| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.9 | Low | 76.9 | Confident | 194 Ų | 194 | 123 Ų | 123 | 96% | 0.956 | 62% | 0.623 | S | S | * | * | 0 | 136.5 | 0 | -78.9 | 160.5 | 166.4 | 0 | 0 | 105.9 | |||||
| 2 | G | 53.7 | Low | 78 | Confident | 46 Ų | 46 | 119.6 Ų | 119.6 | 47% | 0.474 | 61% | 0.607 | S | S | . | * | trans | -79.6 | 147.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | E4 E5 | G2-E4 PolarHBondContact O-N 3.25Å; G2-E5 WeakPolarHBondContact O-CB 3.36Å; G2-E5 PolarHBondContact O-N 3.1Å | ||
| 3 | E | 55.8 | Low | 79 | Confident | 186 Ų | 186 | 118.3 Ų | 118.3 | 87% | 0.869 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | -19.7 | 177 | -66.9 | 176.9 | 164.1 | 0 | 0 | 113.8 | ||
| 4 | E | 70.9 | Confident | 79.9 | Confident | 174 Ų | 174 | 115.4 Ų | 115.4 | 81% | 0.813 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -27.4 | 175.7 | -67.4 | -172.3 | 153.1 | 0 | 0 | 114.2 | G2 | G2-E4 PolarHBondContact O-N 3.25Š|
| 5 | E | 73.8 | Confident | 80.5 | Confident | 104 Ų | 104 | 111.5 Ų | 111.5 | 49% | 0.486 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.5 | -34.3 | -175.6 | -160.3 | 168.7 | -165 | 0 | 0 | 111.2 | G2 | G2-E5 WeakPolarHBondContact O-CB 3.36Å; G2-E5 PolarHBondContact O-N 3.1Å |
| 6 | E | 87.3 | Confident | 81.1 | Confident | 113 Ų | 113 | 106.7 Ų | 106.7 | 53% | 0.528 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -93.1 | -2.8 | -176.9 | -61.8 | 174.5 | -172.2 | 0 | 0 | 112.9 | Y8 D9 | E6-Y8 PolarHBondContact O-N 3.44Å; E6-D9 WeakPolarHBondContact O-CB 3.36Å; E6-D9 PolarHBondContact O-N 3.05Å |
| 7 | K | 91.1 | Very high | 81.7 | Confident | 142 Ų | 142 | 108.8 Ų | 108.8 | 62% | 0.617 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -33.9 | -172.8 | -179.4 | -179.4 | 178 | -176 | 0 | 113.7 | ||
| 8 | Y | 89.9 | Confident | 82.2 | Confident | 131 Ų | 131 | 111.1 Ų | 111.1 | 51% | 0.514 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.2 | -0.1 | -177.3 | -59.3 | -65.9 | 0 | 0 | 0 | 113.4 | E6 G10 M11 L12 | E6-Y8 PolarHBondContact O-N 3.44Å; Y8-G10 VanDerWaalsContact C-N 3.34Å; Y8-G10 PolarHBondContact O-N 3.26Å; Y8-M11 HydrophobicContact CD1-CE 4.25Å; Y8-M11 PolarHBondContact O-N 3.15Å; Y8-M11 VanDerWaalsContact O-N 3.11Å; Y8-L12 WeakPolarHBondContact O-CG 3.42Å; Y8-L12 PolarHBondContact O-N 3.03Å |
| 9 | D | 90.5 | Very high | 82.6 | Confident | 82 Ų | 82 | 106.6 Ų | 106.6 | 44% | 0.439 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | -173.4 | -75.1 | 4.9 | 0 | 0 | 0 | 111.7 | E6 M11 L12 L13 | E6-D9 WeakPolarHBondContact O-CB 3.36Å; E6-D9 PolarHBondContact O-N 3.05Å; D9-M11 VanDerWaalsContact C-N 3.3Å; D9-M11 PolarHBondContact O-N 2.87Å; D9-L12 PolarHBondContact O-N 2.89Å; D9-L13 WeakPolarHBondContact O-CB 3.4Å; D9-L13 PolarHBondContact O-N 2.86Å |
| 10 | G | 90 | Very high | 82.8 | Confident | 50 Ų | 50 | 111.3 Ų | 111.3 | 52% | 0.515 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58.5 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y8 V14 | Y8-G10 VanDerWaalsContact C-N 3.34Å; Y8-G10 PolarHBondContact O-N 3.26Å; G10-V14 VanDerWaalsContact O-CG2 3.29Å; G10-V14 WeakPolarHBondContact O-CG2 3.38Å; G10-V14 PolarHBondContact O-N 2.81Å; G10-V14 VanDerWaalsContact O-N 3.15Å |
| 11 | M | 90.6 | Very high | 83 | Confident | 131 Ų | 131 | 108.3 Ų | 108.3 | 65% | 0.645 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.4 | -42 | 177.7 | -175 | 176.6 | 67.8 | 0 | 0 | 111.6 | Y8 D9 L13 M15 | Y8-M11 HydrophobicContact CD1-CE 4.25Å; Y8-M11 PolarHBondContact O-N 3.15Å; Y8-M11 VanDerWaalsContact O-N 3.11Å; D9-M11 VanDerWaalsContact C-N 3.3Å; D9-M11 PolarHBondContact O-N 2.87Å; M11-L13 VanDerWaalsContact C-N 3.34Å; M11-M15 WeakPolarHBondContact O-CB 3.48Å; M11-M15 PolarHBondContact O-N 3.34Å; M11-M15 VanDerWaalsContact O-N 3.09Å |
| 12 | L | 90.6 | Very high | 84.8 | Confident | 82 Ų | 82 | 100.8 Ų | 100.8 | 43% | 0.429 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 178.4 | -69 | 172.4 | 0 | 0 | 0 | 111.9 | Y8 D9 M15 A16 | Y8-L12 WeakPolarHBondContact O-CG 3.42Å; Y8-L12 PolarHBondContact O-N 3.03Å; D9-L12 PolarHBondContact O-N 2.89Å; L12-M15 PolarHBondContact O-N 2.83Å; L12-A16 WeakPolarHBondContact O-CB 3.06Å; L12-A16 PolarHBondContact O-N 2.95Å |
| 13 | L | 90.4 | Very high | 86.5 | Confident | 103 Ų | 103 | 103.9 Ų | 103.9 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.6 | -45 | 178.7 | -169.5 | 70.3 | 0 | 0 | 0 | 111.4 | D9 M11 M15 A16 Q17 | D9-L13 WeakPolarHBondContact O-CB 3.4Å; D9-L13 PolarHBondContact O-N 2.86Å; M11-L13 VanDerWaalsContact C-N 3.34Å; L13-M15 PolarHBondContact O-N 3.39Å; L13-A16 PolarHBondContact O-N 3Å; L13-A16 VanDerWaalsContact O-N 3.16Å; L13-Q17 WeakPolarHBondContact O-CG 3.34Å; L13-Q17 PolarHBondContact O-N 2.81Å |
| 14 | V | 91.4 | Very high | 88.1 | Confident | 78 Ų | 78 | 102.3 Ų | 102.3 | 47% | 0.473 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 173.2 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | G10 Q18 | G10-V14 VanDerWaalsContact O-CG2 3.29Å; G10-V14 WeakPolarHBondContact O-CG2 3.38Å; G10-V14 PolarHBondContact O-N 2.81Å; G10-V14 VanDerWaalsContact O-N 3.15Å; V14-Q18 WeakPolarHBondContact O-CG 3.37Å; V14-Q18 PolarHBondContact O-N 2.8Å |
| 15 | M | 89.4 | Confident | 89.2 | Confident | 56 Ų | 56 | 98.1 Ų | 98.1 | 28% | 0.276 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 175.4 | -168.8 | 178 | 173.3 | 0 | 0 | 110.8 | M11 L12 L13 Q17 Q18 H19 L26 T29 | M11-M15 WeakPolarHBondContact O-CB 3.48Å; M11-M15 PolarHBondContact O-N 3.34Å; M11-M15 VanDerWaalsContact O-N 3.09Å; L12-M15 PolarHBondContact O-N 2.83Å; L13-M15 PolarHBondContact O-N 3.39Å; M15-Q17 PolarHBondContact O-N 3.13Å; M15-Q18 PolarHBondContact O-N 3.41Å; M15-H19 PolarHBondContact O-CE1 2.87Å; M15-H19 PolarHBondContact O-ND1 2.81Å; M15-L26 HydrophobicContact CB-CD1 4.19Å; M15-L26 HydrophobicContact CE-CD1 3.95Å; M15-L26 HydrophobicContact CG-CD1 3.6Å; M15-L26 HydrophobicContact SD-CD1 3.9Å; M15-T29 HydrophobicContact CE-CG2 3.31Å |
| 16 | A | 90.3 | Very high | 90.1 | Very high | 35 Ų | 35 | 95 Ų | 95 | 29% | 0.289 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | L12 L13 Q18 H19 L26 | L12-A16 WeakPolarHBondContact O-CB 3.06Å; L12-A16 PolarHBondContact O-N 2.95Å; L13-A16 PolarHBondContact O-N 3Å; L13-A16 VanDerWaalsContact O-N 3.16Å; A16-Q18 PolarHBondContact O-N 2.91Å; A16-H19 PolarHBondContact O-N 3.04Å; A16-H19 VanDerWaalsContact O-N 3.15Å; A16-L26 HydrophobicContact CB-CD2 3.79Å |
| 17 | Q | 90.9 | Very high | 90.4 | Very high | 143 Ų | 143 | 92.7 Ų | 92.7 | 67% | 0.668 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.6 | -27.7 | 178.7 | -74.6 | 174.6 | -12.7 | 0 | 0 | 113.3 | L13 M15 H19 | L13-Q17 WeakPolarHBondContact O-CG 3.34Å; L13-Q17 PolarHBondContact O-N 2.81Å; M15-Q17 PolarHBondContact O-N 3.13Å; Q17-H19 VanDerWaalsContact C-N 3.31Å |
| 18 | Q | 91.1 | Very high | 90.6 | Very high | 150 Ų | 150 | 90.6 Ų | 90.6 | 70% | 0.701 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -8.5 | 178 | -69.7 | 179.8 | -0.7 | 0 | 0 | 113.7 | V14 M15 A16 | V14-Q18 WeakPolarHBondContact O-CG 3.37Å; V14-Q18 PolarHBondContact O-N 2.8Å; M15-Q18 PolarHBondContact O-N 3.41Å; A16-Q18 PolarHBondContact O-N 2.91Å |
| 19 | H | 90.6 | Very high | 90.8 | Very high | 25 Ų | 25 | 86.6 Ų | 86.6 | 12% | 0.116 | 48% | 0.481 | C | S | . | . | trans | -98.3 | 98.9 | 178.7 | -69.3 | 78.1 | 0 | 0 | 0 | 110 | M15 A16 Q17 G21 G22 E25 T29 | M15-H19 PolarHBondContact O-CE1 2.87Å; M15-H19 PolarHBondContact O-ND1 2.81Å; A16-H19 PolarHBondContact O-N 3.04Å; A16-H19 VanDerWaalsContact O-N 3.15Å; Q17-H19 VanDerWaalsContact C-N 3.31Å; H19-G21 PolarHBondContact O-N 2.78Å; H19-G22 PolarHBondContact O-N 2.73Å; H19-E25 HydrophobicContact CB-CB 4.22Å; H19-T29 PolarHBondContact CD2-OG1 3.14Å; H19-T29 VanDerWaalsContact NE2-CB 3.31Å; H19-T29 WeakPolarHBondContact NE2-CB 3.42Å; H19-T29 PolarHBondContact NE2-OG1 2.91Å | ||
| 20 | E | 85.5 | Confident | 91 | Very high | 200 Ų | 200 | 87.7 Ų | 87.7 | 94% | 0.935 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -26.4 | 178 | -64.5 | -177.4 | 178.3 | 0 | 0 | 112.3 | G22 | E20-G22 PolarHBondContact O-N 3.04Š|
| 21 | G | 86.8 | Confident | 91.3 | Very high | 50 Ų | 50 | 88.3 Ų | 88.3 | 52% | 0.515 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 7.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | H19 E25 | H19-G21 PolarHBondContact O-N 2.78Å; G21-E25 VanDerWaalsContact CA-OE2 3.29Å; G21-E25 WeakPolarHBondContact CA-OE2 3.29Å; G21-E25 PolarHBondContact N-OE2 3.1Å |
| 22 | G | 90.4 | Very high | 91.5 | Very high | 35 Ų | 35 | 83.8 Ų | 83.8 | 36% | 0.361 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | 66.9 | -152.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H19 E20 Q24 E25 L26 | H19-G22 PolarHBondContact O-N 2.73Å; E20-G22 PolarHBondContact O-N 3.04Å; G22-Q24 VanDerWaalsContact C-N 3.28Å; G22-Q24 PolarHBondContact O-N 2.8Å; G22-E25 PolarHBondContact O-N 2.89Å; G22-E25 VanDerWaalsContact O-N 3.16Å; G22-L26 PolarHBondContact O-N 3.25Å; G22-L26 VanDerWaalsContact O-N 3.16Å |
| 23 | V | 88.9 | Confident | 91.8 | Very high | 111 Ų | 111 | 84.8 Ų | 84.8 | 67% | 0.673 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.2 | -34.7 | -170.9 | 179.7 | 0 | 0 | 0 | 0 | 112.6 | E25 L26 V27 | V23-E25 VanDerWaalsContact C-N 3.32Å; V23-E25 PolarHBondContact O-N 2.83Å; V23-L26 PolarHBondContact O-N 2.79Å; V23-V27 HydrophobicContact CG1-CG2 4.13Å; V23-V27 WeakPolarHBondContact O-CB 3.48Å; V23-V27 VanDerWaalsContact O-CG2 3.25Å; V23-V27 WeakPolarHBondContact O-CG2 3.4Å; V23-V27 PolarHBondContact O-N 3.07Å |
| 24 | Q | 90.1 | Very high | 92 | Very high | 154 Ų | 154 | 80.9 Ų | 80.9 | 72% | 0.72 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.4 | -40.7 | 179.8 | -175.2 | 176.2 | -4.8 | 0 | 0 | 111.7 | G22 N28 | G22-Q24 VanDerWaalsContact C-N 3.28Å; G22-Q24 PolarHBondContact O-N 2.8Å; Q24-N28 PolarHBondContact O-N 2.52Å; Q24-N28 VanDerWaalsContact O-N 3.12Å; Q24-N28 PolarHBondContact O-ND2 2.85Å |
| 25 | E | 92.8 | Very high | 92.2 | Very high | 85 Ų | 85 | 85.1 Ų | 85.1 | 40% | 0.397 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -70.4 | -42.7 | 177.9 | -157.5 | -167.9 | 172 | 0 | 0 | 111.1 | H19 G21 G22 V23 V27 N28 T29 | H19-E25 HydrophobicContact CB-CB 4.22Å; G21-E25 VanDerWaalsContact CA-OE2 3.29Å; G21-E25 WeakPolarHBondContact CA-OE2 3.29Å; G21-E25 PolarHBondContact N-OE2 3.1Å; G22-E25 PolarHBondContact O-N 2.89Å; G22-E25 VanDerWaalsContact O-N 3.16Å; V23-E25 VanDerWaalsContact C-N 3.32Å; V23-E25 PolarHBondContact O-N 2.83Å; E25-V27 PolarHBondContact O-N 3.07Å; E25-N28 WeakPolarHBondContact O-CB 3.35Å; E25-N28 PolarHBondContact O-N 2.94Å; E25-T29 PolarHBondContact O-N 2.67Å; E25-T29 PolarHBondContact O-OG1 3.09Å; E25-T29 VanDerWaalsContact O-OG1 3.13Å |
| 26 | L | 93.6 | Very high | 92.5 | Very high | 38 Ų | 38 | 89.3 Ų | 89.3 | 20% | 0.199 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -56.4 | -47.9 | 175.4 | 179 | 65 | 0 | 0 | 0 | 112.1 | M15 A16 G22 V23 N28 T29 F30 | M15-L26 HydrophobicContact CB-CD1 4.19Å; M15-L26 HydrophobicContact CE-CD1 3.95Å; M15-L26 HydrophobicContact CG-CD1 3.6Å; M15-L26 HydrophobicContact SD-CD1 3.9Å; A16-L26 HydrophobicContact CB-CD2 3.79Å; G22-L26 PolarHBondContact O-N 3.25Å; G22-L26 VanDerWaalsContact O-N 3.16Å; V23-L26 PolarHBondContact O-N 2.79Å; L26-N28 VanDerWaalsContact C-N 3.34Å; L26-N28 PolarHBondContact O-N 2.73Å; L26-T29 PolarHBondContact O-N 3.27Å; L26-F30 PolarHBondContact O-N 2.79Å |
| 27 | V | 94.2 | Very high | 92.9 | Very high | 65 Ų | 65 | 95 Ų | 95 | 39% | 0.394 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 177.8 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | V23 E25 T29 F30 F31 | V23-V27 HydrophobicContact CG1-CG2 4.13Å; V23-V27 WeakPolarHBondContact O-CB 3.48Å; V23-V27 VanDerWaalsContact O-CG2 3.25Å; V23-V27 WeakPolarHBondContact O-CG2 3.4Å; V23-V27 PolarHBondContact O-N 3.07Å; E25-V27 PolarHBondContact O-N 3.07Å; V27-T29 PolarHBondContact O-N 3.05Å; V27-F30 PolarHBondContact O-N 2.78Å; V27-F31 HydrophobicContact CG1-CD2 3.71Å; V27-F31 HydrophobicContact CG1-CE2 3.54Å; V27-F31 VanDerWaalsContact O-CD2 3.28Å; V27-F31 WeakPolarHBondContact O-CD2 3.34Å; V27-F31 PolarHBondContact O-N 2.88Å |
| 28 | N | 94.3 | Very high | 93 | Very high | 99 Ų | 99 | 90.9 Ų | 90.9 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 175.4 | -82.3 | -27.5 | 0 | 0 | 0 | 111.9 | Q24 E25 L26 F30 F31 S32 | Q24-N28 PolarHBondContact O-N 2.52Å; Q24-N28 VanDerWaalsContact O-N 3.12Å; Q24-N28 PolarHBondContact O-ND2 2.85Å; E25-N28 WeakPolarHBondContact O-CB 3.35Å; E25-N28 PolarHBondContact O-N 2.94Å; L26-N28 VanDerWaalsContact C-N 3.34Å; L26-N28 PolarHBondContact O-N 2.73Å; N28-F30 VanDerWaalsContact C-N 3.29Å; N28-F30 PolarHBondContact O-N 3.03Å; N28-F31 PolarHBondContact O-N 3.36Å; N28-S32 WeakPolarHBondContact O-CB 3.38Å; N28-S32 PolarHBondContact O-N 3.47Å |
| 29 | T | 94.8 | Very high | 93.1 | Very high | 47 Ų | 47 | 89.3 Ų | 89.3 | 29% | 0.288 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 177.1 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | M15 H19 E25 L26 V27 S32 F33 | M15-T29 HydrophobicContact CE-CG2 3.31Å; H19-T29 PolarHBondContact CD2-OG1 3.14Å; H19-T29 VanDerWaalsContact NE2-CB 3.31Å; H19-T29 WeakPolarHBondContact NE2-CB 3.42Å; H19-T29 PolarHBondContact NE2-OG1 2.91Å; E25-T29 PolarHBondContact O-N 2.67Å; E25-T29 PolarHBondContact O-OG1 3.09Å; E25-T29 VanDerWaalsContact O-OG1 3.13Å; L26-T29 PolarHBondContact O-N 3.27Å; V27-T29 PolarHBondContact O-N 3.05Å; T29-S32 WeakPolarHBondContact O-CB 3.31Å; T29-S32 PolarHBondContact O-N 2.98Å; T29-F33 PolarHBondContact O-N 2.84Å |
| 30 | F | 94.8 | Very high | 93.3 | Very high | 105 Ų | 105 | 90.3 Ų | 90.3 | 46% | 0.461 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.6 | -50.6 | 176.2 | -170.7 | -102.1 | 0 | 0 | 0 | 112.3 | L26 V27 N28 S32 F33 L34 | L26-F30 PolarHBondContact O-N 2.79Å; V27-F30 PolarHBondContact O-N 2.78Å; N28-F30 VanDerWaalsContact C-N 3.29Å; N28-F30 PolarHBondContact O-N 3.03Å; F30-S32 VanDerWaalsContact C-N 3.27Å; F30-S32 PolarHBondContact O-N 2.97Å; F30-F33 WeakPolarHBondContact O-CB 3.24Å; F30-F33 PolarHBondContact O-N 2.83Å; F30-F33 VanDerWaalsContact O-N 3.16Å; F30-L34 HydrophobicContact CD1-CD1 3.92Å; F30-L34 HydrophobicContact CD1-CG 4.37Å; F30-L34 HydrophobicContact CE1-CD1 3.57Å; F30-L34 HydrophobicContact CE1-CG 4.14Å; F30-L34 HydrophobicContact CZ-CD1 4.3Å; F30-L34 WeakPolarHBondContact O-CG 3.3Å; F30-L34 PolarHBondContact O-N 2.64Å |
| 31 | F | 95.3 | Very high | 93.6 | Very high | 62 Ų | 62 | 85.8 Ų | 85.8 | 27% | 0.272 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.5 | -33.7 | 175.9 | -76.1 | -62.3 | 0 | 0 | 0 | 112.7 | V27 N28 F33 L34 R35 F40 F41 V53 | V27-F31 HydrophobicContact CG1-CD2 3.71Å; V27-F31 HydrophobicContact CG1-CE2 3.54Å; V27-F31 VanDerWaalsContact O-CD2 3.28Å; V27-F31 WeakPolarHBondContact O-CD2 3.34Å; V27-F31 PolarHBondContact O-N 2.88Å; N28-F31 PolarHBondContact O-N 3.36Å; F31-F33 VanDerWaalsContact C-N 3.34Å; F31-L34 HydrophobicContact CD1-CD1 4.19Å; F31-L34 PolarHBondContact O-N 2.95Å; F31-R35 WeakPolarHBondContact O-CB 3.35Å; F31-R35 PolarHBondContact O-N 3.14Å; F31-F40 HydrophobicContact CD1-CE1 4.35Å; F31-F40 HydrophobicContact CE1-CE1 4.16Å; F31-F41 HydrophobicContact CB-CZ 4.41Å; F31-F41 AromaticContact CD1-CZ 3.87Å; F31-F41 HydrophobicContact CD1-CZ 3.87Å; F31-V53 HydrophobicContact CE1-CG2 3.81Å; F31-V53 HydrophobicContact CZ-CG1 4.09Å; F31-V53 HydrophobicContact CZ-CG2 3.87Å |
| 32 | S | 95.8 | Very high | 93.8 | Very high | 37 Ų | 37 | 91 Ų | 91 | 26% | 0.259 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 175 | -164.1 | 0 | 0 | 0 | 0 | 111.3 | N28 T29 F30 R36 | N28-S32 WeakPolarHBondContact O-CB 3.38Å; N28-S32 PolarHBondContact O-N 3.47Å; T29-S32 WeakPolarHBondContact O-CB 3.31Å; T29-S32 PolarHBondContact O-N 2.98Å; F30-S32 VanDerWaalsContact C-N 3.27Å; F30-S32 PolarHBondContact O-N 2.97Å; S32-R36 WeakPolarHBondContact O-CG 3.41Å; S32-R36 PolarHBondContact O-N 2.9Å; S32-R36 PolarHBondContact O-NH1 3.16Å; S32-R36 PolarHBondContact OG-NH1 2.94Å |
