O 3.07Å; A182-F206 HydrophobicContact CB-CB 4.33Å; A182-F206 PolarHBondContact N-O 3.03Å; A182-F206 PolarHBondContact O-N 3.3Å; L184-F206 HydrophobicContact CD1-CB 4Å
207V98.7Very high84.5Confident0 Ų059.6 Ų59.60%032%0.316CS..EExtended strand (participates in β ladder)trans-122.3137.2-167.8-173.30000110.2F156 S157 M178 E179 V180 D205 F209F156-V207 CarbonylContact C-O 3.59Å; F156-V207 VanDerWaalsContact CA-O 3.32Å; F156-V207 WeakPolarHBondContact CA-O 3.41Å; S157-V207 PolarHBondContact N-O 3.32Å; S157-V207 PolarHBondContact O-N 2.96Å; M178-V207 HydrophobicContact CE-CG1 3.64Å; M178-V207 HydrophobicContact CE-CG2 4.06Å; M178-V207 HydrophobicContact CG-CG1 3.43Å; M178-V207 VanDerWaalsContact CG-CG1 3.43Å; M178-V207 HydrophobicContact SD-CG1 4.3Å; E179-V207 CarbonylContact O-C 3.51Å; E179-V207 VanDerWaalsContact O-CA 3.29Å; E179-V207 WeakPolarHBondContact O-CA 3.46Å; E179-V207 WeakPolarHBondContact O-CG1 3.5Å; V180-V207 HydrophobicContact CG2-CG2 4.35Å; D205-V207 HydrophobicContact CB-CG2 3.69Å; V207-F209 HydrophobicContact CB-CE2 4Å; V207-F209 HydrophobicContact CB-CZ 4.31Å; V207-F209 HydrophobicContact CG1-CD2 4.18Å; V207-F209 HydrophobicContact CG1-CE1 4.15Å; V207-F209 HydrophobicContact CG1-CE2 3.63Å; V207-F209 HydrophobicContact CG1-CZ 3.63Å
208R98.7Very high86.3Confident36 Ų3652.1 Ų52.114%0.13630%0.299CS..EExtended strand (participates in β ladder)trans-104.2126.7167.6-177.6176.8-179.9-100.11.5110.3E46 S154 V155 F156 M178 E179 L181 S210E46-R208 IonicContact OE1-CZ 3.24Å; E46-R208 IonicContact OE1-NE 3.86Å; E46-R208 IonicContact OE1-NH2 3.25Å; E46-R208 PolarHBondContact OE1-NH2 3.46Å; E46-R208 IonicContact OE2-CZ 2.7Å; E46-R208 IonicContact OE2-NE 3.91Å; E46-R208 PolarHBondContact OE2-NE 3.25Å; E46-R208 IonicContact OE2-NH2 3.8Å; S154-R208 PolarHBondContact OG-NE 2.96Å; S154-R208 PolarHBondContact OG-NH2 3.27Å; S154-R208 VanDerWaalsContact OG-NH2 3.07Å; V155-R208 CarbonylContact O-C 3.58Å; V155-R208 WeakPolarHBondContact O-CA 3.37Å; F156-R208 HydrophobicContact CD1-CB 3.91Å; F156-R208 HydrophobicContact CD1-CG 4.07Å; F156-R208 HydrophobicContact CE1-CB 3.73Å; F156-R208 VanDerWaalsContact CE1-CD 3.48Å; F156-R208 HydrophobicContact CE1-CG 3.58Å; F156-R208 HydrophobicContact CE2-CG 4.42Å; F156-R208 HydrophobicContact CZ-CB 4.43Å; F156-R208 VanDerWaalsContact CZ-CD 3.5Å; F156-R208 HydrophobicContact CZ-CG 3.77Å; M178-R208 CarbonylContact C-O 3.56Å; M178-R208 WeakPolarHBondContact CA-O 3.43Å; E179-R208 PolarHBondContact N-O 3.44Å; E179-R208 PolarHBondContact O-N 2.88Å; L181-R208 HydrophobicContact CD1-CB 3.82Å; L181-R208 HydrophobicContact CD2-CB 4.29Å; L181-R208 HydrophobicContact CG-CB 4.1Å; R208-S210 PolarHBondContact NH1-OG 3.5Å