| 33 | F | 96.2 | Very high | 93.6 | Very high | 102 Ų | 102 | 91.9 Ų | 91.9 | 45% | 0.447 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.6 | -51.8 | 171 | 167.4 | -94.7 | 0 | 0 | 0 | 111.6 | T29 F30 F31 R35 R36 K37 T38 | T29-F33 PolarHBondContact O-N 2.84Å; F30-F33 WeakPolarHBondContact O-CB 3.24Å; F30-F33 PolarHBondContact O-N 2.83Å; F30-F33 VanDerWaalsContact O-N 3.16Å; F31-F33 VanDerWaalsContact C-N 3.34Å; F33-R35 VanDerWaalsContact C-N 3.28Å; F33-R35 PolarHBondContact O-N 3.1Å; F33-R36 PolarHBondContact O-N 3.06Å; F33-K37 HydrophobicContact CD2-CB 4.09Å; F33-K37 HydrophobicContact CD2-CG 3.87Å; F33-K37 HydrophobicContact CE2-CB 3.74Å; F33-K37 HydrophobicContact CE2-CG 3.72Å; F33-K37 HydrophobicContact CZ-CB 3.97Å; F33-K37 HydrophobicContact CZ-CG 4.45Å; F33-K37 WeakPolarHBondContact O-CB 3.48Å; F33-K37 PolarHBondContact O-N 3.41Å; F33-T38 HydrophobicContact CE1-CG2 4.43Å |
| 34 | L | 95.4 | Very high | 93.5 | Very high | 22 Ų | 22 | 89.1 Ų | 89.1 | 12% | 0.115 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -55.3 | -45 | 179.5 | -69.7 | 179.8 | 0 | 0 | 0 | 111.2 | F30 F31 R36 T38 F40 F41 | F30-L34 HydrophobicContact CD1-CD1 3.92Å; F30-L34 HydrophobicContact CD1-CG 4.37Å; F30-L34 HydrophobicContact CE1-CD1 3.57Å; F30-L34 HydrophobicContact CE1-CG 4.14Å; F30-L34 HydrophobicContact CZ-CD1 4.3Å; F30-L34 WeakPolarHBondContact O-CG 3.3Å; F30-L34 PolarHBondContact O-N 2.64Å; F31-L34 HydrophobicContact CD1-CD1 4.19Å; F31-L34 PolarHBondContact O-N 2.95Å; L34-R36 VanDerWaalsContact C-N 3.28Å; L34-R36 PolarHBondContact O-N 2.93Å; L34-T38 WeakPolarHBondContact CA-OG1 3.26Å; L34-T38 HydrophobicContact CD2-CG2 3.91Å; L34-T38 WeakPolarHBondContact O-CB 3.19Å; L34-T38 PolarHBondContact O-N 2.85Å; L34-T38 PolarHBondContact O-OG1 3.32Å; L34-F40 HydrophobicContact CB-CB 4.13Å; L34-F40 HydrophobicContact CB-CD1 4.24Å; L34-F40 HydrophobicContact CB-CG 4.28Å; L34-F40 HydrophobicContact CD1-CD1 4.01Å; L34-F40 HydrophobicContact CD1-CD2 4.28Å; L34-F40 HydrophobicContact CD1-CE1 4.16Å; L34-F40 HydrophobicContact CD1-CE2 4.43Å; L34-F40 HydrophobicContact CD1-CG 4.06Å; L34-F40 HydrophobicContact CD1-CZ 4.38Å; L34-F41 HydrophobicContact CB-CE2 4.26Å |
| 35 | R | 95.1 | Very high | 93.5 | Very high | 166 Ų | 166 | 88.7 Ų | 88.7 | 63% | 0.626 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -58.7 | -36.3 | 176.9 | -169.6 | -165.6 | 70.3 | -164.2 | 0.4 | 113.5 | F31 F33 F41 | F31-R35 WeakPolarHBondContact O-CB 3.35Å; F31-R35 PolarHBondContact O-N 3.14Å; F33-R35 VanDerWaalsContact C-N 3.28Å; F33-R35 PolarHBondContact O-N 3.1Å; R35-F41 HydrophobicContact CB-CD2 3.91Å; R35-F41 HydrophobicContact CB-CE2 3.74Å; R35-F41 HydrophobicContact CG-CD2 4.22Å; R35-F41 HydrophobicContact CG-CE2 4.41Å |
| 36 | R | 96.2 | Very high | 93.3 | Very high | 144 Ų | 144 | 94.5 Ų | 94.5 | 54% | 0.543 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -90.7 | -30 | -174.1 | -72.7 | -166.7 | -57.2 | -81.3 | 1.4 | 114 | S32 F33 L34 | S32-R36 WeakPolarHBondContact O-CG 3.41Å; S32-R36 PolarHBondContact O-N 2.9Å; S32-R36 PolarHBondContact O-NH1 3.16Å; S32-R36 PolarHBondContact OG-NH1 2.94Å; F33-R36 PolarHBondContact O-N 3.06Å; L34-R36 VanDerWaalsContact C-N 3.28Å; L34-R36 PolarHBondContact O-N 2.93Å |
| 37 | K | 96.9 | Very high | 93.1 | Very high | 154 Ų | 154 | 94.8 Ų | 94.8 | 67% | 0.67 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -119.2 | -4.5 | -165.9 | -64.7 | -61.2 | -172 | 178.2 | 0 | 113.6 | F33 | F33-K37 HydrophobicContact CD2-CB 4.09Å; F33-K37 HydrophobicContact CD2-CG 3.87Å; F33-K37 HydrophobicContact CE2-CB 3.74Å; F33-K37 HydrophobicContact CE2-CG 3.72Å; F33-K37 HydrophobicContact CZ-CB 3.97Å; F33-K37 HydrophobicContact CZ-CG 4.45Å; F33-K37 WeakPolarHBondContact O-CB 3.48Å; F33-K37 PolarHBondContact O-N 3.41Å |
| 38 | T | 94.6 | Very high | 93 | Very high | 57 Ų | 57 | 93.7 Ų | 93.7 | 35% | 0.35 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -135.8 | 167.4 | 179.7 | 75.1 | 0 | 0 | 0 | 0 | 110.1 | F33 L34 F40 | F33-T38 HydrophobicContact CE1-CG2 4.43Å; L34-T38 WeakPolarHBondContact CA-OG1 3.26Å; L34-T38 HydrophobicContact CD2-CG2 3.91Å; L34-T38 WeakPolarHBondContact O-CB 3.19Å; L34-T38 PolarHBondContact O-N 2.85Å; L34-T38 PolarHBondContact O-OG1 3.32Å; T38-F40 WeakPolarHBondContact OG1-CB 3.41Å; T38-F40 PolarHBondContact OG1-N 2.85Å |
| 39 | D | 93.3 | Very high | 92.8 | Very high | 118 Ų | 118 | 90 Ų | 90 | 63% | 0.631 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -86.3 | 10.4 | 170.9 | 61.2 | -18.5 | 0 | 0 | 0 | 112.7 | F41 I42 G43 | D39-F41 PolarHBondContact O-N 2.94Å; D39-I42 PolarHBondContact O-N 3.39Å; D39-G43 WeakPolarHBondContact O-CA 3.07Å; D39-G43 PolarHBondContact O-N 3.28Å |
| 40 | F | 93.7 | Very high | 92.8 | Very high | 45 Ų | 45 | 93.1 Ų | 93.1 | 20% | 0.197 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | -40.1 | -171.8 | -179.6 | -102.4 | 0 | 0 | 0 | 115.7 | F31 L34 T38 A49 L52 V53 | F31-F40 HydrophobicContact CD1-CE1 4.35Å; F31-F40 HydrophobicContact CE1-CE1 4.16Å; L34-F40 HydrophobicContact CB-CB 4.13Å; L34-F40 HydrophobicContact CB-CD1 4.24Å; L34-F40 HydrophobicContact CB-CG 4.28Å; L34-F40 HydrophobicContact CD1-CD1 4.01Å; L34-F40 HydrophobicContact CD1-CD2 4.28Å; L34-F40 HydrophobicContact CD1-CE1 4.16Å; L34-F40 HydrophobicContact CD1-CE2 4.43Å; L34-F40 HydrophobicContact CD1-CG 4.06Å; L34-F40 HydrophobicContact CD1-CZ 4.38Å; T38-F40 WeakPolarHBondContact OG1-CB 3.41Å; T38-F40 PolarHBondContact OG1-N 2.85Å; F40-A49 HydrophobicContact CD1-CB 4.18Å; F40-A49 HydrophobicContact CE1-CB 3.73Å; F40-A49 HydrophobicContact CE2-CB 4.4Å; F40-A49 HydrophobicContact CZ-CB 3.85Å; F40-A49 WeakPolarHBondContact O-CB 3.27Å; F40-L52 HydrophobicContact CE2-CD2 3.87Å; F40-V53 HydrophobicContact CZ-CG2 3.87Å |
| 41 | F | 91.9 | Very high | 92.7 | Very high | 106 Ų | 106 | 94.6 Ų | 94.6 | 47% | 0.465 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -12.1 | -178.3 | -64.5 | -79.3 | 0 | 0 | 0 | 114.9 | F31 L34 R35 D39 A49 | F31-F41 HydrophobicContact CB-CZ 4.41Å; F31-F41 AromaticContact CD1-CZ 3.87Å; F31-F41 HydrophobicContact CD1-CZ 3.87Å; L34-F41 HydrophobicContact CB-CE2 4.26Å; R35-F41 HydrophobicContact CB-CD2 3.91Å; R35-F41 HydrophobicContact CB-CE2 3.74Å; R35-F41 HydrophobicContact CG-CD2 4.22Å; R35-F41 HydrophobicContact CG-CE2 4.41Å; D39-F41 PolarHBondContact O-N 2.94Å; F41-A49 HydrophobicContact CD1-CB 4.5Å |
| 42 | I | 90.9 | Very high | 92.6 | Very high | 159 Ų | 159 | 96.8 Ų | 96.8 | 82% | 0.815 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.5 | -21.4 | -168.6 | -52.7 | 174.2 | 0 | 0 | 0 | 112.2 | D39 | D39-I42 PolarHBondContact O-N 3.39Š|
| 43 | G | 87.1 | Confident | 92.6 | Very high | 54 Ų | 54 | 97.7 Ų | 97.7 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -84.8 | -7.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | D39 | D39-G43 WeakPolarHBondContact O-CA 3.07Å; D39-G43 PolarHBondContact O-N 3.28Å |
| 44 | G | 86.9 | Confident | 92.5 | Very high | 52 Ų | 52 | 98.1 Ų | 98.1 | 54% | 0.536 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -121.7 | 177.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 45 | D | 89.7 | Confident | 92.5 | Very high | 145 Ų | 145 | 101.3 Ų | 101.3 | 78% | 0.775 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -59.4 | 154.3 | 174.5 | -65.2 | -37.9 | 0 | 0 | 0 | 111.9 | G47 A48 | D45-G47 PolarHBondContact O-N 2.79Å; D45-G47 VanDerWaalsContact O-N 3.08Å; D45-A48 WeakPolarHBondContact O-CB 3.36Å; D45-A48 PolarHBondContact O-N 2.83Å |
| 46 | Q | 88.6 | Confident | 92.5 | Very high | 208 Ų | 208 | 96.3 Ų | 96.3 | 97% | 0.972 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 118.5 | 179.6 | -168.8 | 173.7 | 1.6 | 0 | 0 | 110.6 | ||
| 47 | G | 89.9 | Confident | 92.4 | Very high | 43 Ų | 43 | 96 Ų | 96 | 44% | 0.443 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -1.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | D45 A49 E50 K51 | D45-G47 PolarHBondContact O-N 2.79Å; D45-G47 VanDerWaalsContact O-N 3.08Å; G47-A49 PolarHBondContact O-N 3.24Å; G47-E50 PolarHBondContact O-N 3.24Å; G47-K51 PolarHBondContact O-N 2.82Å |
| 48 | A | 91.4 | Very high | 92.3 | Very high | 42 Ų | 42 | 92.3 Ų | 92.3 | 35% | 0.347 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D45 E50 K51 L52 | D45-A48 WeakPolarHBondContact O-CB 3.36Å; D45-A48 PolarHBondContact O-N 2.83Å; A48-E50 PolarHBondContact O-N 3.02Å; A48-K51 PolarHBondContact O-N 2.86Å; A48-L52 PolarHBondContact O-N 3.12Å |
| 49 | A | 90.9 | Very high | 92.3 | Very high | 21 Ų | 21 | 94.8 Ų | 94.8 | 17% | 0.174 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F40 F41 G47 L52 V53 | F40-A49 HydrophobicContact CD1-CB 4.18Å; F40-A49 HydrophobicContact CE1-CB 3.73Å; F40-A49 HydrophobicContact CE2-CB 4.4Å; F40-A49 HydrophobicContact CZ-CB 3.85Å; F40-A49 WeakPolarHBondContact O-CB 3.27Å; F41-A49 HydrophobicContact CD1-CB 4.5Å; G47-A49 PolarHBondContact O-N 3.24Å; A49-L52 PolarHBondContact O-N 2.83Å; A49-V53 WeakPolarHBondContact O-CG2 3.25Å; A49-V53 PolarHBondContact O-N 2.92Å |
| 50 | E | 92.9 | Very high | 92.3 | Very high | 114 Ų | 114 | 94 Ų | 94 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 178.7 | -174.7 | -176.7 | 169.4 | 0 | 0 | 111.2 | G47 A48 L52 V53 K54 | G47-E50 PolarHBondContact O-N 3.24Å; A48-E50 PolarHBondContact O-N 3.02Å; E50-L52 PolarHBondContact O-N 2.87Å; E50-V53 PolarHBondContact O-N 2.74Å; E50-K54 HydrophobicContact CG-CD 4.37Å; E50-K54 WeakPolarHBondContact O-CG 3.44Å; E50-K54 PolarHBondContact O-N 2.95Å; E50-K54 WeakPolarHBondContact OE1-CE 3.45Å; E50-K54 IonicContact OE1-NZ 2.74Å; E50-K54 PolarHBondContact OE1-NZ 2.9Å |
| 51 | K | 93.9 | Very high | 92.3 | Very high | 136 Ų | 136 | 94 Ų | 94 | 59% | 0.591 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60 | -45.7 | 176.6 | -174.1 | -178.2 | 175.6 | -172.5 | 0 | 111.5 | G47 A48 V53 K54 D55 | G47-K51 PolarHBondContact O-N 2.82Å; A48-K51 PolarHBondContact O-N 2.86Å; K51-V53 VanDerWaalsContact C-N 3.34Å; K51-V53 PolarHBondContact O-N 2.97Å; K51-K54 PolarHBondContact O-N 2.83Å; K51-D55 WeakPolarHBondContact O-CB 3.14Å; K51-D55 VanDerWaalsContact O-CG 3.28Å; K51-D55 PolarHBondContact O-N 3.31Å |
| 52 | L | 93.6 | Very high | 92.4 | Very high | 108 Ų | 108 | 95.9 Ų | 95.9 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.6 | -44.8 | 179.3 | -171.7 | 74.7 | 0 | 0 | 0 | 112 | F40 A48 A49 E50 D55 S56 | F40-L52 HydrophobicContact CE2-CD2 3.87Å; A48-L52 PolarHBondContact O-N 3.12Å; A49-L52 PolarHBondContact O-N 2.83Å; E50-L52 PolarHBondContact O-N 2.87Å; L52-D55 PolarHBondContact O-N 2.91Å; L52-S56 WeakPolarHBondContact O-CB 3.48Å; L52-S56 PolarHBondContact O-N 2.81Å |
| 53 | V | 94.6 | Very high | 92.4 | Very high | 56 Ų | 56 | 92.1 Ų | 92.1 | 34% | 0.339 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 178.5 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | F31 F40 A49 E50 K51 S56 F57 | F31-V53 HydrophobicContact CE1-CG2 3.81Å; F31-V53 HydrophobicContact CZ-CG1 4.09Å; F31-V53 HydrophobicContact CZ-CG2 3.87Å; F40-V53 HydrophobicContact CZ-CG2 3.87Å; A49-V53 WeakPolarHBondContact O-CG2 3.25Å; A49-V53 PolarHBondContact O-N 2.92Å; E50-V53 PolarHBondContact O-N 2.74Å; K51-V53 VanDerWaalsContact C-N 3.34Å; K51-V53 PolarHBondContact O-N 2.97Å; V53-S56 PolarHBondContact O-N 2.84Å; V53-F57 VanDerWaalsContact O-CB 3.27Å; V53-F57 WeakPolarHBondContact O-CB 3.28Å; V53-F57 PolarHBondContact O-N 2.93Å |
| 54 | K | 95.3 | Very high | 92.6 | Very high | 110 Ų | 110 | 92.5 Ų | 92.5 | 48% | 0.478 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -47.1 | 178 | -74.9 | -179.4 | -176.4 | 171.7 | 0 | 112.1 | E50 K51 S56 F57 D58 | E50-K54 HydrophobicContact CG-CD 4.37Å; E50-K54 WeakPolarHBondContact O-CG 3.44Å; E50-K54 PolarHBondContact O-N 2.95Å; E50-K54 WeakPolarHBondContact OE1-CE 3.45Å; E50-K54 IonicContact OE1-NZ 2.74Å; E50-K54 PolarHBondContact OE1-NZ 2.9Å; K51-K54 PolarHBondContact O-N 2.83Å; K54-S56 VanDerWaalsContact C-N 3.33Å; K54-S56 PolarHBondContact O-N 3.33Å; K54-F57 PolarHBondContact O-N 3.21Å; K54-D58 WeakPolarHBondContact O-CB 3.3Å; K54-D58 PolarHBondContact O-N 2.98Å |
| 55 | D | 95.6 | Very high | 92.9 | Very high | 89 Ų | 89 | 95.5 Ų | 95.5 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | -179.5 | -71 | -14.1 | 0 | 0 | 0 | 111.1 | K51 L52 H59 | K51-D55 WeakPolarHBondContact O-CB 3.14Å; K51-D55 VanDerWaalsContact O-CG 3.28Å; K51-D55 PolarHBondContact O-N 3.31Å; L52-D55 PolarHBondContact O-N 2.91Å; D55-H59 WeakPolarHBondContact O-CB 3.23Å; D55-H59 PolarHBondContact O-N 3.32Å |
| 56 | S | 94 | Very high | 93.1 | Very high | 62 Ų | 62 | 94.6 Ų | 94.6 | 43% | 0.434 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.3 | -45 | 176 | -176 | 0 | 0 | 0 | 0 | 112 | L52 V53 K54 D58 H59 H60 | L52-S56 WeakPolarHBondContact O-CB 3.48Å; L52-S56 PolarHBondContact O-N 2.81Å; V53-S56 PolarHBondContact O-N 2.84Å; K54-S56 VanDerWaalsContact C-N 3.33Å; K54-S56 PolarHBondContact O-N 3.33Å; S56-D58 PolarHBondContact O-N 3.09Å; S56-H59 WeakPolarHBondContact O-CB 3.43Å; S56-H59 PolarHBondContact O-N 3.11Å; S56-H60 PolarHBondContact O-CD2 3.38Å; S56-H60 PolarHBondContact O-N 3.41Å; S56-H60 VanDerWaalsContact O-N 3.1Å |
| 57 | F | 94.9 | Very high | 93.1 | Very high | 136 Ų | 136 | 87.2 Ų | 87.2 | 60% | 0.596 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.4 | -48.7 | 175.3 | 173.2 | -95.7 | 0 | 0 | 0 | 111.8 | V53 K54 H59 H60 S61 | V53-F57 VanDerWaalsContact O-CB 3.27Å; V53-F57 WeakPolarHBondContact O-CB 3.28Å; V53-F57 PolarHBondContact O-N 2.93Å; K54-F57 PolarHBondContact O-N 3.21Å; F57-H59 VanDerWaalsContact C-N 3.28Å; F57-H59 PolarHBondContact O-N 3.15Å; F57-H60 PolarHBondContact O-N 3.37Å; F57-S61 WeakPolarHBondContact O-CB 3.37Å; F57-S61 PolarHBondContact O-N 2.82Å |
| 58 | D | 95.3 | Very high | 93.1 | Very high | 77 Ų | 77 | 90.4 Ų | 90.4 | 41% | 0.412 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.4 | -37.3 | -179.5 | -79.4 | -11.5 | 0 | 0 | 0 | 111.8 | K54 S56 K62 | K54-D58 WeakPolarHBondContact O-CB 3.3Å; K54-D58 PolarHBondContact O-N 2.98Å; S56-D58 PolarHBondContact O-N 3.09Å; D58-K62 WeakPolarHBondContact O-CB 3.27Å; D58-K62 WeakPolarHBondContact O-CD 3.39Å; D58-K62 VanDerWaalsContact O-CG 3.25Å; D58-K62 WeakPolarHBondContact O-CG 3.31Å; D58-K62 PolarHBondContact O-N 3.38Å; D58-K62 VanDerWaalsContact O-N 3.1Å |
| 59 | H | 94.7 | Very high | 93.1 | Very high | 110 Ų | 110 | 96.6 Ų | 96.6 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.6 | -55.2 | 175.4 | -179.6 | 70.5 | 0 | 0 | 0 | 111.6 | D55 S56 F57 S61 K62 L63 | D55-H59 WeakPolarHBondContact O-CB 3.23Å; D55-H59 PolarHBondContact O-N 3.32Å; S56-H59 WeakPolarHBondContact O-CB 3.43Å; S56-H59 PolarHBondContact O-N 3.11Å; F57-H59 VanDerWaalsContact C-N 3.28Å; F57-H59 PolarHBondContact O-N 3.15Å; H59-S61 PolarHBondContact O-N 3.26Å; H59-K62 PolarHBondContact O-N 2.89Å; H59-L63 PolarHBondContact O-N 3.45Å |
| 60 | H | 92.9 | Very high | 93.2 | Very high | 102 Ų | 102 | 100.4 Ų | 100.4 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.5 | -34.4 | -178.6 | -71.3 | -70.9 | 0 | 0 | 0 | 112.5 | S56 F57 K62 L63 A64 | S56-H60 PolarHBondContact O-CD2 3.38Å; S56-H60 PolarHBondContact O-N 3.41Å; S56-H60 VanDerWaalsContact O-N 3.1Å; F57-H60 PolarHBondContact O-N 3.37Å; H60-K62 PolarHBondContact O-N 3.16Å; H60-L63 PolarHBondContact O-N 3.15Å; H60-A64 WeakPolarHBondContact O-CB 3.42Å; H60-A64 PolarHBondContact O-N 3.43Å |
| 61 | S | 92.5 | Very high | 93 | Very high | 43 Ų | 43 | 101.4 Ų | 101.4 | 30% | 0.301 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 174 | -180 | 0 | 0 | 0 | 0 | 111.8 | F57 H59 L63 A64 L65 | F57-S61 WeakPolarHBondContact O-CB 3.37Å; F57-S61 PolarHBondContact O-N 2.82Å; H59-S61 PolarHBondContact O-N 3.26Å; S61-L63 PolarHBondContact O-N 3.31Å; S61-A64 PolarHBondContact O-N 2.68Å; S61-L65 WeakPolarHBondContact O-CB 3.15Å; S61-L65 WeakPolarHBondContact O-CG 3.46Å; S61-L65 PolarHBondContact O-N 3.34Å |
| 62 | K | 95 | Very high | 92.8 | Very high | 147 Ų | 147 | 99.9 Ų | 99.9 | 64% | 0.639 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.9 | -41.6 | 175.7 | -75.6 | 168.8 | -174.7 | 166.4 | 0 | 112.4 | D58 H59 H60 K66 | D58-K62 WeakPolarHBondContact O-CB 3.27Å; D58-K62 WeakPolarHBondContact O-CD 3.39Å; D58-K62 VanDerWaalsContact O-CG 3.25Å; D58-K62 WeakPolarHBondContact O-CG 3.31Å; D58-K62 PolarHBondContact O-N 3.38Å; D58-K62 VanDerWaalsContact O-N 3.1Å; H59-K62 PolarHBondContact O-N 2.89Å; H60-K62 PolarHBondContact O-N 3.16Å; K62-K66 VanDerWaalsContact O-CB 3.32Å; K62-K66 WeakPolarHBondContact O-CB 3.32Å; K62-K66 PolarHBondContact O-N 3.04Å |
| 63 | L | 91.5 | Very high | 92.8 | Very high | 80 Ų | 80 | 99.7 Ų | 99.7 | 42% | 0.419 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 177.1 | -69.6 | 174.7 | 0 | 0 | 0 | 111.4 | H59 H60 S61 L65 K66 A67 | H59-L63 PolarHBondContact O-N 3.45Å; H60-L63 PolarHBondContact O-N 3.15Å; S61-L63 PolarHBondContact O-N 3.31Å; L63-L65 PolarHBondContact O-N 3.21Å; L63-K66 PolarHBondContact O-N 2.82Å; L63-A67 WeakPolarHBondContact O-CB 3.36Å; L63-A67 PolarHBondContact O-N 3Å |
| 64 | A | 89.7 | Confident | 92.6 | Very high | 61 Ų | 61 | 103.5 Ų | 103.5 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | H60 S61 K66 A67 H68 | H60-A64 WeakPolarHBondContact O-CB 3.42Å; H60-A64 PolarHBondContact O-N 3.43Å; S61-A64 PolarHBondContact O-N 2.68Å; A64-K66 VanDerWaalsContact C-N 3.35Å; A64-K66 PolarHBondContact O-N 2.88Å; A64-A67 PolarHBondContact O-N 2.82Å; A64-H68 WeakPolarHBondContact O-CB 3.44Å; A64-H68 PolarHBondContact O-N 3.16Å |
| 65 | L | 92.9 | Very high | 92.3 | Very high | 116 Ų | 116 | 102.7 Ų | 102.7 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.8 | -39.1 | 177.7 | -71.8 | 173.1 | 0 | 0 | 0 | 112.4 | S61 L63 R69 | S61-L65 WeakPolarHBondContact O-CB 3.15Å; S61-L65 WeakPolarHBondContact O-CG 3.46Å; S61-L65 PolarHBondContact O-N 3.34Å; L63-L65 PolarHBondContact O-N 3.21Å; L65-R69 WeakPolarHBondContact O-CB 3.49Å; L65-R69 PolarHBondContact O-N 3.13Å |
| 66 | K | 94 | Very high | 92.1 | Very high | 126 Ų | 126 | 105.2 Ų | 105.2 | 55% | 0.548 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -49.5 | 175.8 | -177 | -179.6 | 172.3 | -174.6 | 0 | 111.1 | K62 L63 A64 H68 R69 E70 | K62-K66 VanDerWaalsContact O-CB 3.32Å; K62-K66 WeakPolarHBondContact O-CB 3.32Å; K62-K66 PolarHBondContact O-N 3.04Å; L63-K66 PolarHBondContact O-N 2.82Å; A64-K66 VanDerWaalsContact C-N 3.35Å; A64-K66 PolarHBondContact O-N 2.88Å; K66-H68 VanDerWaalsContact C-N 3.31Å; K66-H68 PolarHBondContact O-N 2.9Å; K66-R69 PolarHBondContact O-N 3.29Å; K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 IonicContact NZ-OE1 2.74Å; K66-E70 WeakPolarHBondContact O-CG 3.34Å; K66-E70 PolarHBondContact O-N 2.67Å |
| 67 | A | 90.4 | Very high | 92 | Very high | 53 Ų | 53 | 108.7 Ų | 108.7 | 44% | 0.438 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L63 A64 E70 K71 | L63-A67 WeakPolarHBondContact O-CB 3.36Å; L63-A67 PolarHBondContact O-N 3Å; A64-A67 PolarHBondContact O-N 2.82Å; A67-E70 PolarHBondContact O-N 3.02Å; A67-K71 WeakPolarHBondContact O-CB 3.32Å; A67-K71 PolarHBondContact O-N 3.24Å |
| 68 | H | 88.3 | Confident | 91.8 | Very high | 109 Ų | 109 | 107 Ų | 107 | 51% | 0.505 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 175.6 | -174.5 | -93.5 | 0 | 0 | 0 | 111.9 | A64 K66 E70 K71 Q72 | A64-H68 WeakPolarHBondContact O-CB 3.44Å; A64-H68 PolarHBondContact O-N 3.16Å; K66-H68 VanDerWaalsContact C-N 3.31Å; K66-H68 PolarHBondContact O-N 2.9Å; H68-E70 PolarHBondContact O-N 3.33Å; H68-K71 PolarHBondContact O-N 2.8Å; H68-Q72 PolarHBondContact CE1-NE2 3.24Å; H68-Q72 PolarHBondContact ND1-OE1 3.5Å; H68-Q72 WeakPolarHBondContact O-CG 3.43Å; H68-Q72 PolarHBondContact O-N 3.07Å |
| 69 | R | 93.1 | Very high | 91.6 | Very high | 172 Ų | 172 | 110.8 Ų | 110.8 | 65% | 0.649 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | 177.5 | -172.3 | -176.9 | -80.6 | 163.3 | -4.9 | 111.6 | L65 K66 K71 Q72 M73 | L65-R69 WeakPolarHBondContact O-CB 3.49Å; L65-R69 PolarHBondContact O-N 3.13Å; K66-R69 PolarHBondContact O-N 3.29Å; R69-K71 VanDerWaalsContact C-N 3.35Å; R69-K71 PolarHBondContact O-N 2.84Å; R69-Q72 PolarHBondContact O-N 3.07Å; R69-M73 HydrophobicContact CG-CE 3.97Å; R69-M73 HydrophobicContact CG-SD 4.35Å; R69-M73 WeakPolarHBondContact O-CG 3.25Å; R69-M73 PolarHBondContact O-N 2.77Å |
| 70 | E | 92.3 | Very high | 91.5 | Very high | 101 Ų | 101 | 112.8 Ų | 112.8 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 176.4 | -74.7 | 175 | -179.2 | 0 | 0 | 112 | K66 A67 H68 M73 K74 | K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 IonicContact NZ-OE1 2.74Å; K66-E70 WeakPolarHBondContact O-CG 3.34Å; K66-E70 PolarHBondContact O-N 2.67Å; A67-E70 PolarHBondContact O-N 3.02Å; H68-E70 PolarHBondContact O-N 3.33Å; E70-M73 HydrophobicContact CG-CE 4.15Å; E70-M73 PolarHBondContact O-N 3.15Å; E70-K74 WeakPolarHBondContact O-CB 3.3Å; E70-K74 PolarHBondContact O-N 2.92Å |
| 71 | K | 89.3 | Confident | 91.5 | Very high | 136 Ų | 136 | 111.8 Ų | 111.8 | 59% | 0.591 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.6 | -44 | 175.3 | -170.8 | 176.5 | -178.9 | 179.8 | 0 | 111.9 | A67 H68 R69 K74 Q75 | A67-K71 WeakPolarHBondContact O-CB 3.32Å; A67-K71 PolarHBondContact O-N 3.24Å; H68-K71 PolarHBondContact O-N 2.8Å; R69-K71 VanDerWaalsContact C-N 3.35Å; R69-K71 PolarHBondContact O-N 2.84Å; K71-K74 PolarHBondContact O-N 2.79Å; K71-Q75 WeakPolarHBondContact O-CG 3.44Å; K71-Q75 PolarHBondContact O-N 3.21Å |
| 72 | Q | 89.7 | Confident | 91.4 | Very high | 104 Ų | 104 | 117.6 Ų | 117.6 | 49% | 0.486 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 176.6 | -73.6 | -177 | -40.2 | 0 | 0 | 112 | H68 R69 K74 Q75 E76 | H68-Q72 PolarHBondContact CE1-NE2 3.24Å; H68-Q72 PolarHBondContact ND1-OE1 3.5Å; H68-Q72 WeakPolarHBondContact O-CG 3.43Å; H68-Q72 PolarHBondContact O-N 3.07Å; R69-Q72 PolarHBondContact O-N 3.07Å; Q72-K74 VanDerWaalsContact C-N 3.29Å; Q72-K74 PolarHBondContact O-N 3.14Å; Q72-Q75 PolarHBondContact O-N 2.74Å; Q72-E76 WeakPolarHBondContact O-CB 3.48Å; Q72-E76 PolarHBondContact O-N 3.08Å |
| 73 | M | 93 | Very high | 91.3 | Very high | 103 Ų | 103 | 113.2 Ų | 113.2 | 51% | 0.507 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 177.6 | -71.8 | -175.6 | -62.4 | 0 | 0 | 111.8 | R69 E70 E76 K77 | R69-M73 HydrophobicContact CG-CE 3.97Å; R69-M73 HydrophobicContact CG-SD 4.35Å; R69-M73 WeakPolarHBondContact O-CG 3.25Å; R69-M73 PolarHBondContact O-N 2.77Å; E70-M73 HydrophobicContact CG-CE 4.15Å; E70-M73 PolarHBondContact O-N 3.15Å; M73-E76 PolarHBondContact O-N 3.16Å; M73-K77 WeakPolarHBondContact O-CB 3.23Å; M73-K77 PolarHBondContact O-N 3.04Å |
| 74 | K | 90.8 | Very high | 91.4 | Very high | 136 Ų | 136 | 114 Ų | 114 | 59% | 0.591 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.1 | -46.2 | 176.3 | -172.7 | 177.9 | 176.1 | -176 | 0 | 111.7 | E70 K71 Q72 E76 K77 E78 | E70-K74 WeakPolarHBondContact O-CB 3.3Å; E70-K74 PolarHBondContact O-N 2.92Å; K71-K74 PolarHBondContact O-N 2.79Å; Q72-K74 VanDerWaalsContact C-N 3.29Å; Q72-K74 PolarHBondContact O-N 3.14Å; K74-E76 PolarHBondContact O-N 3.32Å; K74-K77 PolarHBondContact O-N 3.18Å; K74-E78 WeakPolarHBondContact CE-OE1 3.43Å; K74-E78 WeakPolarHBondContact O-CB 3.33Å; K74-E78 WeakPolarHBondContact O-CG 3.5Å; K74-E78 PolarHBondContact O-N 2.76Å |
| 75 | Q | 87.9 | Confident | 91.5 | Very high | 94 Ų | 94 | 119.5 Ų | 119.5 | 44% | 0.439 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.5 | -40.2 | 177.7 | -73.2 | 178 | -11.7 | 0 | 0 | 112.5 | K71 Q72 K79 | K71-Q75 WeakPolarHBondContact O-CG 3.44Å; K71-Q75 PolarHBondContact O-N 3.21Å; Q72-Q75 PolarHBondContact O-N 2.74Å; Q75-K79 WeakPolarHBondContact O-CB 3.37Å; Q75-K79 WeakPolarHBondContact O-CG 3.26Å; Q75-K79 PolarHBondContact O-N 2.85Å |
| 76 | E | 91.4 | Very high | 91.4 | Very high | 141 Ų | 141 | 117.3 Ų | 117.3 | 66% | 0.659 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 176.8 | -168.4 | -177.8 | 165.5 | 0 | 0 | 111.4 | Q72 M73 K74 K79 K80 | Q72-E76 WeakPolarHBondContact O-CB 3.48Å; Q72-E76 PolarHBondContact O-N 3.08Å; M73-E76 PolarHBondContact O-N 3.16Å; K74-E76 PolarHBondContact O-N 3.32Å; E76-K79 PolarHBondContact O-N 2.58Å; E76-K80 WeakPolarHBondContact O-CB 3.27Å; E76-K80 PolarHBondContact O-N 3.39Å |
| 77 | K | 92.7 | Very high | 91.3 | Very high | 135 Ų | 135 | 114.1 Ų | 114.1 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.7 | -46.4 | 175.6 | -166.4 | -174.2 | -176 | -154.8 | 0 | 111.7 | M73 K74 K79 K80 E81 | M73-K77 WeakPolarHBondContact O-CB 3.23Å; M73-K77 PolarHBondContact O-N 3.04Å; K74-K77 PolarHBondContact O-N 3.18Å; K77-K79 VanDerWaalsContact C-N 3.35Å; K77-K79 PolarHBondContact O-N 3.4Å; K77-K80 PolarHBondContact O-N 3.49Å; K77-E81 WeakPolarHBondContact CE-OE1 3.29Å; K77-E81 IonicContact NZ-OE1 2.73Å; K77-E81 WeakPolarHBondContact O-CB 3.44Å; K77-E81 WeakPolarHBondContact O-CG 3.32Å; K77-E81 PolarHBondContact O-N 2.86Å |
| 78 | E | 90.7 | Very high | 91.5 | Very high | 102 Ų | 102 | 116.7 Ų | 116.7 | 48% | 0.477 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 177 | -75.4 | 172.3 | -176.3 | 0 | 0 | 111.9 | K74 K82 | K74-E78 WeakPolarHBondContact CE-OE1 3.43Å; K74-E78 WeakPolarHBondContact O-CB 3.33Å; K74-E78 WeakPolarHBondContact O-CG 3.5Å; K74-E78 PolarHBondContact O-N 2.76Å; E78-K82 VanDerWaalsContact O-CB 3.31Å; E78-K82 WeakPolarHBondContact O-CB 3.49Å; E78-K82 PolarHBondContact O-N 3.28Å |
| 79 | K | 90.4 | Very high | 91.5 | Very high | 156 Ų | 156 | 116.8 Ų | 116.8 | 68% | 0.678 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.5 | -44 | 174.4 | -76.7 | 179 | 179.7 | -175.4 | 0 | 111.8 | Q75 E76 K77 K82 A83 | Q75-K79 WeakPolarHBondContact O-CB 3.37Å; Q75-K79 WeakPolarHBondContact O-CG 3.26Å; Q75-K79 PolarHBondContact O-N 2.85Å; E76-K79 PolarHBondContact O-N 2.58Å; K77-K79 VanDerWaalsContact C-N 3.35Å; K77-K79 PolarHBondContact O-N 3.4Å; K79-K82 PolarHBondContact O-N 3.24Å; K79-A83 WeakPolarHBondContact O-CB 3.37Å; K79-A83 PolarHBondContact O-N 3.03Å |
| 80 | K | 93.8 | Very high | 91.4 | Very high | 152 Ų | 152 | 111.3 Ų | 111.3 | 66% | 0.661 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.8 | -45.5 | 178.9 | -171.4 | 176.4 | 179.4 | 178 | 0 | 111.8 | E76 K77 K82 A83 E84 | E76-K80 WeakPolarHBondContact O-CB 3.27Å; E76-K80 PolarHBondContact O-N 3.39Å; K77-K80 PolarHBondContact O-N 3.49Å; K80-K82 VanDerWaalsContact C-N 3.33Å; K80-K82 PolarHBondContact O-N 3.24Å; K80-A83 PolarHBondContact O-N 3.06Å; K80-E84 WeakPolarHBondContact O-CB 3.41Å; K80-E84 PolarHBondContact O-N 2.54Å |
| 81 | E | 91.9 | Very high | 91.3 | Very high | 81 Ų | 81 | 112.5 Ų | 112.5 | 38% | 0.379 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 176.3 | -73.2 | 177.8 | -173 | 0 | 0 | 111.7 | K77 R85 | K77-E81 WeakPolarHBondContact CE-OE1 3.29Å; K77-E81 IonicContact NZ-OE1 2.73Å; K77-E81 WeakPolarHBondContact O-CB 3.44Å; K77-E81 WeakPolarHBondContact O-CG 3.32Å; K77-E81 PolarHBondContact O-N 2.86Å; E81-R85 WeakPolarHBondContact O-CG 3.4Å; E81-R85 PolarHBondContact O-N 2.95Å |
| 82 | K | 91.4 | Very high | 91.3 | Very high | 164 Ų | 164 | 112 Ų | 112 | 71% | 0.713 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.9 | -43.8 | 175.5 | -171.9 | 177.3 | 179.9 | -178.8 | 0 | 111.9 | E78 K79 K80 R85 S86 | E78-K82 VanDerWaalsContact O-CB 3.31Å; E78-K82 WeakPolarHBondContact O-CB 3.49Å; E78-K82 PolarHBondContact O-N 3.28Å; K79-K82 PolarHBondContact O-N 3.24Å; K80-K82 VanDerWaalsContact C-N 3.33Å; K80-K82 PolarHBondContact O-N 3.24Å; K82-R85 PolarHBondContact O-N 3.22Å; K82-S86 PolarHBondContact O-N 2.82Å; K82-S86 PolarHBondContact O-OG 3.35Å |
| 83 | A | 92.6 | Very high | 91.1 | Very high | 55 Ų | 55 | 112.1 Ų | 112.1 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K79 K80 S86 A87 | K79-A83 WeakPolarHBondContact O-CB 3.37Å; K79-A83 PolarHBondContact O-N 3.03Å; K80-A83 PolarHBondContact O-N 3.06Å; A83-S86 WeakPolarHBondContact CA-OG 3.4Å; A83-S86 PolarHBondContact O-N 2.77Å; A83-S86 PolarHBondContact O-OG 3.09Å; A83-A87 WeakPolarHBondContact O-CB 3.33Å; A83-A87 PolarHBondContact O-N 3.06Å |
| 84 | E | 93.9 | Very high | 90.8 | Very high | 97 Ų | 97 | 112.1 Ų | 112.1 | 45% | 0.453 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 177 | -165.2 | -173.7 | 149.7 | 0 | 0 | 111.7 | K80 A87 K88 | K80-E84 WeakPolarHBondContact O-CB 3.41Å; K80-E84 PolarHBondContact O-N 2.54Å; E84-A87 PolarHBondContact O-N 3.27Å; E84-K88 WeakPolarHBondContact O-CG 3.31Å; E84-K88 PolarHBondContact O-N 3.31Å; E84-K88 WeakPolarHBondContact OE1-CE 3.5Å; E84-K88 IonicContact OE1-NZ 2.79Å; E84-K88 PolarHBondContact OE1-NZ 2.99Å |
| 85 | R | 90.6 | Very high | 90.5 | Very high | 177 Ų | 177 | 110.3 Ų | 110.3 | 67% | 0.668 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 174.2 | -75 | -177.3 | -170.1 | -179.4 | 5.4 | 112.3 | E81 K82 A87 K88 L89 | E81-R85 WeakPolarHBondContact O-CG 3.4Å; E81-R85 PolarHBondContact O-N 2.95Å; K82-R85 PolarHBondContact O-N 3.22Å; R85-A87 VanDerWaalsContact C-N 3.33Å; R85-K88 PolarHBondContact O-N 3.27Å; R85-L89 WeakPolarHBondContact O-CG 3.29Å; R85-L89 PolarHBondContact O-N 3.41Å |
| 86 | S | 90.4 | Very high | 90.1 | Very high | 70 Ų | 70 | 111 Ų | 111 | 49% | 0.49 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.8 | -36.6 | 177.3 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | K82 A83 L89 A90 | K82-S86 PolarHBondContact O-N 2.82Å; K82-S86 PolarHBondContact O-OG 3.35Å; A83-S86 WeakPolarHBondContact CA-OG 3.4Å; A83-S86 PolarHBondContact O-N 2.77Å; A83-S86 PolarHBondContact O-OG 3.09Å; S86-L89 PolarHBondContact O-N 3.48Å; S86-A90 WeakPolarHBondContact O-CB 3.44Å; S86-A90 PolarHBondContact O-N 2.96Å |
| 87 | A | 93.2 | Very high | 89.5 | Confident | 58 Ų | 58 | 109.7 Ų | 109.7 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A83 E84 R85 L89 A90 E91 | A83-A87 WeakPolarHBondContact O-CB 3.33Å; A83-A87 PolarHBondContact O-N 3.06Å; E84-A87 PolarHBondContact O-N 3.27Å; R85-A87 VanDerWaalsContact C-N 3.33Å; A87-L89 PolarHBondContact O-N 3.05Å; A87-A90 PolarHBondContact O-N 3.41Å; A87-E91 WeakPolarHBondContact O-CB 3.07Å; A87-E91 PolarHBondContact O-N 3.48Å |
| 88 | K | 93.2 | Very high | 88.9 | Confident | 107 Ų | 107 | 108.8 Ų | 108.8 | 47% | 0.465 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 175.6 | -74 | 177.9 | -174.6 | 168.3 | 0 | 112.6 | E84 R85 A90 E91 E92 | E84-K88 WeakPolarHBondContact O-CG 3.31Å; E84-K88 PolarHBondContact O-N 3.31Å; E84-K88 WeakPolarHBondContact OE1-CE 3.5Å; E84-K88 IonicContact OE1-NZ 2.79Å; E84-K88 PolarHBondContact OE1-NZ 2.99Å; R85-K88 PolarHBondContact O-N 3.27Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-A90 PolarHBondContact O-N 3.24Å; K88-E91 PolarHBondContact O-N 2.96Å; K88-E92 WeakPolarHBondContact O-CB 3.23Å; K88-E92 WeakPolarHBondContact O-CG 3.18Å; K88-E92 PolarHBondContact O-N 3.36Å |
| 89 | L | 89.1 | Confident | 88.1 | Confident | 112 Ų | 112 | 109.6 Ų | 109.6 | 59% | 0.586 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.9 | -39.5 | 176.7 | -72.2 | 169.5 | 0 | 0 | 0 | 112.1 | R85 S86 A87 E93 | R85-L89 WeakPolarHBondContact O-CG 3.29Å; R85-L89 PolarHBondContact O-N 3.41Å; S86-L89 PolarHBondContact O-N 3.48Å; A87-L89 PolarHBondContact O-N 3.05Å; L89-E93 WeakPolarHBondContact O-CB 3.45Å; L89-E93 PolarHBondContact O-N 3.35Å |
| 90 | A | 90.5 | Very high | 86.9 | Confident | 56 Ų | 56 | 108.9 Ų | 108.9 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S86 A87 K88 E93 E94 | S86-A90 WeakPolarHBondContact O-CB 3.44Å; S86-A90 PolarHBondContact O-N 2.96Å; A87-A90 PolarHBondContact O-N 3.41Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-A90 PolarHBondContact O-N 3.24Å; A90-E93 PolarHBondContact O-N 2.62Å; A90-E94 WeakPolarHBondContact O-CB 3.31Å; A90-E94 PolarHBondContact O-N 3.27Å |
| 91 | E | 91 | Very high | 85.4 | Confident | 126 Ų | 126 | 110.3 Ų | 110.3 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.1 | -43.6 | 176.5 | -167.9 | 174 | -168.1 | 0 | 0 | 111.6 | A87 K88 E93 E94 E95 | A87-E91 WeakPolarHBondContact O-CB 3.07Å; A87-E91 PolarHBondContact O-N 3.48Å; K88-E91 PolarHBondContact O-N 2.96Å; E91-E93 PolarHBondContact O-N 3.22Å; E91-E94 PolarHBondContact O-N 2.96Å; E91-E95 PolarHBondContact O-N 2.91Å |
| 92 | E | 88.2 | Confident | 83.9 | Confident | 127 Ų | 127 | 114.1 Ų | 114.1 | 59% | 0.593 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.9 | -41.3 | 172.9 | -76.2 | 178.1 | 179.7 | 0 | 0 | 112.1 | K88 E95 E96 | K88-E92 WeakPolarHBondContact O-CB 3.23Å; K88-E92 WeakPolarHBondContact O-CG 3.18Å; K88-E92 PolarHBondContact O-N 3.36Å; E92-E95 PolarHBondContact O-N 3.38Å; E92-E96 PolarHBondContact O-N 3.16Å |