209F98.8Very high86.9Confident0 Ų054.2 Ų54.20%031%0.308CS..EExtended strand (participates in β ladder)trans-104.6132.5167.4-55.9-91.5000109.4L144 S154 V155 H159 I167 I176 S177 M178 V207 L212L144-F209 HydrophobicContact CD1-CD1 4.34Å; L144-F209 HydrophobicContact CD1-CD2 3.52Å; L144-F209 HydrophobicContact CD1-CE1 4.27Å; L144-F209 HydrophobicContact CD1-CE2 3.44Å; L144-F209 VanDerWaalsContact CD1-CE2 3.44Å; L144-F209 HydrophobicContact CD1-CG 3.97Å; L144-F209 HydrophobicContact CD1-CZ 3.83Å; L144-F209 HydrophobicContact CD2-CD1 4.4Å; L144-F209 HydrophobicContact CD2-CE1 3.71Å; L144-F209 HydrophobicContact CD2-CE2 3.97Å; L144-F209 HydrophobicContact CD2-CZ 3.45Å; L144-F209 VanDerWaalsContact CD2-CZ 3.45Å; L144-F209 HydrophobicContact CG-CE2 4.38Å; L144-F209 HydrophobicContact CG-CZ 4.31Å; S154-F209 CarbonylContact C-O 3.53Å; S154-F209 VanDerWaalsContact CA-O 3.23Å; S154-F209 WeakPolarHBondContact CA-O 3.41Å; V155-F209 HydrophobicContact CB-CB 4.24Å; V155-F209 HydrophobicContact CB-CD2 4.33Å; V155-F209 HydrophobicContact CG1-CD2 4.5Å; V155-F209 PolarHBondContact N-O 3.02Å; V155-F209 PolarHBondContact O-N 2.63Å; H159-F209 AromaticContact NE2-CE2 3.98Å; I167-F209 HydrophobicContact CG2-CE1 3.66Å; I167-F209 HydrophobicContact CG2-CZ 3.54Å; I176-F209 HydrophobicContact CD1-CB 4.38Å; I176-F209 HydrophobicContact CD1-CD1 3.97Å; S177-F209 CarbonylContact O-C 3.58Å; S177-F209 WeakPolarHBondContact O-CA 3.48Å; M178-F209 HydrophobicContact CB-CD1 3.99Å; M178-F209 HydrophobicContact CB-CE1 3.99Å; M178-F209 HydrophobicContact CG-CD1 4.07Å; M178-F209 HydrophobicContact CG-CE1 3.65Å; M178-F209 HydrophobicContact CG-CZ 4.25Å; M178-F209 HydrophobicContact SD-CE1 4.11Å; V207-F209 HydrophobicContact CB-CE2 4Å; V207-F209 HydrophobicContact CB-CZ 4.31Å; V207-F209 HydrophobicContact CG1-CD2 4.18Å; V207-F209 HydrophobicContact CG1-CE1 4.15Å; V207-F209 HydrophobicContact CG1-CE2 3.63Å; V207-F209 HydrophobicContact CG1-CZ 3.63Å; F209-L212 HydrophobicContact CB-CD2 4.48Å
210S98.2Very high88.5Confident20 Ų2053.6 Ų53.614%0.1430%0.3CS..EExtended strand (participates in β ladder)trans-147.1-173.9-177.7630000110.7S177 R208 L212S177-S210 WeakPolarHBondContact CB-OG 3.41Å; S177-S210 PolarHBondContact N-O 3.07Å; S177-S210 PolarHBondContact O-N 3.49Å; R208-S210 PolarHBondContact NH1-OG 3.5Å; S210-L212 PolarHBondContact O-N 3.32Å
211N96.6Very high89.8Confident112 Ų11252.1 Ų52.160%0.59929%0.29SS*.  trans5542.5-169.7-170.838.3000111.2G213N211-G213 VanDerWaalsContact C-N 3.32Å