| 93 | E | 86.4 | Confident | 82.1 | Confident | 105 Ų | 105 | 113 Ų | 113 | 49% | 0.491 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.1 | -36.3 | 177.2 | -159.5 | -169 | 146.9 | 0 | 0 | 112 | L89 A90 E91 E96 K97 | L89-E93 WeakPolarHBondContact O-CB 3.45Å; L89-E93 PolarHBondContact O-N 3.35Å; A90-E93 PolarHBondContact O-N 2.62Å; E91-E93 PolarHBondContact O-N 3.22Å; E93-E96 PolarHBondContact O-N 2.86Å; E93-K97 WeakPolarHBondContact O-CB 3.2Å; E93-K97 VanDerWaalsContact O-CG 3.31Å; E93-K97 WeakPolarHBondContact O-CG 3.31Å; E93-K97 PolarHBondContact O-N 3.16Å; E93-K97 VanDerWaalsContact OE1-CE 3.26Å; E93-K97 WeakPolarHBondContact OE1-CE 3.23Å; E93-K97 IonicContact OE1-NZ 3.31Å; E93-K97 PolarHBondContact OE1-NZ 2.91Å |
| 94 | E | 86.4 | Confident | 79.8 | Confident | 104 Ų | 104 | 113.6 Ų | 113.6 | 49% | 0.486 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.7 | -40.7 | 175.6 | -152.8 | -163.4 | 141.9 | 0 | 0 | 111.6 | A90 E91 K97 K98 | A90-E94 WeakPolarHBondContact O-CB 3.31Å; A90-E94 PolarHBondContact O-N 3.27Å; E91-E94 PolarHBondContact O-N 2.96Å; E94-K97 PolarHBondContact O-N 3.24Å; E94-K98 WeakPolarHBondContact O-CG 3.33Å; E94-K98 PolarHBondContact O-N 2.7Å; E94-K98 VanDerWaalsContact OE1-CE 3.24Å; E94-K98 WeakPolarHBondContact OE1-CE 3.4Å; E94-K98 IonicContact OE1-NZ 2.58Å; E94-K98 PolarHBondContact OE1-NZ 2.81Å |
| 95 | E | 85.6 | Confident | 77.4 | Confident | 98 Ų | 98 | 117.3 Ų | 117.3 | 46% | 0.458 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62 | -42.5 | 171.5 | -83 | -157.1 | 177.5 | 0 | 0 | 112.2 | E91 E92 K97 K98 K99 | E91-E95 PolarHBondContact O-N 2.91Å; E92-E95 PolarHBondContact O-N 3.38Å; E95-K97 VanDerWaalsContact C-N 3.33Å; E95-K97 PolarHBondContact O-N 2.83Å; E95-K98 PolarHBondContact O-N 2.73Å; E95-K99 WeakPolarHBondContact O-CG 3.39Å; E95-K99 PolarHBondContact O-N 3.3Å; E95-K99 IonicContact OE2-NZ 2.74Å; E95-K99 PolarHBondContact OE2-NZ 2.77Å |
| 96 | E | 79.7 | Confident | 74.9 | Confident | 107 Ų | 107 | 111.8 Ų | 111.8 | 50% | 0.5 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.3 | -42 | 174.5 | -92.1 | -150.1 | 178.8 | 0 | 0 | 111.9 | E92 E93 K99 K100 | E92-E96 PolarHBondContact O-N 3.16Å; E93-E96 PolarHBondContact O-N 2.86Å; E96-K99 PolarHBondContact O-N 3.18Å; E96-K100 WeakPolarHBondContact O-CB 3.2Å; E96-K100 WeakPolarHBondContact O-CG 3.02Å; E96-K100 PolarHBondContact O-N 2.74Å; E96-K100 IonicContact OE2-NZ 3.96Å; E96-K100 PolarHBondContact OE2-NZ 3.42Å |
| 97 | K | 78.7 | Confident | 72.7 | Confident | 114 Ų | 114 | 115.1 Ų | 115.1 | 50% | 0.496 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.8 | -40 | 175.7 | -76.2 | 170.4 | -173.8 | 164.5 | 0 | 111.4 | E93 E94 E95 K100 K101 | E93-K97 WeakPolarHBondContact O-CB 3.2Å; E93-K97 VanDerWaalsContact O-CG 3.31Å; E93-K97 WeakPolarHBondContact O-CG 3.31Å; E93-K97 PolarHBondContact O-N 3.16Å; E93-K97 VanDerWaalsContact OE1-CE 3.26Å; E93-K97 WeakPolarHBondContact OE1-CE 3.23Å; E93-K97 IonicContact OE1-NZ 3.31Å; E93-K97 PolarHBondContact OE1-NZ 2.91Å; E94-K97 PolarHBondContact O-N 3.24Å; E95-K97 VanDerWaalsContact C-N 3.33Å; E95-K97 PolarHBondContact O-N 2.83Å; K97-K100 PolarHBondContact O-N 3.34Å; K97-K101 WeakPolarHBondContact O-CG 3.45Å; K97-K101 PolarHBondContact O-N 3.12Å |
| 98 | K | 78.4 | Confident | 70.2 | Confident | 117 Ų | 117 | 122.8 Ų | 122.8 | 51% | 0.509 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.4 | -46.3 | 174.5 | -75.5 | 172.7 | -174.7 | 160.7 | 0 | 111.7 | E94 E95 K100 K101 E102 | E94-K98 WeakPolarHBondContact O-CG 3.33Å; E94-K98 PolarHBondContact O-N 2.7Å; E94-K98 VanDerWaalsContact OE1-CE 3.24Å; E94-K98 WeakPolarHBondContact OE1-CE 3.4Å; E94-K98 IonicContact OE1-NZ 2.58Å; E94-K98 PolarHBondContact OE1-NZ 2.81Å; E95-K98 PolarHBondContact O-N 2.73Å; K98-K100 VanDerWaalsContact C-N 3.34Å; K98-K100 PolarHBondContact O-N 3.14Å; K98-K101 PolarHBondContact O-N 2.61Å; K98-K101 VanDerWaalsContact O-N 3.09Å; K98-E102 PolarHBondContact O-N 2.89Å |
| 99 | K | 75.7 | Confident | 67.8 | Low | 118 Ų | 118 | 125.4 Ų | 125.4 | 51% | 0.513 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -62.1 | -37.6 | 175.6 | -74 | 169 | -177.7 | 150.4 | 0 | 112.7 | E95 E96 K101 E102 N103 | E95-K99 WeakPolarHBondContact O-CG 3.39Å; E95-K99 PolarHBondContact O-N 3.3Å; E95-K99 IonicContact OE2-NZ 2.74Å; E95-K99 PolarHBondContact OE2-NZ 2.77Å; E96-K99 PolarHBondContact O-N 3.18Å; K99-K101 VanDerWaalsContact C-N 3.35Å; K99-E102 PolarHBondContact O-N 2.9Å; K99-N103 PolarHBondContact O-N 2.92Å |
| 100 | K | 65.1 | Low | 65.5 | Low | 141 Ų | 141 | 127.9 Ų | 127.9 | 61% | 0.613 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.3 | -30.4 | 173.6 | -76.8 | 166.5 | 176.9 | 152.6 | 0 | 112.7 | E96 K97 K98 | E96-K100 WeakPolarHBondContact O-CB 3.2Å; E96-K100 WeakPolarHBondContact O-CG 3.02Å; E96-K100 PolarHBondContact O-N 2.74Å; E96-K100 IonicContact OE2-NZ 3.96Å; E96-K100 PolarHBondContact OE2-NZ 3.42Å; K97-K100 PolarHBondContact O-N 3.34Å; K98-K100 VanDerWaalsContact C-N 3.34Å; K98-K100 PolarHBondContact O-N 3.14Å |
| 101 | K | 61.4 | Low | 63.2 | Low | 182 Ų | 182 | 133.7 Ų | 133.7 | 79% | 0.791 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -75.9 | -32.8 | 172.8 | -77.3 | -177 | 176.2 | -174.6 | 0 | 113.1 | K97 K98 K99 | K97-K101 WeakPolarHBondContact O-CG 3.45Å; K97-K101 PolarHBondContact O-N 3.12Å; K98-K101 PolarHBondContact O-N 2.61Å; K98-K101 VanDerWaalsContact O-N 3.09Å; K99-K101 VanDerWaalsContact C-N 3.35Å |
| 102 | E | 60.2 | Low | 61 | Low | 162 Ų | 162 | 134.5 Ų | 134.5 | 76% | 0.757 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -77.9 | -33.7 | 177.5 | -76.9 | -175.2 | 154.7 | 0 | 0 | 113.5 | K98 K99 G104 | K98-E102 PolarHBondContact O-N 2.89Å; K99-E102 PolarHBondContact O-N 2.9Å; E102-G104 PolarHBondContact O-N 2.89Å |
| 103 | N | 53.6 | Low | 59.6 | Low | 139 Ų | 139 | 133.1 Ų | 133.1 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -78.6 | 65.3 | 169.8 | -75.2 | -19 | 0 | 0 | 0 | 110.5 | K99 D105 | K99-N103 PolarHBondContact O-N 2.92Å; N103-D105 PolarHBondContact O-N 3.39Å |
| 104 | G | 44.9 | Very low | 58 | Low | 68 Ų | 68 | 134.8 Ų | 134.8 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | trans | -68.9 | 112.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | E102 | E102-G104 PolarHBondContact O-N 2.89Š| ||
| 105 | D | 44.2 | Very low | 56.2 | Low | 175 Ų | 175 | 137.3 Ų | 137.3 | 94% | 0.936 | 70% | 0.698 | S | S | * | * | trans | -137.9 | 101.2 | 144.3 | -161.2 | 18.3 | 0 | 0 | 0 | 109.1 | N103 | N103-D105 PolarHBondContact O-N 3.39Š| ||
| 106 | G | 38 | Very low | 54.6 | Low | 62 Ų | 62 | 138 Ų | 138 | 64% | 0.639 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 160.9 | 138.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 107 | P | 43.9 | Very low | 53.3 | Low | 139 Ų | 139 | 135.7 Ų | 135.7 | 90% | 0.903 | 70% | 0.7 | S | S | * | * | trans | -75.8 | 147.8 | -159.4 | 31.2 | -34.5 | 0 | 0 | 0 | 114.5 | ||||
| 108 | R | 41 | Very low | 52.7 | Low | 220 Ų | 220 | 137.4 Ų | 137.4 | 83% | 0.83 | 71% | 0.71 | S | S | * | * | trans | -80.4 | 120.4 | -165.5 | -169.1 | 175.3 | -174.6 | 168.5 | 1.6 | 113.2 | ||||
| 109 | I | 41 | Very low | 51.9 | Low | 162 Ų | 162 | 139 Ų | 139 | 83% | 0.831 | 72% | 0.717 | S | S | * | * | trans | -119.6 | 129.3 | 155.6 | -60.3 | 174.2 | 0 | 0 | 0 | 106.1 | ||||
| 110 | Q | 41 | Very low | 51.1 | Low | 163 Ų | 163 | 137.4 Ų | 137.4 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | trans | -97.1 | 108.7 | -169.6 | -167.9 | 169.1 | 0.8 | 0 | 0 | 109.5 | ||||
| 111 | E | 42 | Very low | 50.9 | Low | 178 Ų | 178 | 136.7 Ų | 136.7 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 138.1 | 176.1 | -66.9 | 179.6 | 162 | 0 | 0 | 110.5 | ||
| 112 | L | 45.6 | Very low | 51.1 | Low | 143 Ų | 143 | 131.4 Ų | 131.4 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 143.7 | 177.8 | -69.8 | 157.5 | 0 | 0 | 0 | 110.4 | ||
| 113 | T | 58.3 | Low | 51.5 | Low | 99 Ų | 99 | 130.3 Ų | 130.3 | 61% | 0.607 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 142.7 | -173.8 | 37.4 | 0 | 0 | 0 | 0 | 113.3 | E115 E116 | T113-E115 PolarHBondContact O-N 3.16Å; T113-E116 PolarHBondContact O-N 2.86Å |
| 114 | D | 52.6 | Low | 51.9 | Low | 140 Ų | 140 | 126.8 Ų | 126.8 | 75% | 0.749 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -51.6 | -24.5 | -173.9 | -59.1 | -42 | 0 | 0 | 0 | 115.2 | E116 A117 E118 | D114-E116 VanDerWaalsContact C-N 3.35Å; D114-E116 PolarHBondContact O-N 3.24Å; D114-A117 PolarHBondContact O-N 3.37Å; D114-E118 PolarHBondContact O-N 2.92Å |
| 115 | E | 50.1 | Low | 53.2 | Low | 157 Ų | 157 | 128.2 Ų | 128.2 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.4 | -27 | 177.4 | -68.9 | -173.1 | 158.8 | 0 | 0 | 114.1 | T113 | T113-E115 PolarHBondContact O-N 3.16Å |
| 116 | E | 51.4 | Low | 54.4 | Low | 112 Ų | 112 | 127.2 Ų | 127.2 | 52% | 0.523 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -79.3 | -28.9 | 175.5 | -76.6 | -172.8 | 146 | 0 | 0 | 111.9 | T113 D114 L120 | T113-E116 PolarHBondContact O-N 2.86Å; D114-E116 VanDerWaalsContact C-N 3.35Å; D114-E116 PolarHBondContact O-N 3.24Å; E116-L120 PolarHBondContact O-N 3.16Å |
| 117 | A | 52.1 | Low | 55.8 | Low | 58 Ų | 58 | 130.8 Ų | 130.8 | 48% | 0.479 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -70.3 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | D114 L120 Q121 | D114-A117 PolarHBondContact O-N 3.37Å; A117-L120 PolarHBondContact O-N 2.81Å; A117-Q121 PolarHBondContact O-N 3.44Å; A117-Q121 VanDerWaalsContact O-N 3.1Å |
| 118 | E | 65.4 | Low | 56.8 | Low | 151 Ų | 151 | 129.6 Ų | 129.6 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.6 | -37.1 | 177.9 | -74.4 | -166.9 | 153.2 | 0 | 0 | 113 | D114 Q121 S122 | D114-E118 PolarHBondContact O-N 2.92Å; E118-Q121 PolarHBondContact O-N 3.37Å; E118-S122 PolarHBondContact O-N 3.39Å; E118-S122 VanDerWaalsContact O-N 3.09Å |
| 119 | K | 62.7 | Low | 57.9 | Low | 150 Ų | 150 | 126.6 Ų | 126.6 | 65% | 0.652 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.7 | -44.7 | 176 | -85.1 | 179.4 | 178.8 | 170.5 | 0 | 111.7 | Q121 S122 E123 | K119-Q121 VanDerWaalsContact C-N 3.34Å; K119-Q121 PolarHBondContact O-N 3.09Å; K119-S122 PolarHBondContact O-N 3.02Å; K119-S122 PolarHBondContact O-OG 3.08Å; K119-E123 PolarHBondContact O-N 2.94Å |
| 120 | L | 58.2 | Low | 58.6 | Low | 84 Ų | 84 | 125.4 Ų | 125.4 | 44% | 0.44 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.7 | -39.5 | 176.1 | -105.9 | 114 | 0 | 0 | 0 | 112.5 | E116 A117 S122 E123 L124 | E116-L120 PolarHBondContact O-N 3.16Å; A117-L120 PolarHBondContact O-N 2.81Å; L120-S122 VanDerWaalsContact C-N 3.35Å; L120-S122 PolarHBondContact O-N 3.12Å; L120-E123 PolarHBondContact O-N 3.48Å; L120-L124 WeakPolarHBondContact O-CD1 3.47Å; L120-L124 WeakPolarHBondContact O-CG 3.49Å; L120-L124 PolarHBondContact O-N 3.13Å |
| 121 | Q | 61.3 | Low | 59.1 | Low | 127 Ų | 127 | 123.9 Ų | 123.9 | 59% | 0.593 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.8 | -42.2 | 178.2 | -153.3 | 100.9 | 3.3 | 0 | 0 | 111.5 | A117 E118 K119 E123 L124 D125 | A117-Q121 PolarHBondContact O-N 3.44Å; A117-Q121 VanDerWaalsContact O-N 3.1Å; E118-Q121 PolarHBondContact O-N 3.37Å; K119-Q121 VanDerWaalsContact C-N 3.34Å; K119-Q121 PolarHBondContact O-N 3.09Å; Q121-E123 PolarHBondContact O-N 2.84Å; Q121-L124 PolarHBondContact O-N 3.4Å; Q121-D125 PolarHBondContact O-N 3.45Å; Q121-D125 VanDerWaalsContact O-N 3.16Å |
| 122 | S | 66 | Low | 59.5 | Low | 71 Ų | 71 | 122.1 Ų | 122.1 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.2 | -31.4 | -179.1 | 74 | 0 | 0 | 0 | 0 | 113.9 | E118 K119 L120 | E118-S122 PolarHBondContact O-N 3.39Å; E118-S122 VanDerWaalsContact O-N 3.09Å; K119-S122 PolarHBondContact O-N 3.02Å; K119-S122 PolarHBondContact O-OG 3.08Å; L120-S122 VanDerWaalsContact C-N 3.35Å; L120-S122 PolarHBondContact O-N 3.12Å |
| 123 | E | 67.3 | Low | 59.6 | Low | 139 Ų | 139 | 123.5 Ų | 123.5 | 65% | 0.65 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.5 | -32.7 | 175.2 | -73.6 | -174.2 | 167.2 | 0 | 0 | 112.2 | K119 L120 Q121 K127 | K119-E123 PolarHBondContact O-N 2.94Å; L120-E123 PolarHBondContact O-N 3.48Å; Q121-E123 PolarHBondContact O-N 2.84Å; E123-K127 PolarHBondContact O-N 3.17Å |
| 124 | L | 62.9 | Low | 59 | Low | 65 Ų | 65 | 126.7 Ų | 126.7 | 34% | 0.34 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.7 | -38.1 | 177.8 | -76.5 | 163.1 | 0 | 0 | 0 | 112.9 | L120 Q121 K126 K127 K128 Q328 | L120-L124 WeakPolarHBondContact O-CD1 3.47Å; L120-L124 WeakPolarHBondContact O-CG 3.49Å; L120-L124 PolarHBondContact O-N 3.13Å; Q121-L124 PolarHBondContact O-N 3.4Å; L124-K126 VanDerWaalsContact C-N 3.28Å; L124-K126 PolarHBondContact O-N 3Å; L124-K127 PolarHBondContact O-N 3.41Å; L124-K128 PolarHBondContact O-N 3.49Å; L124-Q328 VanDerWaalsContact CD2-NE2 3.31Å |
| 125 | D | 72 | Confident | 58.6 | Low | 98 Ų | 98 | 128.4 Ų | 128.4 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.8 | -25.2 | 177.7 | -74.4 | -21.3 | 0 | 0 | 0 | 112.7 | Q121 | Q121-D125 PolarHBondContact O-N 3.45Å; Q121-D125 VanDerWaalsContact O-N 3.16Å |
| 126 | K | 69.1 | Low | 58.1 | Low | 153 Ų | 153 | 130.2 Ų | 130.2 | 67% | 0.665 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.1 | -42.1 | 174.7 | -125.1 | 177.9 | -179.1 | -178.5 | 0 | 112.1 | L124 K129 E130 | L124-K126 VanDerWaalsContact C-N 3.28Å; L124-K126 PolarHBondContact O-N 3Å; K126-K129 PolarHBondContact O-N 3.35Å; K126-E130 PolarHBondContact O-N 2.93Å |
| 127 | K | 66.9 | Low | 57.4 | Low | 138 Ų | 138 | 130.4 Ų | 130.4 | 60% | 0.6 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.2 | -38.9 | 176.5 | -92.7 | -178 | 171.9 | 177.2 | 0 | 113.1 | E123 L124 K129 E130 E131 | E123-K127 PolarHBondContact O-N 3.17Å; L124-K127 PolarHBondContact O-N 3.41Å; K127-K129 VanDerWaalsContact C-N 3.32Å; K127-K129 PolarHBondContact O-N 2.86Å; K127-E130 PolarHBondContact O-N 3.21Å; K127-E131 PolarHBondContact O-N 3.41Å |
| 128 | K | 66.7 | Low | 56.4 | Low | 114 Ų | 114 | 136.8 Ų | 136.8 | 50% | 0.496 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.6 | -33.2 | 177.3 | -86.4 | -172.7 | 165.5 | -160.7 | 0 | 114.1 | L124 E130 E131 E132 | L124-K128 PolarHBondContact O-N 3.49Å; K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E131 PolarHBondContact O-N 3.35Å; K128-E132 WeakPolarHBondContact O-CG 3.42Å; K128-E132 PolarHBondContact O-N 2.86Å; K128-E132 VanDerWaalsContact O-N 3.13Å |
| 129 | K | 63.2 | Low | 54.8 | Low | 157 Ų | 157 | 136.8 Ų | 136.8 | 68% | 0.683 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.2 | -28.9 | 176.8 | -80 | -178.8 | 176.5 | 177.5 | 0 | 113 | K126 K127 | K126-K129 PolarHBondContact O-N 3.35Å; K127-K129 VanDerWaalsContact C-N 3.32Å; K127-K129 PolarHBondContact O-N 2.86Å |
| 130 | E | 55.1 | Low | 53.2 | Low | 136 Ų | 136 | 136.2 Ų | 136.2 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75.9 | -33.2 | 174.9 | -69.2 | 174.1 | 175 | 0 | 0 | 111.4 | K126 K127 K128 | K126-E130 PolarHBondContact O-N 2.93Å; K127-E130 PolarHBondContact O-N 3.21Å; K128-E130 VanDerWaalsContact C-N 3.33Å |
| 131 | E | 52.2 | Low | 51.7 | Low | 132 Ų | 132 | 138.5 Ų | 138.5 | 62% | 0.617 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -74.3 | -32 | 176.4 | -72.1 | 174.8 | 171.5 | 0 | 0 | 113.3 | K127 K128 E133 E134 | K127-E131 PolarHBondContact O-N 3.41Å; K128-E131 PolarHBondContact O-N 3.35Å; E131-E133 VanDerWaalsContact C-N 3.34Å; E131-E133 PolarHBondContact O-N 3.01Å; E131-E134 PolarHBondContact O-N 3.25Å |
| 132 | E | 51.2 | Low | 50.1 | Low | 141 Ų | 141 | 136.3 Ų | 136.3 | 66% | 0.659 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -74.2 | -17.8 | 178.4 | -78 | -179.7 | 179.2 | 0 | 0 | 114.2 | K128 | K128-E132 WeakPolarHBondContact O-CG 3.42Å; K128-E132 PolarHBondContact O-N 2.86Å; K128-E132 VanDerWaalsContact O-N 3.13Å |
| 133 | E | 47.8 | Very low | 48.1 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -81.2 | -21.5 | 174.2 | -83.9 | -169.4 | 157.1 | 0 | 0 | 113.3 | E131 | E131-E133 VanDerWaalsContact C-N 3.34Å; E131-E133 PolarHBondContact O-N 3.01Å |
| 134 | E | 43.8 | Very low | 46.2 | Very low | 165 Ų | 165 | 139 Ų | 139 | 77% | 0.771 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -84.1 | -23.1 | 179 | -75.2 | -168.2 | 150.7 | 0 | 0 | 113.8 | E131 | E131-E134 PolarHBondContact O-N 3.25Å |
| 135 | E | 44.8 | Very low | 44.4 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -0.6 | -172.4 | -114.4 | -173.8 | 175.4 | 0 | 0 | 115.9 | T137 | E135-T137 VanDerWaalsContact C-N 3.31Å; E135-T137 PolarHBondContact O-N 3.48Å |
| 136 | K | 40.8 | Very low | 42.3 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 85% | 0.848 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 9.2 | 178.6 | -91.6 | -179.2 | -178.7 | 169.8 | 0 | 115.9 | ||
| 137 | T | 35.6 | Very low | 40.2 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -123.9 | 78.7 | 173.8 | 44.3 | 0 | 0 | 0 | 0 | 112.6 | E135 | E135-T137 VanDerWaalsContact C-N 3.31Å; E135-T137 PolarHBondContact O-N 3.48Å |
| 138 | K | 32.2 | Very low | 38.2 | Very low | 193 Ų | 193 | 142.7 Ų | 142.7 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 177.1 | 109.6 | 141 | -95.2 | 150.5 | -170.8 | 174.4 | 0 | 113 | ||
| 139 | N | 30.4 | Very low | 36.3 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | trans | 52.7 | 121.8 | 144.1 | -58 | -3.2 | 0 | 0 | 0 | 119.5 | ||||
| 140 | D | 29.1 | Very low | 34.6 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | cis | 75.5 | 132.1 | 41.7 | -160 | 32.8 | 0 | 0 | 0 | 116.7 | ||||
| 141 | T | 26.7 | Very low | 33.7 | Very low | 131 Ų | 131 | 148.5 Ų | 148.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 68.3 | 132.9 | 171.7 | 53 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 142 | G | 27.2 | Very low | 32.5 | Very low | 81 Ų | 81 | 152 Ų | 152 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | cis | 163.6 | 159.7 | 2.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 143 | G | 25.7 | Very low | 31.9 | Very low | 83 Ų | 83 | 149.2 Ų | 149.2 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | 130.9 | 111.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 144 | E | 26 | Very low | 30.9 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -39.8 | 169.9 | 167.2 | -68 | 166.1 | 152.8 | 0 | 0 | 118.8 | ||||
| 145 | E | 26.7 | Very low | 30.7 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 67% | 0.668 | 80% | 0.802 | S | S | * | * | cis | -168.9 | 164.2 | 7.3 | -127.1 | -170.6 | -175.4 | 0 | 0 | 111 | ||||
| 146 | K | 27.1 | Very low | 30.1 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 70% | 0.704 | 79% | 0.793 | S | S | * | * | trans | 88.5 | 109.2 | 144 | -89.9 | -172.2 | -177.4 | 96.7 | 0 | 125.4 | ||||
| 147 | S | 25.7 | Very low | 30.1 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | 56.8 | 124.6 | 124.4 | 70 | 0 | 0 | 0 | 0 | 123 | |||||
| 148 | S | 23.8 | Very low | 30.4 | Very low | 126 Ų | 126 | 137 Ų | 137 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | 177.4 | 154.2 | 108.2 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 149 | D | 28 | Very low | 31 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -74.7 | 145.8 | -170.2 | -157.9 | 0.2 | 0 | 0 | 0 | 114.2 | ||||
| 150 | K | 26.2 | Very low | 31.6 | Very low | 203 Ų | 203 | 133.7 Ų | 133.7 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -174.7 | 114 | 146.6 | -116.1 | 172.5 | -177.6 | 170.6 | 0 | 114 | ||||
| 151 | E | 36.5 | Very low | 32.8 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | trans | -49.8 | 138.8 | 154.9 | -66.8 | 176.7 | 137.9 | 0 | 0 | 112.4 | ||||
| 152 | K | 27.3 | Very low | 34.4 | Very low | 206 Ų | 206 | 133.1 Ų | 133.1 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | trans | -158.5 | 117.5 | 144.3 | -124.3 | 179.2 | -179.2 | -174.8 | 0 | 110.2 | S154 | K152-S154 PolarHBondContact O-N 3.38Š| ||
| 153 | G | 37.9 | Very low | 35.9 | Very low | 81 Ų | 81 | 138 Ų | 138 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | -54.8 | 131.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 154 | S | 27.5 | Very low | 37.7 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -106.1 | 91 | 167.4 | 179.3 | 0 | 0 | 0 | 0 | 106.6 | K152 S156 | K152-S154 PolarHBondContact O-N 3.38Å; S154-S156 PolarHBondContact O-N 2.84Å | ||
| 155 | D | 40.3 | Very low | 39.5 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -57.6 | 112.6 | 152.8 | -165.4 | 19.8 | 0 | 0 | 0 | 106.7 | ||||
| 156 | S | 32.1 | Very low | 41.8 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | trans | -120.1 | 93.8 | 172.8 | 55.9 | 0 | 0 | 0 | 0 | 107.1 | S154 A158 | S154-S156 PolarHBondContact O-N 2.84Å; S156-A158 PolarHBondContact O-N 3.49Å | ||
| 157 | D | 40.9 | Very low | 44.6 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 78% | 0.775 | 69% | 0.688 | S | S | * | * | trans | -51.6 | 89.3 | 156.3 | -100.7 | -33.3 | 0 | 0 | 0 | 108.1 | ||||
| 158 | A | 40.8 | Very low | 47.5 | Very low | 78 Ų | 78 | 126 Ų | 126 | 65% | 0.645 | 67% | 0.671 | S | S | * | * | trans | -87.2 | 122.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | S156 E160 | S156-A158 PolarHBondContact O-N 3.49Å; A158-E160 PolarHBondContact O-N 3.19Å | ||
| 159 | E | 44.3 | Very low | 50.6 | Low | 195 Ų | 195 | 128 Ų | 128 | 91% | 0.911 | 66% | 0.664 | S | S | * | * | trans | -13.8 | 103.4 | 178.2 | -58.1 | -167.4 | 162.7 | 0 | 0 | 114.8 | D161 | E159-D161 PolarHBondContact O-N 3.41Š| ||
| 160 | E | 44.2 | Very low | 53.7 | Low | 79 Ų | 79 | 121.9 Ų | 121.9 | 37% | 0.369 | 63% | 0.632 | S | S | . | * | trans | -69.6 | 111.9 | 168.7 | -65.2 | -164.4 | 142.7 | 0 | 0 | 108.7 | A158 E162 K165 K277 | A158-E160 PolarHBondContact O-N 3.19Å; E160-E162 PolarHBondContact O-N 3.38Å; E160-K165 HydrophobicContact CB-CG 4.09Å; E160-K165 WeakPolarHBondContact OE2-CG 3.37Å; E160-K277 IonicContact OE1-NZ 2.83Å; E160-K277 PolarHBondContact OE1-NZ 3.45Å | ||
| 161 | D | 54.7 | Low | 56.8 | Low | 95 Ų | 95 | 113.4 Ų | 113.4 | 51% | 0.508 | 60% | 0.597 | S | S | . | * | trans | -40.1 | 127.6 | 160.1 | -82.3 | -42 | 0 | 0 | 0 | 108 | E159 K163 D164 K276 | E159-D161 PolarHBondContact O-N 3.41Å; D161-K163 PolarHBondContact O-N 3.43Å; D161-D164 HydrophobicContact CB-CB 4.38Å; D161-D164 PolarHBondContact O-N 3.49Å; D161-K276 IonicContact OD2-NZ 3.16Å; D161-K276 PolarHBondContact OD2-NZ 2.86Å | ||
| 162 | E | 59 | Low | 59.3 | Low | 163 Ų | 163 | 111.2 Ų | 111.2 | 76% | 0.762 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -20.4 | -176.9 | -73.3 | -142 | 135.4 | 0 | 0 | 113.7 | E160 | E160-E162 PolarHBondContact O-N 3.38Š|
| 163 | K | 59.9 | Low | 62.3 | Low | 184 Ų | 184 | 102.3 Ų | 102.3 | 80% | 0.8 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -15.4 | 176.3 | -65.6 | -178.3 | -179.8 | 178.3 | 0 | 114.9 | D161 | D161-K163 PolarHBondContact O-N 3.43Š|
| 164 | D | 63.3 | Low | 64.9 | Low | 10 Ų | 10 | 99.1 Ų | 99.1 | 5% | 0.053 | 53% | 0.532 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -6.9 | -175.5 | -74.3 | -25.9 | 0 | 0 | 0 | 113.1 | D161 D166 K167 K276 | D161-D164 HydrophobicContact CB-CB 4.38Å; D161-D164 PolarHBondContact O-N 3.49Å; D164-D166 VanDerWaalsContact C-N 3.3Å; D164-D166 PolarHBondContact O-N 3.32Å; D164-K167 PolarHBondContact O-N 3.5Å; D164-K167 IonicContact OD1-NZ 2.64Å; D164-K167 PolarHBondContact OD1-NZ 3.41Å; D164-K276 WeakPolarHBondContact OD2-CE 3.13Å; D164-K276 IonicContact OD2-NZ 2.74Å; D164-K276 PolarHBondContact OD2-NZ 2.98Å |
| 165 | K | 63.1 | Low | 68 | Low | 118 Ų | 118 | 94.3 Ų | 94.3 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.4 | 176 | -79.2 | -179.6 | 178.1 | 171.1 | 0 | 113.9 | E160 K167 | E160-K165 HydrophobicContact CB-CG 4.09Å; E160-K165 WeakPolarHBondContact OE2-CG 3.37Å; K165-K167 VanDerWaalsContact C-N 3.33Å |
| 166 | D | 75.9 | Confident | 70.6 | Confident | 156 Ų | 156 | 87 Ų | 87 | 83% | 0.834 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 0.4 | -178.3 | -71.7 | -24.2 | 0 | 0 | 0 | 113.4 | D164 | D164-D166 VanDerWaalsContact C-N 3.3Å; D164-D166 PolarHBondContact O-N 3.32Å |
| 167 | K | 85.2 | Confident | 73.5 | Confident | 67 Ų | 67 | 87.5 Ų | 87.5 | 29% | 0.291 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -95.6 | 141.1 | -178.4 | -65.6 | -178.7 | -173.2 | 160.7 | 0 | 111.6 | D164 K165 E272 N274 | D164-K167 PolarHBondContact O-N 3.5Å; D164-K167 IonicContact OD1-NZ 2.64Å; D164-K167 PolarHBondContact OD1-NZ 3.41Å; K165-K167 VanDerWaalsContact C-N 3.33Å; K167-E272 CarbonylContact C-O 3.48Å; K167-E272 WeakPolarHBondContact CA-O 3.26Å; K167-E272 HydrophobicContact CG-CB 4.3Å; K167-N274 HydrophobicContact CB-CB 3.97Å; K167-N274 HydrophobicContact CD-CB 4.45Å |
| 168 | L | 87.4 | Confident | 76 | Confident | 68 Ų | 68 | 82 Ų | 82 | 36% | 0.356 | 43% | 0.425 | S | S | . | . | B | Isolated β-bridge | trans | -66.4 | 140.4 | 178.6 | -65.2 | 172.3 | 0 | 0 | 0 | 110.9 | P271 E272 I273 N274 | L168-P271 HydrophobicContact CD1-CB 3.87Å; L168-P271 HydrophobicContact CD1-CG 3.59Å; L168-P271 HydrophobicContact CG-CB 4.3Å; L168-P271 HydrophobicContact CG-CG 4.5Å; L168-E272 PolarHBondContact N-O 3.49Å; L168-I273 HydrophobicContact CB-CG2 4.16Å; L168-I273 CarbonylContact O-C 3.58Å; L168-I273 VanDerWaalsContact O-CA 3.23Å; L168-I273 WeakPolarHBondContact O-CA 3.38Å; L168-N274 PolarHBondContact O-N 2.93Å |
| 169 | K | 88.9 | Confident | 78.4 | Confident | 169 Ų | 169 | 84.5 Ų | 84.5 | 74% | 0.735 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 129.5 | 170.2 | -173.7 | 175.4 | 179.3 | 175.9 | 0 | 108.8 | ||
| 170 | P | 92.2 | Very high | 80.7 | Confident | 17 Ų | 17 | 79.8 Ų | 79.8 | 11% | 0.11 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 145.1 | 176 | -22.5 | 31.8 | 0 | 0 | 0 | 112.2 | G175 I273 N274 K277 I278 | P170-G175 VanDerWaalsContact CA-O 3.23Å; P170-G175 WeakPolarHBondContact CA-O 3.42Å; P170-I273 HydrophobicContact CB-CD1 4.29Å; P170-I273 HydrophobicContact CG-CB 4.3Å; P170-I273 HydrophobicContact CG-CD1 4.24Å; P170-N274 VanDerWaalsContact CG-O 3.23Å; P170-N274 WeakPolarHBondContact CG-O 3.13Å; P170-K277 HydrophobicContact CG-CB 4.27Å; P170-I278 HydrophobicContact CB-CG1 4.27Å; P170-I278 HydrophobicContact CG-CG1 3.97Å |
| 171 | N | 91.6 | Very high | 83.1 | Confident | 25 Ų | 25 | 76.6 Ų | 76.6 | 13% | 0.134 | 40% | 0.401 | C | S | . | . | trans | -75.9 | 178.3 | 171.6 | 66 | 22.8 | 0 | 0 | 0 | 111.2 | G173 N174 G175 D177 W183 | N171-G173 PolarHBondContact O-N 2.93Å; N171-G173 VanDerWaalsContact O-N 3.1Å; N171-G173 PolarHBondContact OD1-N 3.08Å; N171-G173 VanDerWaalsContact OD1-N 3.14Å; N171-N174 PolarHBondContact O-N 3.46Å; N171-N174 PolarHBondContact OD1-N 3.45Å; N171-G175 PolarHBondContact N-O 3.37Å; N171-G175 PolarHBondContact OD1-N 3.14Å; N171-D177 PolarHBondContact ND2-OD1 3.45Å; N171-W183 PolarHBondContact ND2-O 2.93Å | ||
| 172 | S | 87.9 | Confident | 85 | Confident | 134 Ų | 134 | 77.9 Ų | 77.9 | 94% | 0.937 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.8 | -177.8 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 173 | G | 90.8 | Very high | 86.9 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 25 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N171 G175 T184 Q185 | N171-G173 PolarHBondContact O-N 2.93Å; N171-G173 VanDerWaalsContact O-N 3.1Å; N171-G173 PolarHBondContact OD1-N 3.08Å; N171-G173 VanDerWaalsContact OD1-N 3.14Å; G173-G175 PolarHBondContact O-N 3.3Å; G173-T184 CarbonylContact O-C 3.46Å; G173-T184 WeakPolarHBondContact O-CA 3.49Å; G173-T184 WeakPolarHBondContact O-CB 3.46Å; G173-Q185 PolarHBondContact O-N 3.48Å; G173-Q185 VanDerWaalsContact O-O 3.14Å |
| 174 | N | 93 | Very high | 88.6 | Confident | 14 Ų | 14 | 64 Ų | 64 | 8% | 0.075 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 57 | 17.4 | 176.4 | -60.2 | -51.1 | 0 | 0 | 0 | 115.4 | N171 Q185 W262 I273 I278 C279 | N171-N174 PolarHBondContact O-N 3.46Å; N171-N174 PolarHBondContact OD1-N 3.45Å; N174-Q185 HydrophobicContact CB-CG 4.38Å; N174-Q185 VanDerWaalsContact O-CG 3.27Å; N174-Q185 WeakPolarHBondContact O-CG 3.22Å; N174-Q185 PolarHBondContact O-NE2 2.97Å; N174-W262 HydrophobicContact CB-CE3 4.37Å; N174-W262 HydrophobicContact CB-CH2 4.27Å; N174-W262 HydrophobicContact CB-CZ3 3.74Å; N174-I273 WeakPolarHBondContact O-CD1 3.48Å; N174-I278 HydrophobicContact CB-CG1 4.15Å; N174-I278 HydrophobicContact CB-CG2 3.91Å; N174-C279 PolarHBondContact ND2-O 2.9Å; N174-C279 PolarHBondContact OD1-N 2.94Å; N174-C279 PolarHBondContact OD1-O 3.35Å |
| 175 | G | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -108.5 | -146.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | P170 N171 G173 W183 | P170-G175 VanDerWaalsContact CA-O 3.23Å; P170-G175 WeakPolarHBondContact CA-O 3.42Å; N171-G175 PolarHBondContact N-O 3.37Å; N171-G175 PolarHBondContact OD1-N 3.14Å; G173-G175 PolarHBondContact O-N 3.3Å; G175-W183 CarbonylContact C-O 3.53Å; G175-W183 VanDerWaalsContact CA-O 3.27Å; G175-W183 WeakPolarHBondContact CA-O 3.46Å |
| 176 | G | 94.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 151 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | W183 | G176-W183 PolarHBondContact N-O 3.5Å; G176-W183 VanDerWaalsContact N-O 3.09Å; G176-W183 PolarHBondContact O-N 3.28Å; G176-W183 PolarHBondContact O-NE1 3.1Å |
| 177 | D | 93.6 | Very high | 92 | Very high | 101 Ų | 101 | 55.8 Ų | 55.8 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 110.4 | 174.5 | -60.7 | -32.1 | 0 | 0 | 0 | 108.7 | N171 | N171-D177 PolarHBondContact ND2-OD1 3.45Å |
| 178 | L | 92.9 | Very high | 92.2 | Very high | 29 Ų | 29 | 54.3 Ų | 54.3 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | trans | -103.2 | 161.7 | 174.9 | -65.7 | 120.4 | 0 | 0 | 0 | 110.1 | N180 Y181 D270 P271 | L178-N180 PolarHBondContact O-N 3.21Å; L178-N180 VanDerWaalsContact O-N 3.13Å; L178-Y181 CarbonylContact C-O 3.51Å; L178-Y181 WeakPolarHBondContact CA-O 3.28Å; L178-Y181 VanDerWaalsContact CB-O 3.3Å; L178-Y181 WeakPolarHBondContact CB-O 3.38Å; L178-Y181 HydrophobicContact CD1-CD2 3.96Å; L178-Y181 HydrophobicContact CD1-CE2 3.44Å; L178-Y181 VanDerWaalsContact CD1-CE2 3.44Å; L178-Y181 PolarHBondContact N-O 3.49Å; L178-D270 HydrophobicContact CD2-CB 4.21Å; L178-P271 HydrophobicContact CD2-CG 3.76Å | ||
| 179 | P | 90.8 | Very high | 92.5 | Very high | 131 Ų | 131 | 54.1 Ų | 54.1 | 85% | 0.851 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -57 | -31.2 | 179.5 | -27.5 | 35.8 | 0 | 0 | 0 | 114.2 | ||
| 180 | N | 91.9 | Very high | 92.9 | Very high | 96 Ų | 96 | 46 Ų | 46 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -104.6 | -19.6 | -171 | -66.1 | -15.8 | 0 | 0 | 0 | 114 | L178 V226 | L178-N180 PolarHBondContact O-N 3.21Å; L178-N180 VanDerWaalsContact O-N 3.13Å; N180-V226 HydrophobicContact CB-CG1 3.72Å |
| 181 | Y | 95 | Very high | 93.2 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | trans | -162.8 | 160.7 | 179.4 | 57.8 | -88.6 | 0 | 0 | 0 | 110.2 | L178 I192 A193 M227 I266 D270 | L178-Y181 CarbonylContact C-O 3.51Å; L178-Y181 WeakPolarHBondContact CA-O 3.28Å; L178-Y181 VanDerWaalsContact CB-O 3.3Å; L178-Y181 WeakPolarHBondContact CB-O 3.38Å; L178-Y181 HydrophobicContact CD1-CD2 3.96Å; L178-Y181 HydrophobicContact CD1-CE2 3.44Å; L178-Y181 VanDerWaalsContact CD1-CE2 3.44Å; L178-Y181 PolarHBondContact N-O 3.49Å; Y181-I192 HydrophobicContact CD2-CG2 3.88Å; Y181-I192 HydrophobicContact CG-CG2 4.43Å; Y181-A193 WeakPolarHBondContact CA-O 3.44Å; Y181-A193 WeakPolarHBondContact CB-O 3.25Å; Y181-M227 HydrophobicContact CD1-CB 4.43Å; Y181-M227 HydrophobicContact CD2-SD 4.46Å; Y181-M227 HydrophobicContact CE1-CB 4.02Å; Y181-M227 HydrophobicContact CE1-CG 4.05Å; Y181-M227 HydrophobicContact CE1-SD 4.14Å; Y181-M227 HydrophobicContact CE2-SD 3.93Å; Y181-I266 HydrophobicContact CE2-CG1 4.38Å; Y181-D270 VanDerWaalsContact OH-CG 3.23Å; Y181-D270 PolarHBondContact OH-OD1 3.49Å; Y181-D270 PolarHBondContact OH-OD2 2.97Å | ||
| 182 | K | 95.9 | Very high | 93.5 | Very high | 123 Ų | 123 | 46.6 Ų | 46.6 | 54% | 0.535 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 153.4 | 172.1 | 61.9 | -177.6 | -178.8 | 175.7 | 0 | 109 | A193 | K182-A193 HydrophobicContact CD-CB 4.5Å; K182-A193 HydrophobicContact CG-CB 3.87Å; K182-A193 PolarHBondContact N-O 2.83Å; K182-A193 PolarHBondContact O-N 3.35Å |