212L95.9Very high90.7Very high5 Ų549.9 Ų49.93%0.02628%0.279CS..  trans-70.3-31.6-177.3-54.2-176.6000111.2I148 A151 Q153 V155 I176 F209 S210 D214 R215I148-L212 HydrophobicContact CG1-CD2 4.12Å; I148-L212 HydrophobicContact CG2-CD2 4.16Å; A151-L212 HydrophobicContact CB-CD1 3.66Å; Q153-L212 WeakPolarHBondContact O-CG 3.41Å; V155-L212 HydrophobicContact CG2-CD1 4.09Å; I176-L212 HydrophobicContact CB-CD2 4.4Å; I176-L212 HydrophobicContact CD1-CD2 4.45Å; I176-L212 HydrophobicContact CG2-CD2 4.15Å; F209-L212 HydrophobicContact CB-CD2 4.48Å; S210-L212 PolarHBondContact O-N 3.32Å; L212-D214 PolarHBondContact O-N 2.8Å; L212-R215 WeakPolarHBondContact O-CA 3.11Å; L212-R215 WeakPolarHBondContact O-CB 3.4Å; L212-R215 PolarHBondContact O-N 2.98Å
213G83.2Confident91.1Very high48 Ų4851.5 Ų51.550%0.49529%0.289SS..THydrogen-bonded Turntrans47.4-137.8-177.900000112N211 R215N211-G213 VanDerWaalsContact C-N 3.32Å; G213-R215 PolarHBondContact O-N 3.4Å
214D85Confident91Very high164 Ų16451.4 Ų51.488%0.87728%0.279SS*.THydrogen-bonded Turntrans-85.117.1173.6-57.4-39.9000113L212 L216L212-D214 PolarHBondContact O-N 2.8Å; D214-L216 PolarHBondContact O-N 3.32Å; D214-L216 VanDerWaalsContact O-N 3.1Å
215R89.1Confident90.8Very high88 Ų8854.8 Ų54.833%0.33230%0.297SS..  trans-61120.3179.2179.362.166.1-161.20.9109.3K120 I148 W174 I176 L212 G213 F217K120-R215 WeakPolarHBondContact CE-O 3.3Å; K120-R215 PolarHBondContact NZ-O 3.21Å; I148-R215 HydrophobicContact CG2-CB 4.35Å; I148-R215 HydrophobicContact CG2-CG 3.89Å; W174-R215 VanDerWaalsContact O-CZ 3.24Å; W174-R215 PolarHBondContact O-NE 3.26Å; W174-R215 PolarHBondContact O-NH2 2.94Å; I176-R215 HydrophobicContact CG2-CG 4.42Å; L212-R215 WeakPolarHBondContact O-CA 3.11Å; L212-R215 WeakPolarHBondContact O-CB 3.4Å; L212-R215 PolarHBondContact O-N 2.98Å; G213-R215 PolarHBondContact O-N 3.4Å; R215-F217 HydrophobicContact CG-CE2 4.21Å; R215-F217 HydrophobicContact CG-CZ 4.31Å
216L90.6Very high90.3Very high60 Ų6058.6 Ų58.631%0.31432%0.318SS..  trans-130.4142.3167.5-64171000108.5P114 C119 K120 N149 D214P114-L216 HydrophobicContact CB-CB 3.87Å; P114-L216 HydrophobicContact CB-CD1 4.38Å; C119-L216 HydrophobicContact CB-CD2 4.06Å; K120-L216 HydrophobicContact CD-CD2 4.49Å; K120-L216 HydrophobicContact CG-CD2 4.47Å; N149-L216 HydrophobicContact CB-CD2 4.26Å; N149-L216 VanDerWaalsContact OD1-CA 3.25Å; N149-L216 WeakPolarHBondContact OD1-CA 3.49Å; D214-L216 PolarHBondContact O-N 3.32Å; D214-L216 VanDerWaalsContact O-N 3.1Å