| 183 | W | 97.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 153.6 | 175.7 | 62.3 | -81.2 | 0 | 0 | 0 | 111.1 | N171 G175 G176 Q185 I190 D191 I192 W263 I266 I273 | N171-W183 PolarHBondContact ND2-O 2.93Å; G175-W183 CarbonylContact C-O 3.53Å; G175-W183 VanDerWaalsContact CA-O 3.27Å; G175-W183 WeakPolarHBondContact CA-O 3.46Å; G176-W183 PolarHBondContact N-O 3.5Å; G176-W183 VanDerWaalsContact N-O 3.09Å; G176-W183 PolarHBondContact O-N 3.28Å; G176-W183 PolarHBondContact O-NE1 3.1Å; W183-Q185 HydrophobicContact CE3-CB 4.39Å; W183-Q185 HydrophobicContact CE3-CG 4.34Å; W183-Q185 HydrophobicContact CZ3-CB 4.11Å; W183-Q185 VanDerWaalsContact CZ3-CD 3.5Å; W183-Q185 HydrophobicContact CZ3-CG 3.72Å; W183-Q185 VanDerWaalsContact CZ3-NE2 3.35Å; W183-I190 HydrophobicContact CE3-CG2 4.1Å; W183-D191 CarbonylContact C-O 3.48Å; W183-D191 WeakPolarHBondContact CA-O 3.5Å; W183-D191 WeakPolarHBondContact CB-O 3.16Å; W183-I192 HydrophobicContact CB-CB 4.39Å; W183-I192 HydrophobicContact CB-CG1 3.99Å; W183-I192 HydrophobicContact CB-CG2 4.46Å; W183-W263 WeakPolarHBondContact CH2-O 3.49Å; W183-I266 HydrophobicContact CB-CD1 4.15Å; W183-I266 HydrophobicContact CB-CG1 4.08Å; W183-I266 HydrophobicContact CD2-CD1 3.41Å; W183-I266 VanDerWaalsContact CD2-CD1 3.41Å; W183-I266 HydrophobicContact CD2-CG1 3.54Å; W183-I266 HydrophobicContact CE3-CD1 3.4Å; W183-I266 VanDerWaalsContact CE3-CD1 3.4Å; W183-I266 HydrophobicContact CE3-CG1 4.1Å; W183-I266 HydrophobicContact CG-CD1 3.74Å; W183-I266 HydrophobicContact CG-CG1 3.5Å; W183-I266 HydrophobicContact CH2-CD1 4.41Å; W183-I266 HydrophobicContact CZ2-CD1 4.46Å; W183-I266 HydrophobicContact CZ2-CG1 4.48Å; W183-I266 HydrophobicContact CZ3-CD1 3.89Å; W183-I273 HydrophobicContact CH2-CD1 3.74Å; W183-I273 HydrophobicContact CH2-CG1 4.4Å; W183-I273 HydrophobicContact CZ2-CD1 4.1Å; W183-I273 HydrophobicContact CZ2-CG1 4.48Å; W183-I273 HydrophobicContact CZ2-CG2 4.08Å |
| 184 | T | 95.9 | Very high | 94.2 | Very high | 51 Ų | 51 | 40.1 Ų | 40.1 | 31% | 0.313 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 159.2 | 176.1 | 51.5 | 0 | 0 | 0 | 0 | 108.5 | G173 I190 D191 | G173-T184 CarbonylContact O-C 3.46Å; G173-T184 WeakPolarHBondContact O-CA 3.49Å; G173-T184 WeakPolarHBondContact O-CB 3.46Å; T184-I190 WeakPolarHBondContact O-CA 3.48Å; T184-I190 WeakPolarHBondContact O-CG2 3.38Å; T184-D191 PolarHBondContact N-O 2.98Å; T184-D191 PolarHBondContact O-N 3.34Å |
| 185 | Q | 94.6 | Very high | 94.3 | Very high | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 154.9 | 180 | 58.5 | 170 | -28.1 | 0 | 0 | 112.1 | G173 N174 W183 E189 I190 W262 W263 | G173-Q185 PolarHBondContact O-N 3.48Å; G173-Q185 VanDerWaalsContact O-O 3.14Å; N174-Q185 HydrophobicContact CB-CG 4.38Å; N174-Q185 VanDerWaalsContact O-CG 3.27Å; N174-Q185 WeakPolarHBondContact O-CG 3.22Å; N174-Q185 PolarHBondContact O-NE2 2.97Å; W183-Q185 HydrophobicContact CE3-CB 4.39Å; W183-Q185 HydrophobicContact CE3-CG 4.34Å; W183-Q185 HydrophobicContact CZ3-CB 4.11Å; W183-Q185 VanDerWaalsContact CZ3-CD 3.5Å; W183-Q185 HydrophobicContact CZ3-CG 3.72Å; W183-Q185 VanDerWaalsContact CZ3-NE2 3.35Å; Q185-E189 WeakPolarHBondContact CA-O 3.4Å; Q185-E189 WeakPolarHBondContact CB-O 3.42Å; Q185-I190 HydrophobicContact CB-CG1 3.99Å; Q185-W262 HydrophobicContact CG-CE3 3.9Å; Q185-W262 HydrophobicContact CG-CZ3 3.9Å; Q185-W263 PolarHBondContact NE2-O 3.3Å |
| 186 | T | 91.1 | Very high | 94.2 | Very high | 31 Ų | 31 | 44 Ų | 44 | 19% | 0.19 | 24% | 0.244 | C | C | . | . | trans | -111.9 | -168.8 | 159.3 | 73.6 | 0 | 0 | 0 | 0 | 108.8 | S188 E189 K256 | T186-S188 VanDerWaalsContact C-N 3.28Å; T186-S188 PolarHBondContact O-N 3.31Å; T186-S188 PolarHBondContact OG1-N 2.57Å; T186-S188 PolarHBondContact OG1-OG 2.8Å; T186-E189 HydrophobicContact CG2-CG 4.19Å; T186-E189 PolarHBondContact N-O 3.32Å; T186-E189 WeakPolarHBondContact OG1-CG 3.45Å; T186-E189 PolarHBondContact OG1-N 2.87Å; T186-K256 PolarHBondContact O-NZ 3.31Å | ||
| 187 | L | 88.3 | Confident | 94 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 38% | 0.382 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -67.1 | -29.1 | 172.6 | -76.1 | 174.3 | 0 | 0 | 0 | 112.9 | K256 K259 W262 | L187-K256 WeakPolarHBondContact O-CD 3.41Å; L187-K259 WeakPolarHBondContact CB-O 3.28Å; L187-K259 CarbonylContact O-C 3.48Å; L187-K259 VanDerWaalsContact O-CA 3.28Å; L187-K259 WeakPolarHBondContact O-CA 3.31Å; L187-W262 HydrophobicContact CD2-CD2 4.05Å; L187-W262 HydrophobicContact CD2-CG 4.26Å; L187-W262 HydrophobicContact CD2-CZ2 3.96Å; L187-W262 HydrophobicContact CG-CZ2 3.93Å |
| 188 | S | 89.4 | Confident | 93.7 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -99.6 | -29.8 | -174.7 | 47 | 0 | 0 | 0 | 0 | 114.4 | T186 K256 | T186-S188 VanDerWaalsContact C-N 3.28Å; T186-S188 PolarHBondContact O-N 3.31Å; T186-S188 PolarHBondContact OG1-N 2.57Å; T186-S188 PolarHBondContact OG1-OG 2.8Å; S188-K256 WeakPolarHBondContact O-CB 3.42Å; S188-K256 WeakPolarHBondContact O-CG 2.98Å; S188-K256 PolarHBondContact O-N 3.03Å |
| 189 | E | 94.7 | Very high | 93.6 | Very high | 63 Ų | 63 | 58.1 Ų | 58.1 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 164.3 | -166 | 52.8 | -176.9 | -162.2 | 0 | 0 | 112.2 | Q185 T186 H253 L254 | Q185-E189 WeakPolarHBondContact CA-O 3.4Å; Q185-E189 WeakPolarHBondContact CB-O 3.42Å; T186-E189 HydrophobicContact CG2-CG 4.19Å; T186-E189 PolarHBondContact N-O 3.32Å; T186-E189 WeakPolarHBondContact OG1-CG 3.45Å; T186-E189 PolarHBondContact OG1-N 2.87Å; E189-H253 IonicContact OE2-CE1 3.28Å; E189-H253 PolarHBondContact OE2-CE1 2.97Å; E189-H253 VanDerWaalsContact OE2-CE1 3.31Å; E189-H253 IonicContact OE2-NE2 3.67Å; E189-L254 CarbonylContact C-O 3.51Å; E189-L254 WeakPolarHBondContact CA-O 3.35Å |
| 190 | I | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 133 | 176.3 | -55.3 | -177.4 | 0 | 0 | 0 | 108.8 | W183 T184 Q185 I192 H253 L254 K256 W263 I266 | W183-I190 HydrophobicContact CE3-CG2 4.1Å; T184-I190 WeakPolarHBondContact O-CA 3.48Å; T184-I190 WeakPolarHBondContact O-CG2 3.38Å; Q185-I190 HydrophobicContact CB-CG1 3.99Å; I190-I192 HydrophobicContact CG2-CD1 4.47Å; I190-I192 HydrophobicContact CG2-CG1 3.92Å; I190-H253 WeakPolarHBondContact O-CA 3.49Å; I190-L254 HydrophobicContact CB-CB 4.25Å; I190-L254 PolarHBondContact N-O 3.1Å; I190-L254 PolarHBondContact O-N 3.43Å; I190-K256 HydrophobicContact CG1-CD 4.46Å; I190-K256 HydrophobicContact CG1-CG 4.37Å; I190-W263 HydrophobicContact CD1-CB 4.4Å; I190-W263 HydrophobicContact CD1-CD2 3.42Å; I190-W263 VanDerWaalsContact CD1-CD2 3.42Å; I190-W263 HydrophobicContact CD1-CE3 3.22Å; I190-W263 HydrophobicContact CD1-CG 3.96Å; I190-W263 HydrophobicContact CD1-CH2 4.19Å; I190-W263 HydrophobicContact CD1-CZ2 4.34Å; I190-W263 HydrophobicContact CD1-CZ3 3.65Å; I190-I266 HydrophobicContact CD1-CD1 4.02Å; I190-I266 HydrophobicContact CG2-CD1 3.53Å |
| 191 | D | 97.6 | Very high | 93.6 | Very high | 54 Ų | 54 | 61.1 Ų | 61.1 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.1 | 170.8 | -61.4 | -65.2 | 0 | 0 | 0 | 109.9 | W183 T184 H253 | W183-D191 CarbonylContact C-O 3.48Å; W183-D191 WeakPolarHBondContact CA-O 3.5Å; W183-D191 WeakPolarHBondContact CB-O 3.16Å; T184-D191 PolarHBondContact N-O 2.98Å; T184-D191 PolarHBondContact O-N 3.34Å; D191-H253 IonicContact OD1-CE1 2.7Å; D191-H253 IonicContact OD1-CG 3.7Å; D191-H253 IonicContact OD1-ND1 2.81Å; D191-H253 PolarHBondContact OD1-ND1 3.45Å |
| 192 | I | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.8 | -178.4 | -52.9 | 169.3 | 0 | 0 | 0 | 108 | Y181 W183 I190 V194 I216 M227 T251 V252 L254 I266 | Y181-I192 HydrophobicContact CD2-CG2 3.88Å; Y181-I192 HydrophobicContact CG-CG2 4.43Å; W183-I192 HydrophobicContact CB-CB 4.39Å; W183-I192 HydrophobicContact CB-CG1 3.99Å; W183-I192 HydrophobicContact CB-CG2 4.46Å; I190-I192 HydrophobicContact CG2-CD1 4.47Å; I190-I192 HydrophobicContact CG2-CG1 3.92Å; I192-V194 HydrophobicContact CG2-CG2 4.02Å; I192-I216 HydrophobicContact CD1-CD1 4.05Å; I192-M227 HydrophobicContact CD1-CE 4.07Å; I192-M227 HydrophobicContact CD1-SD 4.34Å; I192-M227 HydrophobicContact CG2-CE 4.22Å; I192-M227 HydrophobicContact CG2-SD 4.44Å; I192-T251 CarbonylContact O-C 3.57Å; I192-T251 VanDerWaalsContact O-CA 3.24Å; I192-T251 WeakPolarHBondContact O-CA 3.49Å; I192-V252 HydrophobicContact CB-CB 4.3Å; I192-V252 PolarHBondContact N-O 3.47Å; I192-V252 PolarHBondContact O-N 3.02Å; I192-L254 HydrophobicContact CD1-CD1 3.71Å; I192-L254 HydrophobicContact CD1-CG 4.34Å; I192-I266 HydrophobicContact CD1-CD1 4.33Å; I192-I266 HydrophobicContact CD1-CG1 4.35Å; I192-I266 HydrophobicContact CD1-CG2 3.75Å; I192-I266 HydrophobicContact CG1-CD1 4.38Å |
| 193 | A | 96.8 | Very high | 93.4 | Very high | 16 Ų | 16 | 60.6 Ų | 60.6 | 13% | 0.132 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 115.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y181 K182 P195 V249 | Y181-A193 WeakPolarHBondContact CA-O 3.44Å; Y181-A193 WeakPolarHBondContact CB-O 3.25Å; K182-A193 HydrophobicContact CD-CB 4.5Å; K182-A193 HydrophobicContact CG-CB 3.87Å; K182-A193 PolarHBondContact N-O 2.83Å; K182-A193 PolarHBondContact O-N 3.35Å; A193-P195 WeakPolarHBondContact O-CD 3.49Å; A193-V249 HydrophobicContact CB-CG1 4.03Å |
| 194 | V | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 99 | -179.5 | -170.7 | 0 | 0 | 0 | 0 | 109.4 | I192 F196 V218 V226 V250 | I192-V194 HydrophobicContact CG2-CG2 4.02Å; V194-F196 HydrophobicContact CB-CE2 4.17Å; V194-F196 HydrophobicContact CG1-CD2 4.42Å; V194-F196 HydrophobicContact CG1-CE2 3.72Å; V194-F196 HydrophobicContact CG1-CZ 3.8Å; V194-F196 WeakPolarHBondContact O-CD2 3.49Å; V194-V218 HydrophobicContact CB-CG1 4.39Å; V194-V218 HydrophobicContact CG2-CG1 4.01Å; V194-V226 HydrophobicContact CG1-CB 4.08Å; V194-V226 HydrophobicContact CG1-CG1 3.73Å; V194-V226 HydrophobicContact CG1-CG2 4.49Å; V194-V250 PolarHBondContact N-O 2.82Å; V194-V250 PolarHBondContact O-N 3.49Å |
| 195 | P | 94.6 | Very high | 93.1 | Very high | 75 Ų | 75 | 68.5 Ų | 68.5 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 137.6 | 176.4 | 31 | -33.6 | 0 | 0 | 0 | 111.1 | A193 V249 | A193-P195 WeakPolarHBondContact O-CD 3.49Å; P195-V249 HydrophobicContact CB-CG2 4.33Å |
| 196 | F | 92.8 | Very high | 93 | Very high | 21 Ų | 21 | 70.1 Ų | 70.1 | 9% | 0.092 | 34% | 0.344 | C | S | . | . | trans | -117.8 | 120.8 | 174.4 | -72 | -82.9 | 0 | 0 | 0 | 110.1 | V194 V198 I202 L220 V226 K248 V250 | V194-F196 HydrophobicContact CB-CE2 4.17Å; V194-F196 HydrophobicContact CG1-CD2 4.42Å; V194-F196 HydrophobicContact CG1-CE2 3.72Å; V194-F196 HydrophobicContact CG1-CZ 3.8Å; V194-F196 WeakPolarHBondContact O-CD2 3.49Å; F196-V198 HydrophobicContact CB-CG2 4.48Å; F196-V198 PolarHBondContact O-N 3.26Å; F196-V198 VanDerWaalsContact O-N 3.1Å; F196-I202 HydrophobicContact CB-CD1 3.48Å; F196-I202 VanDerWaalsContact CB-CD1 3.48Å; F196-I202 HydrophobicContact CD2-CD1 3.98Å; F196-I202 HydrophobicContact CG-CD1 3.95Å; F196-L220 HydrophobicContact CD1-CD1 3.69Å; F196-L220 HydrophobicContact CD1-CD2 4.15Å; F196-L220 HydrophobicContact CD1-CG 3.61Å; F196-L220 HydrophobicContact CE1-CD1 4.14Å; F196-L220 HydrophobicContact CE1-CD2 4.24Å; F196-L220 HydrophobicContact CE1-CG 3.6Å; F196-L220 HydrophobicContact CG-CD1 4.37Å; F196-L220 HydrophobicContact CG-CD2 4.38Å; F196-L220 HydrophobicContact CG-CG 4.31Å; F196-L220 HydrophobicContact CZ-CG 4.3Å; F196-V226 HydrophobicContact CD1-CG2 4.32Å; F196-V226 HydrophobicContact CE1-CB 4.48Å; F196-V226 HydrophobicContact CE1-CG2 3.4Å; F196-V226 HydrophobicContact CZ-CG2 3.88Å; F196-K248 PolarHBondContact N-O 2.85Å; F196-V250 HydrophobicContact CD2-CB 4.48Å; F196-V250 HydrophobicContact CD2-CG2 3.87Å; F196-V250 HydrophobicContact CE2-CB 3.94Å; F196-V250 HydrophobicContact CE2-CG2 3.51Å | ||
| 197 | D | 88.8 | Confident | 93.2 | Very high | 173 Ų | 173 | 69.3 Ų | 69.3 | 93% | 0.925 | 34% | 0.339 | S | S | * | . | trans | -83.9 | 83.4 | 174.6 | -172.1 | 21 | 0 | 0 | 0 | 110.7 | ||||
| 198 | V | 88.3 | Confident | 93.6 | Very high | 29 Ų | 29 | 68.5 Ų | 68.5 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | trans | -123.2 | 144.9 | 178.2 | -67.7 | 0 | 0 | 0 | 0 | 111.5 | F196 F200 I202 L220 | F196-V198 HydrophobicContact CB-CG2 4.48Å; F196-V198 PolarHBondContact O-N 3.26Å; F196-V198 VanDerWaalsContact O-N 3.1Å; V198-F200 HydrophobicContact CB-CD1 4.1Å; V198-F200 HydrophobicContact CB-CE1 3.88Å; V198-F200 HydrophobicContact CB-CZ 4.29Å; V198-F200 HydrophobicContact CG1-CE1 4.12Å; V198-F200 HydrophobicContact CG1-CZ 4.37Å; V198-F200 HydrophobicContact CG2-CE1 4.44Å; V198-F200 HydrophobicContact CG2-CZ 4.46Å; V198-F200 WeakPolarHBondContact CG2-O 3.43Å; V198-F200 PolarHBondContact O-N 2.97Å; V198-I202 HydrophobicContact CG2-CD1 3.7Å; V198-I202 HydrophobicContact CG2-CG1 3.53Å; V198-L220 HydrophobicContact CG1-CD1 3.8Å | ||
| 199 | K | 89.4 | Confident | 93.9 | Very high | 225 Ų | 225 | 68 Ų | 68 | 98% | 0.978 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -73.8 | -7.2 | -178.4 | -63.7 | -175.8 | 180 | 179.4 | 0 | 114 | ||
| 200 | F | 90.3 | Very high | 94 | Very high | 110 Ų | 110 | 68.4 Ų | 68.4 | 48% | 0.482 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -121.4 | 161.9 | -177.4 | 64.9 | -90.1 | 0 | 0 | 0 | 110.8 | V198 I202 | V198-F200 HydrophobicContact CB-CD1 4.1Å; V198-F200 HydrophobicContact CB-CE1 3.88Å; V198-F200 HydrophobicContact CB-CZ 4.29Å; V198-F200 HydrophobicContact CG1-CE1 4.12Å; V198-F200 HydrophobicContact CG1-CZ 4.37Å; V198-F200 HydrophobicContact CG2-CE1 4.44Å; V198-F200 HydrophobicContact CG2-CZ 4.46Å; V198-F200 WeakPolarHBondContact CG2-O 3.43Å; V198-F200 PolarHBondContact O-N 2.97Å; F200-I202 HydrophobicContact CE2-CG1 4.46Å; F200-I202 PolarHBondContact O-N 3.37Å |
| 201 | R | 92.1 | Very high | 94 | Very high | 181 Ų | 181 | 69.5 Ų | 69.5 | 68% | 0.683 | 34% | 0.343 | S | S | * | . | trans | -78 | 118 | 175.8 | -166.1 | 179.2 | 179.8 | 155.4 | 1 | 110 | ||||
| 202 | I | 93.4 | Very high | 94 | Very high | 6 Ų | 6 | 71.5 Ų | 71.5 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | trans | -64.3 | 137 | 179.6 | -58.8 | 175.1 | 0 | 0 | 0 | 110 | F196 V198 F200 V207 L220 I244 G247 | F196-I202 HydrophobicContact CB-CD1 3.48Å; F196-I202 VanDerWaalsContact CB-CD1 3.48Å; F196-I202 HydrophobicContact CD2-CD1 3.98Å; F196-I202 HydrophobicContact CG-CD1 3.95Å; V198-I202 HydrophobicContact CG2-CD1 3.7Å; V198-I202 HydrophobicContact CG2-CG1 3.53Å; F200-I202 HydrophobicContact CE2-CG1 4.46Å; F200-I202 PolarHBondContact O-N 3.37Å; I202-V207 HydrophobicContact CG2-CG2 3.23Å; I202-L220 HydrophobicContact CD1-CD2 4.26Å; I202-L220 HydrophobicContact CG2-CD2 4.39Å; I202-I244 HydrophobicContact CB-CG2 4.32Å; I202-I244 HydrophobicContact CG2-CD1 4.16Å; I202-I244 HydrophobicContact CG2-CG2 4.41Å; I202-G247 WeakPolarHBondContact CB-O 3.4Å; I202-G247 WeakPolarHBondContact CG1-O 3.44Å; I202-G247 PolarHBondContact N-O 3.41Å | ||
| 203 | K | 94 | Very high | 93.9 | Very high | 116 Ų | 116 | 78.1 Ų | 78.1 | 50% | 0.504 | 38% | 0.375 | S | S | . | . | trans | -121.3 | 161 | 171.9 | -59.7 | -175.5 | 178.9 | -175.7 | 0 | 110 | R205 D206 | K203-R205 HydrophobicContact CB-CG 4.44Å; K203-R205 PolarHBondContact O-N 3.19Å; K203-D206 WeakPolarHBondContact CB-OD2 3.28Å; K203-D206 PolarHBondContact N-OD2 2.66Å; K203-D206 VanDerWaalsContact N-OD2 3.15Å; K203-D206 WeakPolarHBondContact O-CB 3.5Å; K203-D206 PolarHBondContact O-N 3.31Å | ||
| 204 | G | 92.9 | Very high | 93.9 | Very high | 42 Ų | 42 | 82.1 Ų | 82.1 | 43% | 0.433 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -54.6 | -30 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D206 V207 | G204-D206 PolarHBondContact O-N 3.3Å; G204-V207 PolarHBondContact O-N 2.82Å |
| 205 | R | 93.6 | Very high | 93.9 | Very high | 181 Ų | 181 | 83.9 Ų | 83.9 | 68% | 0.683 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -69.5 | -20 | 176.6 | 74 | -173.4 | -179.3 | -174.1 | 1.5 | 114.5 | K203 K221 | K203-R205 HydrophobicContact CB-CG 4.44Å; K203-R205 PolarHBondContact O-N 3.19Å; R205-K221 WeakPolarHBondContact O-CD 3.38Å |
| 206 | D | 92.9 | Very high | 94.1 | Very high | 41 Ų | 41 | 80.5 Ų | 80.5 | 22% | 0.219 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -94.3 | -7.5 | -176.2 | -49.6 | -46.9 | 0 | 0 | 0 | 111.3 | K203 G204 L220 K221 | K203-D206 WeakPolarHBondContact CB-OD2 3.28Å; K203-D206 PolarHBondContact N-OD2 2.66Å; K203-D206 VanDerWaalsContact N-OD2 3.15Å; K203-D206 WeakPolarHBondContact O-CB 3.5Å; K203-D206 PolarHBondContact O-N 3.31Å; G204-D206 PolarHBondContact O-N 3.3Å; D206-L220 CarbonylContact O-C 3.56Å; D206-L220 WeakPolarHBondContact O-CA 3.3Å; D206-K221 PolarHBondContact O-N 3.32Å |
| 207 | V | 95.4 | Very high | 94.2 | Very high | 13 Ų | 13 | 82.8 Ų | 82.8 | 8% | 0.079 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 146 | -177.2 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | I202 G204 V209 L220 W242 I244 V250 | I202-V207 HydrophobicContact CG2-CG2 3.23Å; G204-V207 PolarHBondContact O-N 2.82Å; V207-V209 HydrophobicContact CG1-CG2 3.54Å; V207-L220 HydrophobicContact CG2-CD2 4.38Å; V207-W242 HydrophobicContact CB-CZ3 4.45Å; V207-W242 HydrophobicContact CG1-CZ3 4.37Å; V207-I244 HydrophobicContact CG2-CD1 4.05Å; V207-V250 HydrophobicContact CG1-CG1 4.33Å; V207-V250 HydrophobicContact CG1-CG2 3.96Å; V207-V250 HydrophobicContact CG2-CG2 4.05Å |
| 208 | V | 96.3 | Very high | 94.6 | Very high | 56 Ų | 56 | 74.6 Ų | 74.6 | 34% | 0.339 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 109.2 | 168.6 | -179.1 | 0 | 0 | 0 | 0 | 107 | V218 G219 K221 | V208-V218 CarbonylContact O-C 3.58Å; V208-V218 WeakPolarHBondContact O-CA 3.36Å; V208-G219 PolarHBondContact N-O 2.88Å; V208-G219 PolarHBondContact O-N 3.49Å; V208-K221 HydrophobicContact CG2-CB 4.04Å; V208-K221 HydrophobicContact CG2-CG 4.33Å |
| 209 | V | 96.9 | Very high | 95 | Very high | 25 Ų | 25 | 73.3 Ų | 73.3 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 114.3 | 170.4 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | V207 I211 K217 V218 W242 V250 V252 | V207-V209 HydrophobicContact CG1-CG2 3.54Å; V209-I211 HydrophobicContact CG1-CD1 4.11Å; V209-I211 HydrophobicContact CG1-CG1 3.9Å; V209-K217 CarbonylContact C-O 3.51Å; V209-K217 VanDerWaalsContact CA-O 3.31Å; V209-K217 WeakPolarHBondContact CA-O 3.36Å; V209-V218 HydrophobicContact CG1-CG2 4.28Å; V209-V218 HydrophobicContact CG2-CG1 4.2Å; V209-V218 HydrophobicContact CG2-CG2 4.5Å; V209-W242 HydrophobicContact CB-CD2 3.89Å; V209-W242 HydrophobicContact CB-CE3 4.5Å; V209-W242 HydrophobicContact CB-CG 3.9Å; V209-W242 HydrophobicContact CG1-CB 4Å; V209-W242 HydrophobicContact CG1-CD2 4.23Å; V209-W242 HydrophobicContact CG1-CG 3.68Å; V209-W242 HydrophobicContact CG2-CD2 3.8Å; V209-W242 HydrophobicContact CG2-CE3 3.92Å; V209-W242 HydrophobicContact CG2-CG 4.06Å; V209-W242 HydrophobicContact CG2-CZ3 4.42Å; V209-V250 HydrophobicContact CG2-CG1 3.92Å; V209-V252 HydrophobicContact CG1-CG2 4.27Å |
| 210 | D | 96.9 | Very high | 95.2 | Very high | 73 Ų | 73 | 63.7 Ų | 63.7 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 115.6 | 174.1 | -176.1 | 12.4 | 0 | 0 | 0 | 108.2 | Q212 I216 K217 | D210-Q212 PolarHBondContact OD2-NE2 3.31Å; D210-I216 CarbonylContact O-C 3.55Å; D210-I216 WeakPolarHBondContact O-CA 3.49Å; D210-K217 HydrophobicContact CB-CB 4.2Å; D210-K217 PolarHBondContact N-O 3.42Å; D210-K217 PolarHBondContact O-N 2.89Å |
| 211 | I | 97.6 | Very high | 95.3 | Very high | 23 Ų | 23 | 65.3 Ų | 65.3 | 12% | 0.118 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 116.1 | -179.9 | -54.8 | 170 | 0 | 0 | 0 | 106.4 | V209 V235 V237 V252 L254 | V209-I211 HydrophobicContact CG1-CD1 4.11Å; V209-I211 HydrophobicContact CG1-CG1 3.9Å; I211-V235 HydrophobicContact CG2-CG2 4.33Å; I211-V237 WeakPolarHBondContact O-CG1 3.41Å; I211-V252 HydrophobicContact CD1-CG1 3.7Å; I211-V252 HydrophobicContact CG1-CG1 4.32Å; I211-L254 HydrophobicContact CD1-CD2 4.18Å; I211-L254 HydrophobicContact CG1-CD2 4.42Å; I211-L254 HydrophobicContact CG2-CD2 3.69Å |
| 212 | Q | 97.7 | Very high | 95.2 | Very high | 95 Ų | 95 | 60.7 Ų | 60.7 | 44% | 0.444 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 164.8 | 174.4 | -58.6 | -175.1 | -6.3 | 0 | 0 | 109.3 | D210 R214 S215 | D210-Q212 PolarHBondContact OD2-NE2 3.31Å; Q212-R214 PolarHBondContact O-N 3.36Å; Q212-S215 WeakPolarHBondContact CB-OG 3.43Å; Q212-S215 PolarHBondContact N-O 2.85Å; Q212-S215 PolarHBondContact O-N 3.49Å; Q212-S215 VanDerWaalsContact O-O 3.07Å; Q212-S215 PolarHBondContact OE1-OG 3.29Å; Q212-S215 VanDerWaalsContact OE1-OG 3.06Å |
| 213 | R | 95.4 | Very high | 95.1 | Very high | 140 Ų | 140 | 66.4 Ų | 66.4 | 53% | 0.528 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -34.3 | -174.8 | -173.3 | 179.8 | -178.5 | 112.1 | 1.7 | 113.7 | E234 V235 V237 I257 | R213-E234 HydrophobicContact CG-CB 4.21Å; R213-E234 HydrophobicContact CG-CG 4.4Å; R213-E234 IonicContact CZ-OE2 3.38Å; R213-E234 IonicContact NE-OE1 3.99Å; R213-E234 IonicContact NE-OE2 2.63Å; R213-E234 PolarHBondContact NE-OE2 2.96Å; R213-E234 IonicContact NH2-OE2 2.84Å; R213-E234 PolarHBondContact NH2-OE2 3.38Å; R213-E234 CarbonylContact O-C 3.51Å; R213-E234 VanDerWaalsContact O-CA 3.23Å; R213-E234 WeakPolarHBondContact O-CA 3.5Å; R213-V235 PolarHBondContact O-N 3.07Å; R213-V237 HydrophobicContact CB-CG2 4.38Å; R213-V237 VanDerWaalsContact N-CG2 3.34Å; R213-I257 HydrophobicContact CG-CD1 4.49Å |
| 214 | R | 96.3 | Very high | 95 | Very high | 99 Ų | 99 | 66 Ų | 66 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.3 | 16.5 | -178 | -148.7 | 174.3 | -159.4 | -96.6 | -6.9 | 113.6 | Q212 Q230 L231 E234 | Q212-R214 PolarHBondContact O-N 3.36Å; R214-Q230 HydrophobicContact CG-CG 4.23Å; R214-Q230 CarbonylContact O-C 3.52Å; R214-Q230 WeakPolarHBondContact O-CA 3.44Å; R214-Q230 VanDerWaalsContact O-CG 3.31Å; R214-Q230 WeakPolarHBondContact O-CG 3.38Å; R214-L231 PolarHBondContact O-N 2.63Å; R214-E234 HydrophobicContact CG-CG 4.48Å |
| 215 | S | 97.1 | Very high | 95 | Very high | 38 Ų | 38 | 66 Ų | 66 | 27% | 0.266 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 151.7 | 178.8 | 49.1 | 0 | 0 | 0 | 0 | 111.2 | Q212 G229 | Q212-S215 WeakPolarHBondContact CB-OG 3.43Å; Q212-S215 PolarHBondContact N-O 2.85Å; Q212-S215 PolarHBondContact O-N 3.49Å; Q212-S215 VanDerWaalsContact O-O 3.07Å; Q212-S215 PolarHBondContact OE1-OG 3.29Å; Q212-S215 VanDerWaalsContact OE1-OG 3.06Å; S215-G229 VanDerWaalsContact CA-O 3.3Å; S215-G229 WeakPolarHBondContact CA-O 3.46Å; S215-G229 WeakPolarHBondContact CB-O 3.27Å |
| 216 | I | 97.2 | Very high | 95 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 144 | -178.6 | -169.4 | 165.1 | 0 | 0 | 0 | 109.9 | I192 D210 V218 M227 E228 G229 L231 V252 L254 V267 | I192-I216 HydrophobicContact CD1-CD1 4.05Å; D210-I216 CarbonylContact O-C 3.55Å; D210-I216 WeakPolarHBondContact O-CA 3.49Å; I216-V218 HydrophobicContact CD1-CG2 4.24Å; I216-V218 HydrophobicContact CG1-CG2 4.06Å; I216-M227 HydrophobicContact CD1-CE 3.4Å; I216-M227 HydrophobicContact CG1-CE 3.8Å; I216-M227 HydrophobicContact CG2-CE 4.12Å; I216-M227 HydrophobicContact CG2-CG 4.24Å; I216-M227 HydrophobicContact CG2-SD 4.17Å; I216-E228 WeakPolarHBondContact O-CA 3.32Å; I216-G229 PolarHBondContact N-O 3.04Å; I216-G229 PolarHBondContact O-N 3.02Å; I216-G229 VanDerWaalsContact O-N 3.1Å; I216-L231 HydrophobicContact CB-CD2 3.89Å; I216-L231 HydrophobicContact CB-CG 4.25Å; I216-L231 HydrophobicContact CG2-CD2 3.56Å; I216-L231 HydrophobicContact CG2-CG 4.2Å; I216-V252 HydrophobicContact CD1-CG1 4.17Å; I216-L254 HydrophobicContact CD1-CD1 4.08Å; I216-L254 HydrophobicContact CD1-CD2 4.22Å; I216-V267 HydrophobicContact CG2-CG1 3.68Å |
| 217 | K | 96.8 | Very high | 95 | Very high | 69 Ų | 69 | 57.8 Ų | 57.8 | 30% | 0.3 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 124.1 | 171.5 | -173.9 | 179.6 | -172.5 | 129.7 | 0 | 109.7 | V209 D210 P225 M227 E228 | V209-K217 CarbonylContact C-O 3.51Å; V209-K217 VanDerWaalsContact CA-O 3.31Å; V209-K217 WeakPolarHBondContact CA-O 3.36Å; D210-K217 HydrophobicContact CB-CB 4.2Å; D210-K217 PolarHBondContact N-O 3.42Å; D210-K217 PolarHBondContact O-N 2.89Å; K217-P225 HydrophobicContact CG-CB 3.97Å; K217-P225 HydrophobicContact CG-CG 4.48Å; K217-M227 CarbonylContact C-O 3.58Å; K217-M227 VanDerWaalsContact CA-O 3.29Å; K217-M227 WeakPolarHBondContact CA-O 3.2Å; K217-E228 HydrophobicContact CG-CB 4.42Å; K217-E228 HydrophobicContact CG-CG 4.36Å; K217-E228 IonicContact NZ-OE1 3.17Å; K217-E228 PolarHBondContact NZ-OE1 3.26Å; K217-E228 IonicContact NZ-OE2 3.58Å |
| 218 | V | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 126.8 | 178 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | V194 V208 V209 I216 P225 V226 M227 V250 V252 | V194-V218 HydrophobicContact CB-CG1 4.39Å; V194-V218 HydrophobicContact CG2-CG1 4.01Å; V208-V218 CarbonylContact O-C 3.58Å; V208-V218 WeakPolarHBondContact O-CA 3.36Å; V209-V218 HydrophobicContact CG1-CG2 4.28Å; V209-V218 HydrophobicContact CG2-CG1 4.2Å; V209-V218 HydrophobicContact CG2-CG2 4.5Å; I216-V218 HydrophobicContact CD1-CG2 4.24Å; I216-V218 HydrophobicContact CG1-CG2 4.06Å; V218-P225 CarbonylContact O-C 3.56Å; V218-V226 PolarHBondContact O-N 3.44Å; V218-M227 HydrophobicContact CB-CB 4.4Å; V218-M227 HydrophobicContact CB-CE 3.97Å; V218-M227 HydrophobicContact CG2-CE 3.39Å; V218-M227 PolarHBondContact N-O 3.05Å; V218-M227 PolarHBondContact O-N 3.17Å; V218-M227 VanDerWaalsContact O-N 3.14Å; V218-V250 HydrophobicContact CG1-CG1 4.19Å; V218-V252 HydrophobicContact CG2-CG2 3.99Å |
| 219 | G | 95.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | 179.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V208 | V208-G219 PolarHBondContact N-O 2.88Å; V208-G219 PolarHBondContact O-N 3.49Å |
| 220 | L | 94 | Very high | 94.8 | Very high | 22 Ų | 22 | 63.7 Ų | 63.7 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 142.6 | 170.4 | -67.4 | 174.6 | 0 | 0 | 0 | 110.5 | F196 V198 I202 D206 V207 G222 H223 | F196-L220 HydrophobicContact CD1-CD1 3.69Å; F196-L220 HydrophobicContact CD1-CD2 4.15Å; F196-L220 HydrophobicContact CD1-CG 3.61Å; F196-L220 HydrophobicContact CE1-CD1 4.14Å; F196-L220 HydrophobicContact CE1-CD2 4.24Å; F196-L220 HydrophobicContact CE1-CG 3.6Å; F196-L220 HydrophobicContact CG-CD1 4.37Å; F196-L220 HydrophobicContact CG-CD2 4.38Å; F196-L220 HydrophobicContact CG-CG 4.31Å; F196-L220 HydrophobicContact CZ-CG 4.3Å; V198-L220 HydrophobicContact CG1-CD1 3.8Å; I202-L220 HydrophobicContact CD1-CD2 4.26Å; I202-L220 HydrophobicContact CG2-CD2 4.39Å; D206-L220 CarbonylContact O-C 3.56Å; D206-L220 WeakPolarHBondContact O-CA 3.3Å; V207-L220 HydrophobicContact CG2-CD2 4.38Å; L220-G222 PolarHBondContact O-N 3.14Å; L220-H223 HydrophobicContact CB-CB 4.19Å; L220-H223 PolarHBondContact O-N 2.83Å |
| 221 | K | 93.4 | Very high | 94.8 | Very high | 144 Ų | 144 | 60.2 Ų | 60.2 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 124.6 | 178.2 | -171.3 | 173.9 | -177.5 | 174 | 0 | 110.3 | R205 D206 V208 H223 | R205-K221 WeakPolarHBondContact O-CD 3.38Å; D206-K221 PolarHBondContact O-N 3.32Å; V208-K221 HydrophobicContact CG2-CB 4.04Å; V208-K221 HydrophobicContact CG2-CG 4.33Å; K221-H223 VanDerWaalsContact C-N 3.33Å |
| 222 | G | 89.9 | Confident | 94.7 | Very high | 84 Ų | 84 | 61.9 Ų | 61.9 | 87% | 0.866 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | 0.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | L220 | L220-G222 PolarHBondContact O-N 3.14Š|
| 223 | H | 90.9 | Very high | 94.6 | Very high | 127 Ų | 127 | 59.3 Ų | 59.3 | 59% | 0.588 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -113.7 | 161 | 173.6 | -67.8 | -88.5 | 0 | 0 | 0 | 110.8 | L220 K221 | L220-H223 HydrophobicContact CB-CB 4.19Å; L220-H223 PolarHBondContact O-N 2.83Å; K221-H223 VanDerWaalsContact C-N 3.33Å |
| 224 | P | 91.7 | Very high | 94.7 | Very high | 108 Ų | 108 | 55.6 Ų | 55.6 | 70% | 0.701 | 30% | 0.302 | S | S | * | . | trans | -54.7 | 138.1 | 168.6 | -24.3 | 34.7 | 0 | 0 | 0 | 110.8 | ||||
| 225 | P | 93.3 | Very high | 94.8 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | trans | -64 | 140.5 | 176.3 | 25.1 | -29.3 | 0 | 0 | 0 | 110.2 | K217 V218 E228 | K217-P225 HydrophobicContact CG-CB 3.97Å; K217-P225 HydrophobicContact CG-CG 4.48Å; V218-P225 CarbonylContact O-C 3.56Å; P225-E228 HydrophobicContact CB-CB 4.08Å; P225-E228 HydrophobicContact CG-CB 3.78Å; P225-E228 HydrophobicContact CG-CG 4.41Å; P225-E228 WeakPolarHBondContact CG-OE2 3.27Å | ||
| 226 | V | 92.8 | Very high | 94.8 | Very high | 45 Ų | 45 | 53.6 Ų | 53.6 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -74.9 | -34.8 | 178.6 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | N180 V194 F196 V218 | N180-V226 HydrophobicContact CB-CG1 3.72Å; V194-V226 HydrophobicContact CG1-CB 4.08Å; V194-V226 HydrophobicContact CG1-CG1 3.73Å; V194-V226 HydrophobicContact CG1-CG2 4.49Å; F196-V226 HydrophobicContact CD1-CG2 4.32Å; F196-V226 HydrophobicContact CE1-CB 4.48Å; F196-V226 HydrophobicContact CE1-CG2 3.4Å; F196-V226 HydrophobicContact CZ-CG2 3.88Å; V218-V226 PolarHBondContact O-N 3.44Å |
| 227 | M | 92.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 122.3 | 175.7 | -178.3 | 177.8 | 56.5 | 0 | 0 | 107.9 | Y181 I192 I216 K217 V218 I266 V267 | Y181-M227 HydrophobicContact CD1-CB 4.43Å; Y181-M227 HydrophobicContact CD2-SD 4.46Å; Y181-M227 HydrophobicContact CE1-CB 4.02Å; Y181-M227 HydrophobicContact CE1-CG 4.05Å; Y181-M227 HydrophobicContact CE1-SD 4.14Å; Y181-M227 HydrophobicContact CE2-SD 3.93Å; I192-M227 HydrophobicContact CD1-CE 4.07Å; I192-M227 HydrophobicContact CD1-SD 4.34Å; I192-M227 HydrophobicContact CG2-CE 4.22Å; I192-M227 HydrophobicContact CG2-SD 4.44Å; I216-M227 HydrophobicContact CD1-CE 3.4Å; I216-M227 HydrophobicContact CG1-CE 3.8Å; I216-M227 HydrophobicContact CG2-CE 4.12Å; I216-M227 HydrophobicContact CG2-CG 4.24Å; I216-M227 HydrophobicContact CG2-SD 4.17Å; K217-M227 CarbonylContact C-O 3.58Å; K217-M227 VanDerWaalsContact CA-O 3.29Å; K217-M227 WeakPolarHBondContact CA-O 3.2Å; V218-M227 HydrophobicContact CB-CB 4.4Å; V218-M227 HydrophobicContact CB-CE 3.97Å; V218-M227 HydrophobicContact CG2-CE 3.39Å; V218-M227 PolarHBondContact N-O 3.05Å; V218-M227 PolarHBondContact O-N 3.17Å; V218-M227 VanDerWaalsContact O-N 3.14Å; M227-I266 HydrophobicContact SD-CG2 3.85Å; M227-V267 HydrophobicContact CG-CG1 4.23Å |
| 228 | E | 94.1 | Very high | 94.7 | Very high | 106 Ų | 106 | 60.6 Ų | 60.6 | 50% | 0.495 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 125.1 | 174 | 179.2 | 168.2 | -140.8 | 0 | 0 | 108.8 | I216 K217 P225 | I216-E228 WeakPolarHBondContact O-CA 3.32Å; K217-E228 HydrophobicContact CG-CB 4.42Å; K217-E228 HydrophobicContact CG-CG 4.36Å; K217-E228 IonicContact NZ-OE1 3.17Å; K217-E228 PolarHBondContact NZ-OE1 3.26Å; K217-E228 IonicContact NZ-OE2 3.58Å; P225-E228 HydrophobicContact CB-CB 4.08Å; P225-E228 HydrophobicContact CG-CB 3.78Å; P225-E228 HydrophobicContact CG-CG 4.41Å; P225-E228 WeakPolarHBondContact CG-OE2 3.27Å |
| 229 | G | 94.4 | Very high | 94.7 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.6 | 178.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | S215 I216 | S215-G229 VanDerWaalsContact CA-O 3.3Å; S215-G229 WeakPolarHBondContact CA-O 3.46Å; S215-G229 WeakPolarHBondContact CB-O 3.27Å; I216-G229 PolarHBondContact N-O 3.04Å; I216-G229 PolarHBondContact O-N 3.02Å; I216-G229 VanDerWaalsContact O-N 3.1Å |
| 230 | Q | 97.1 | Very high | 94.7 | Very high | 92 Ų | 92 | 65.3 Ų | 65.3 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 129 | 170.9 | -170.9 | 170.7 | 34.6 | 0 | 0 | 109.1 | R214 V267 T268 | R214-Q230 HydrophobicContact CG-CG 4.23Å; R214-Q230 CarbonylContact O-C 3.52Å; R214-Q230 WeakPolarHBondContact O-CA 3.44Å; R214-Q230 VanDerWaalsContact O-CG 3.31Å; R214-Q230 WeakPolarHBondContact O-CG 3.38Å; Q230-V267 CarbonylContact O-C 3.49Å; Q230-V267 VanDerWaalsContact O-CA 3.25Å; Q230-V267 WeakPolarHBondContact O-CA 3.41Å; Q230-T268 HydrophobicContact CB-CG2 4.33Å; Q230-T268 PolarHBondContact O-N 2.98Å |
| 231 | L | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -64.8 | 152.1 | 174.7 | -69.4 | 170.2 | 0 | 0 | 0 | 110.5 | R214 I216 N233 V235 L254 W263 I266 | R214-L231 PolarHBondContact O-N 2.63Å; I216-L231 HydrophobicContact CB-CD2 3.89Å; I216-L231 HydrophobicContact CB-CG 4.25Å; I216-L231 HydrophobicContact CG2-CD2 3.56Å; I216-L231 HydrophobicContact CG2-CG 4.2Å; L231-N233 VanDerWaalsContact C-N 3.31Å; L231-N233 WeakPolarHBondContact CB-O 3.38Å; L231-N233 PolarHBondContact O-N 3.24Å; L231-V235 HydrophobicContact CD1-CB 4.43Å; L231-V235 HydrophobicContact CD1-CG1 3.92Å; L231-V235 HydrophobicContact CD1-CG2 3.62Å; L231-L254 HydrophobicContact CD2-CD1 4.1Å; L231-W263 HydrophobicContact CB-CH2 4.05Å; L231-W263 HydrophobicContact CB-CZ3 4.16Å; L231-W263 HydrophobicContact CD2-CH2 4.49Å; L231-W263 HydrophobicContact CD2-CZ3 4.12Å; L231-I266 CarbonylContact C-O 3.59Å; L231-I266 WeakPolarHBondContact CA-O 3.43Å; L231-I266 HydrophobicContact CD2-CG2 4.04Å |