217F90.9Very high89.7Confident23 Ų2362.5 Ų62.510%0.10134%0.34CS..  trans-96.9135.7172.2-66-78.9000110.2A111 P114 K145 I148 N149 W174 R215A111-F217 WeakPolarHBondContact O-CB 3.43Å; P114-F217 WeakPolarHBondContact CD-O 3.44Å; K145-F217 HydrophobicContact CB-CB 4.19Å; K145-F217 HydrophobicContact CB-CD2 3.67Å; K145-F217 HydrophobicContact CB-CE2 4.19Å; K145-F217 HydrophobicContact CB-CG 3.92Å; K145-F217 HydrophobicContact CD-CB 4.35Å; K145-F217 HydrophobicContact CD-CD1 4.2Å; K145-F217 HydrophobicContact CD-CG 4.14Å; K145-F217 HydrophobicContact CG-CB 4.32Å; K145-F217 HydrophobicContact CG-CD1 3.96Å; K145-F217 HydrophobicContact CG-CD2 3.75Å; K145-F217 HydrophobicContact CG-CE1 4.2Å; K145-F217 HydrophobicContact CG-CE2 3.98Å; K145-F217 HydrophobicContact CG-CG 3.73Å; K145-F217 HydrophobicContact CG-CZ 4.21Å; I148-F217 HydrophobicContact CB-CD2 4.24Å; I148-F217 HydrophobicContact CB-CE2 3.75Å; I148-F217 HydrophobicContact CD1-CE2 3.63Å; I148-F217 HydrophobicContact CD1-CZ 4.14Å; I148-F217 HydrophobicContact CG1-CE2 4.3Å; I148-F217 HydrophobicContact CG2-CD2 4.15Å; I148-F217 HydrophobicContact CG2-CE2 3.6Å; N149-F217 PolarHBondContact ND2-O 3.32Å; N149-F217 PolarHBondContact OD1-N 3.23Å; W174-F217 HydrophobicContact CB-CE1 4.49Å; W174-F217 HydrophobicContact CB-CZ 4.16Å; W174-F217 AromaticContact CD1-CE1 3.72Å; W174-F217 AromaticContact CD2-CE1 3.7Å; W174-F217 HydrophobicContact CD2-CE1 3.7Å; W174-F217 AromaticContact CD2-CZ 3.42Å; W174-F217 HydrophobicContact CD2-CZ 3.42Å; W174-F217 VanDerWaalsContact CD2-CZ 3.42Å; W174-F217 AromaticContact CE2-CE1 3.62Å; W174-F217 AromaticContact CE2-CZ 3.77Å; W174-F217 HydrophobicContact CE3-CE1 4.34Å; W174-F217 AromaticContact CE3-CZ 3.64Å; W174-F217 HydrophobicContact CE3-CZ 3.64Å; W174-F217 AromaticContact CG-CE1 3.74Å; W174-F217 HydrophobicContact CG-CE1 3.74Å; W174-F217 AromaticContact CG-CZ 3.66Å; W174-F217 HydrophobicContact CG-CZ 3.66Å; W174-F217 HydrophobicContact CH2-CZ 4.37Å; W174-F217 HydrophobicContact CZ2-CE1 4.16Å; W174-F217 HydrophobicContact CZ2-CZ 4.25Å; W174-F217 HydrophobicContact CZ3-CZ 4.11Å; W174-F217 AromaticContact NE1-CE1 3.65Å; R215-F217 HydrophobicContact CG-CE2 4.21Å; R215-F217 HydrophobicContact CG-CZ 4.31Å
218G79.7Confident89Confident37 Ų3767.7 Ų67.738%0.38137%0.368SS..  trans135.2168.2167.300000112.8D112D112-G218 WeakPolarHBondContact OD1-CA 3.48Å
219H60.7Low88.1Confident219 Ų21970.5 Ų70.5100%1.01439%0.389SS*.  trans-79.80-173.2-67.9-66.1000114.7D112D112-H219 IonicContact OD1-CD2 2.72Å; D112-H219 PolarHBondContact OD1-N 3.31Å; D112-H219 VanDerWaalsContact OD1-N 3.13Å

Retrieved 219 of 219 residues in 172.8 ms (Link to these results)

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