| 232 | F | 95.2 | Very high | 95 | Very high | 58 Ų | 58 | 65.3 Ų | 65.3 | 25% | 0.254 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -55.4 | -46.3 | 175.1 | 175.4 | -93.3 | 0 | 0 | 0 | 111.9 | W263 S264 R265 I266 | F232-W263 HydrophobicContact CB-CD2 3.92Å; F232-W263 HydrophobicContact CB-CE3 3.62Å; F232-W263 HydrophobicContact CB-CG 4.43Å; F232-W263 HydrophobicContact CB-CZ3 3.98Å; F232-W263 HydrophobicContact CD1-CB 4.01Å; F232-W263 AromaticContact CD1-CD1 3.71Å; F232-W263 AromaticContact CD1-CD2 3.7Å; F232-W263 HydrophobicContact CD1-CD2 3.7Å; F232-W263 AromaticContact CD1-CE2 3.98Å; F232-W263 HydrophobicContact CD1-CE3 4.31Å; F232-W263 AromaticContact CD1-CG 3.55Å; F232-W263 HydrophobicContact CD1-CG 3.55Å; F232-W263 AromaticContact CD1-NE1 3.95Å; F232-W263 HydrophobicContact CE1-CB 4.48Å; F232-W263 HydrophobicContact CE1-CG 4.18Å; F232-W263 HydrophobicContact CG-CB 4.44Å; F232-W263 HydrophobicContact CG-CD2 4.2Å; F232-W263 HydrophobicContact CG-CE3 4.37Å; F232-W263 HydrophobicContact CG-CG 4.25Å; F232-S264 VanDerWaalsContact CE2-OG 3.31Å; F232-S264 WeakPolarHBondContact CE2-OG 3.44Å; F232-R265 HydrophobicContact CB-CG 4.5Å; F232-R265 VanDerWaalsContact CB-O 3.25Å; F232-R265 WeakPolarHBondContact CB-O 3.36Å; F232-R265 HydrophobicContact CD2-CG 3.99Å; F232-I266 PolarHBondContact N-O 3.02Å |
| 233 | N | 96.1 | Very high | 95.3 | Very high | 41 Ų | 41 | 65.1 Ų | 65.1 | 22% | 0.219 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -142.4 | -175.6 | 173.5 | -151.1 | -9 | 0 | 0 | 0 | 112 | L231 E261 W263 | L231-N233 VanDerWaalsContact C-N 3.31Å; L231-N233 WeakPolarHBondContact CB-O 3.38Å; L231-N233 PolarHBondContact O-N 3.24Å; N233-E261 PolarHBondContact ND2-OE2 2.95Å; N233-W263 HydrophobicContact CB-CH2 4.47Å; N233-W263 HydrophobicContact CB-CZ2 3.65Å; N233-W263 WeakPolarHBondContact O-CH2 3.47Å; N233-W263 WeakPolarHBondContact O-CZ2 3.43Å |
| 234 | E | 96.9 | Very high | 95.5 | Very high | 62 Ų | 62 | 61.2 Ų | 61.2 | 29% | 0.29 | 32% | 0.317 | S | S | . | . | trans | -78.6 | 140.2 | -175.2 | -56.6 | -172.1 | 165.9 | 0 | 0 | 113.4 | R213 R214 I257 | R213-E234 HydrophobicContact CG-CB 4.21Å; R213-E234 HydrophobicContact CG-CG 4.4Å; R213-E234 IonicContact CZ-OE2 3.38Å; R213-E234 IonicContact NE-OE1 3.99Å; R213-E234 IonicContact NE-OE2 2.63Å; R213-E234 PolarHBondContact NE-OE2 2.96Å; R213-E234 IonicContact NH2-OE2 2.84Å; R213-E234 PolarHBondContact NH2-OE2 3.38Å; R213-E234 CarbonylContact O-C 3.51Å; R213-E234 VanDerWaalsContact O-CA 3.23Å; R213-E234 WeakPolarHBondContact O-CA 3.5Å; R214-E234 HydrophobicContact CG-CG 4.48Å; E234-I257 HydrophobicContact CB-CB 4.37Å; E234-I257 HydrophobicContact CB-CD1 3.76Å; E234-I257 HydrophobicContact CB-CG1 4.21Å; E234-I257 PolarHBondContact O-N 3.32Å | ||
| 235 | V | 97.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -117.3 | 150.9 | 176.6 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | I211 R213 L231 V237 L254 E255 W263 | I211-V235 HydrophobicContact CG2-CG2 4.33Å; R213-V235 PolarHBondContact O-N 3.07Å; L231-V235 HydrophobicContact CD1-CB 4.43Å; L231-V235 HydrophobicContact CD1-CG1 3.92Å; L231-V235 HydrophobicContact CD1-CG2 3.62Å; V235-V237 PolarHBondContact O-N 3.49Å; V235-L254 HydrophobicContact CG1-CB 4.08Å; V235-L254 HydrophobicContact CG1-CD1 4.43Å; V235-E255 CarbonylContact C-O 3.13Å; V235-E255 WeakPolarHBondContact CA-O 3.47Å; V235-E255 WeakPolarHBondContact CB-O 3.25Å; V235-W263 HydrophobicContact CG1-CH2 3.7Å; V235-W263 HydrophobicContact CG1-CZ2 4.12Å |
| 236 | K | 97.4 | Very high | 95.3 | Very high | 94 Ų | 94 | 64.6 Ų | 64.6 | 41% | 0.409 | 33% | 0.327 | S | S | . | . | trans | -86 | 95.8 | 174.3 | -169.9 | 169.7 | 176 | -169.2 | 0 | 108.5 | E238 E239 S240 E255 I257 | K236-E238 VanDerWaalsContact C-N 3.26Å; K236-E238 PolarHBondContact O-N 2.97Å; K236-E239 HydrophobicContact CD-CB 4.38Å; K236-E239 HydrophobicContact CD-CG 4.04Å; K236-E239 WeakPolarHBondContact CD-OE2 3.37Å; K236-E239 VanDerWaalsContact CE-OE1 3.31Å; K236-E239 WeakPolarHBondContact CE-OE1 3.14Å; K236-E239 HydrophobicContact CG-CB 4.3Å; K236-E239 HydrophobicContact CG-CG 4.35Å; K236-E239 VanDerWaalsContact NZ-CD 3.28Å; K236-E239 IonicContact NZ-OE1 3.22Å; K236-E239 PolarHBondContact NZ-OE1 3.48Å; K236-E239 IonicContact NZ-OE2 3.57Å; K236-E239 PolarHBondContact O-N 2.97Å; K236-S240 PolarHBondContact O-N 3.44Å; K236-S240 VanDerWaalsContact O-N 3.14Å; K236-S240 PolarHBondContact O-OG 3.38Å; K236-E255 HydrophobicContact CB-CB 4.32Å; K236-E255 HydrophobicContact CB-CG 4.26Å; K236-E255 PolarHBondContact N-O 3.29Å; K236-I257 HydrophobicContact CB-CG1 4.25Å | ||
| 237 | V | 96.3 | Very high | 95 | Very high | 47 Ų | 47 | 62.5 Ų | 62.5 | 29% | 0.285 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -54.9 | -41.2 | -173.7 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | I211 R213 V235 E239 S240 | I211-V237 WeakPolarHBondContact O-CG1 3.41Å; R213-V237 HydrophobicContact CB-CG2 4.38Å; R213-V237 VanDerWaalsContact N-CG2 3.34Å; V235-V237 PolarHBondContact O-N 3.49Å; V237-E239 PolarHBondContact O-N 3.44Å; V237-S240 WeakPolarHBondContact O-CB 3.39Å; V237-S240 PolarHBondContact O-N 2.91Å |
| 238 | E | 96.5 | Very high | 95 | Very high | 173 Ų | 173 | 68.2 Ų | 68.2 | 81% | 0.808 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -68.8 | -18.9 | -177.7 | -47.1 | -53.3 | 169.1 | 0 | 0 | 114.3 | K236 | K236-E238 VanDerWaalsContact C-N 3.26Å; K236-E238 PolarHBondContact O-N 2.97Å |
| 239 | E | 95.9 | Very high | 95 | Very high | 87 Ų | 87 | 65.2 Ų | 65.2 | 41% | 0.407 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -104.1 | 1.1 | 174.4 | -70 | -179.3 | -170.7 | 0 | 0 | 111.7 | K236 V237 E255 | K236-E239 HydrophobicContact CD-CB 4.38Å; K236-E239 HydrophobicContact CD-CG 4.04Å; K236-E239 WeakPolarHBondContact CD-OE2 3.37Å; K236-E239 VanDerWaalsContact CE-OE1 3.31Å; K236-E239 WeakPolarHBondContact CE-OE1 3.14Å; K236-E239 HydrophobicContact CG-CB 4.3Å; K236-E239 HydrophobicContact CG-CG 4.35Å; K236-E239 VanDerWaalsContact NZ-CD 3.28Å; K236-E239 IonicContact NZ-OE1 3.22Å; K236-E239 PolarHBondContact NZ-OE1 3.48Å; K236-E239 IonicContact NZ-OE2 3.57Å; K236-E239 PolarHBondContact O-N 2.97Å; V237-E239 PolarHBondContact O-N 3.44Å; E239-E255 HydrophobicContact CB-CB 3.75Å; E239-E255 HydrophobicContact CB-CG 3.91Å; E239-E255 WeakPolarHBondContact OE2-CG 3.41Å |
| 240 | S | 96 | Very high | 95.1 | Very high | 16 Ų | 16 | 64.3 Ų | 64.3 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | trans | -92.7 | 143.1 | 174.9 | -56 | 0 | 0 | 0 | 0 | 109.5 | K236 V237 H253 E255 | K236-S240 PolarHBondContact O-N 3.44Å; K236-S240 VanDerWaalsContact O-N 3.14Å; K236-S240 PolarHBondContact O-OG 3.38Å; V237-S240 WeakPolarHBondContact O-CB 3.39Å; V237-S240 PolarHBondContact O-N 2.91Å; S240-H253 CarbonylContact C-O 3.59Å; S240-H253 VanDerWaalsContact CA-O 3.26Å; S240-H253 WeakPolarHBondContact CA-O 3.13Å; S240-H253 VanDerWaalsContact CB-O 3.3Å; S240-H253 WeakPolarHBondContact CB-O 3.32Å; S240-E255 PolarHBondContact OG-N 2.94Å | ||
| 241 | S | 96.4 | Very high | 95.1 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 167.9 | -177.2 | 68.3 | 0 | 0 | 0 | 0 | 111.4 | H253 | S241-H253 PolarHBondContact N-O 3Å; S241-H253 PolarHBondContact O-N 2.97Å |
| 242 | W | 97.6 | Very high | 95.1 | Very high | 101 Ų | 101 | 61.1 Ų | 61.1 | 38% | 0.383 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 152.2 | 173.6 | 66.7 | -86.3 | 0 | 0 | 0 | 110.6 | V207 V209 I244 V250 T251 V252 | V207-W242 HydrophobicContact CB-CZ3 4.45Å; V207-W242 HydrophobicContact CG1-CZ3 4.37Å; V209-W242 HydrophobicContact CB-CD2 3.89Å; V209-W242 HydrophobicContact CB-CE3 4.5Å; V209-W242 HydrophobicContact CB-CG 3.9Å; V209-W242 HydrophobicContact CG1-CB 4Å; V209-W242 HydrophobicContact CG1-CD2 4.23Å; V209-W242 HydrophobicContact CG1-CG 3.68Å; V209-W242 HydrophobicContact CG2-CD2 3.8Å; V209-W242 HydrophobicContact CG2-CE3 3.92Å; V209-W242 HydrophobicContact CG2-CG 4.06Å; V209-W242 HydrophobicContact CG2-CZ3 4.42Å; W242-I244 HydrophobicContact CE3-CG1 4.4Å; W242-I244 HydrophobicContact CZ3-CD1 4.03Å; W242-I244 HydrophobicContact CZ3-CG1 3.86Å; W242-V250 HydrophobicContact CE3-CG1 4.35Å; W242-T251 CarbonylContact C-O 3.56Å; W242-T251 WeakPolarHBondContact CA-O 3.45Å; W242-T251 WeakPolarHBondContact CB-O 3.18Å; W242-V252 HydrophobicContact CB-CB 4.46Å; W242-V252 HydrophobicContact CB-CG1 4.48Å; W242-V252 HydrophobicContact CB-CG2 4.02Å |
| 243 | L | 96.3 | Very high | 95.3 | Very high | 80 Ų | 80 | 60.3 Ų | 60.3 | 42% | 0.419 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 167.4 | -178.1 | 58.9 | 85.2 | 0 | 0 | 0 | 110.6 | D245 V250 T251 | L243-D245 HydrophobicContact CD1-CB 4.42Å; L243-D245 WeakPolarHBondContact CD1-OD1 3.07Å; L243-D245 VanDerWaalsContact CD1-OD2 3.26Å; L243-D245 WeakPolarHBondContact CD1-OD2 3.14Å; L243-V250 WeakPolarHBondContact O-CA 3.29Å; L243-T251 PolarHBondContact N-O 3.22Å; L243-T251 PolarHBondContact O-N 3.12Å |
| 244 | I | 95.9 | Very high | 95.3 | Very high | 46 Ų | 46 | 58.3 Ų | 58.3 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 109.3 | 178 | -54.7 | 170.5 | 0 | 0 | 0 | 108 | I202 V207 W242 V249 V250 | I202-I244 HydrophobicContact CB-CG2 4.32Å; I202-I244 HydrophobicContact CG2-CD1 4.16Å; I202-I244 HydrophobicContact CG2-CG2 4.41Å; V207-I244 HydrophobicContact CG2-CD1 4.05Å; W242-I244 HydrophobicContact CE3-CG1 4.4Å; W242-I244 HydrophobicContact CZ3-CD1 4.03Å; W242-I244 HydrophobicContact CZ3-CG1 3.86Å; I244-V249 CarbonylContact C-O 3.59Å; I244-V249 WeakPolarHBondContact CA-O 3.42Å; I244-V250 HydrophobicContact CG1-CG2 4.44Å |
| 245 | D | 91.9 | Very high | 95.3 | Very high | 73 Ų | 73 | 56.1 Ų | 56.1 | 39% | 0.39 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 129.3 | 176.8 | -73 | -37.7 | 0 | 0 | 0 | 111 | L243 G247 K248 V249 T251 | L243-D245 HydrophobicContact CD1-CB 4.42Å; L243-D245 WeakPolarHBondContact CD1-OD1 3.07Å; L243-D245 VanDerWaalsContact CD1-OD2 3.26Å; L243-D245 WeakPolarHBondContact CD1-OD2 3.14Å; D245-G247 PolarHBondContact O-N 3.24Å; D245-K248 PolarHBondContact O-N 2.63Å; D245-V249 HydrophobicContact CB-CB 4.32Å; D245-V249 PolarHBondContact N-O 3.03Å; D245-V249 PolarHBondContact O-N 3.23Å; D245-T251 PolarHBondContact OD2-OG1 3.1Å |
| 246 | D | 87.7 | Confident | 95.3 | Very high | 146 Ų | 146 | 56.2 Ų | 56.2 | 78% | 0.781 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 15.8 | 180 | -69.6 | -26.1 | 0 | 0 | 0 | 115.5 | K248 | D246-K248 PolarHBondContact O-N 3.31Š|
| 247 | G | 87.1 | Confident | 95 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 20.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | I202 D245 | I202-G247 WeakPolarHBondContact CB-O 3.4Å; I202-G247 WeakPolarHBondContact CG1-O 3.44Å; I202-G247 PolarHBondContact N-O 3.41Å; D245-G247 PolarHBondContact O-N 3.24Å |
| 248 | K | 91.1 | Very high | 94.7 | Very high | 124 Ų | 124 | 56.5 Ų | 56.5 | 54% | 0.539 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | -25.2 | -179.5 | -68.6 | -172.5 | 177.6 | -174.9 | 0 | 114 | F196 D245 D246 | F196-K248 PolarHBondContact N-O 2.85Å; D245-K248 PolarHBondContact O-N 2.63Å; D246-K248 PolarHBondContact O-N 3.31Å |
| 249 | V | 94.5 | Very high | 94.3 | Very high | 43 Ų | 43 | 53.3 Ų | 53.3 | 26% | 0.261 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129 | -179 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | A193 P195 I244 D245 | A193-V249 HydrophobicContact CB-CG1 4.03Å; P195-V249 HydrophobicContact CB-CG2 4.33Å; I244-V249 CarbonylContact C-O 3.59Å; I244-V249 WeakPolarHBondContact CA-O 3.42Å; D245-V249 HydrophobicContact CB-CB 4.32Å; D245-V249 PolarHBondContact N-O 3.03Å; D245-V249 PolarHBondContact O-N 3.23Å |
| 250 | V | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.3 | 169.7 | 177.6 | 0 | 0 | 0 | 0 | 107.2 | V194 F196 V207 V209 V218 W242 L243 I244 V252 | V194-V250 PolarHBondContact N-O 2.82Å; V194-V250 PolarHBondContact O-N 3.49Å; F196-V250 HydrophobicContact CD2-CB 4.48Å; F196-V250 HydrophobicContact CD2-CG2 3.87Å; F196-V250 HydrophobicContact CE2-CB 3.94Å; F196-V250 HydrophobicContact CE2-CG2 3.51Å; V207-V250 HydrophobicContact CG1-CG1 4.33Å; V207-V250 HydrophobicContact CG1-CG2 3.96Å; V207-V250 HydrophobicContact CG2-CG2 4.05Å; V209-V250 HydrophobicContact CG2-CG1 3.92Å; V218-V250 HydrophobicContact CG1-CG1 4.19Å; W242-V250 HydrophobicContact CE3-CG1 4.35Å; L243-V250 WeakPolarHBondContact O-CA 3.29Å; I244-V250 HydrophobicContact CG1-CG2 4.44Å; V250-V252 HydrophobicContact CG1-CG2 4.26Å |
| 251 | T | 97.1 | Very high | 93.3 | Very high | 25 Ų | 25 | 58.9 Ų | 58.9 | 15% | 0.153 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.3 | 178.7 | -53.1 | 0 | 0 | 0 | 0 | 108.3 | I192 W242 L243 D245 | I192-T251 CarbonylContact O-C 3.57Å; I192-T251 VanDerWaalsContact O-CA 3.24Å; I192-T251 WeakPolarHBondContact O-CA 3.49Å; W242-T251 CarbonylContact C-O 3.56Å; W242-T251 WeakPolarHBondContact CA-O 3.45Å; W242-T251 WeakPolarHBondContact CB-O 3.18Å; L243-T251 PolarHBondContact N-O 3.22Å; L243-T251 PolarHBondContact O-N 3.12Å; D245-T251 PolarHBondContact OD2-OG1 3.1Å |
| 252 | V | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.9 | 179.7 | -176 | 0 | 0 | 0 | 0 | 108.6 | I192 V209 I211 I216 V218 W242 V250 L254 | I192-V252 HydrophobicContact CB-CB 4.3Å; I192-V252 PolarHBondContact N-O 3.47Å; I192-V252 PolarHBondContact O-N 3.02Å; V209-V252 HydrophobicContact CG1-CG2 4.27Å; I211-V252 HydrophobicContact CD1-CG1 3.7Å; I211-V252 HydrophobicContact CG1-CG1 4.32Å; I216-V252 HydrophobicContact CD1-CG1 4.17Å; V218-V252 HydrophobicContact CG2-CG2 3.99Å; W242-V252 HydrophobicContact CB-CB 4.46Å; W242-V252 HydrophobicContact CB-CG1 4.48Å; W242-V252 HydrophobicContact CB-CG2 4.02Å; V250-V252 HydrophobicContact CG1-CG2 4.26Å; V252-L254 HydrophobicContact CG1-CD2 3.86Å; V252-L254 HydrophobicContact CG1-CG 4.26Å |
| 253 | H | 98.1 | Very high | 93 | Very high | 41 Ų | 41 | 54 Ų | 54 | 19% | 0.19 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.9 | 174.5 | 179.8 | 79 | 0 | 0 | 0 | 109.4 | E189 I190 D191 S240 S241 | E189-H253 IonicContact OE2-CE1 3.28Å; E189-H253 PolarHBondContact OE2-CE1 2.97Å; E189-H253 VanDerWaalsContact OE2-CE1 3.31Å; E189-H253 IonicContact OE2-NE2 3.67Å; I190-H253 WeakPolarHBondContact O-CA 3.49Å; D191-H253 IonicContact OD1-CE1 2.7Å; D191-H253 IonicContact OD1-CG 3.7Å; D191-H253 IonicContact OD1-ND1 2.81Å; D191-H253 PolarHBondContact OD1-ND1 3.45Å; S240-H253 CarbonylContact C-O 3.59Å; S240-H253 VanDerWaalsContact CA-O 3.26Å; S240-H253 WeakPolarHBondContact CA-O 3.13Å; S240-H253 VanDerWaalsContact CB-O 3.3Å; S240-H253 WeakPolarHBondContact CB-O 3.32Å; S241-H253 PolarHBondContact N-O 3Å; S241-H253 PolarHBondContact O-N 2.97Å |
| 254 | L | 97.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.3 | 178.3 | -56.4 | 177.5 | 0 | 0 | 0 | 110.6 | E189 I190 I192 I211 I216 L231 V235 V252 | E189-L254 CarbonylContact C-O 3.51Å; E189-L254 WeakPolarHBondContact CA-O 3.35Å; I190-L254 HydrophobicContact CB-CB 4.25Å; I190-L254 PolarHBondContact N-O 3.1Å; I190-L254 PolarHBondContact O-N 3.43Å; I192-L254 HydrophobicContact CD1-CD1 3.71Å; I192-L254 HydrophobicContact CD1-CG 4.34Å; I211-L254 HydrophobicContact CD1-CD2 4.18Å; I211-L254 HydrophobicContact CG1-CD2 4.42Å; I211-L254 HydrophobicContact CG2-CD2 3.69Å; I216-L254 HydrophobicContact CD1-CD1 4.08Å; I216-L254 HydrophobicContact CD1-CD2 4.22Å; L231-L254 HydrophobicContact CD2-CD1 4.1Å; V235-L254 HydrophobicContact CG1-CB 4.08Å; V235-L254 HydrophobicContact CG1-CD1 4.43Å; V252-L254 HydrophobicContact CG1-CD2 3.86Å; V252-L254 HydrophobicContact CG1-CG 4.26Å |
| 255 | E | 97.2 | Very high | 92.8 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 8% | 0.075 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122 | 173.5 | -177.3 | 66.3 | -170.4 | 0 | 0 | 109.9 | V235 K236 E239 S240 K259 | V235-E255 CarbonylContact C-O 3.13Å; V235-E255 WeakPolarHBondContact CA-O 3.47Å; V235-E255 WeakPolarHBondContact CB-O 3.25Å; K236-E255 HydrophobicContact CB-CB 4.32Å; K236-E255 HydrophobicContact CB-CG 4.26Å; K236-E255 PolarHBondContact N-O 3.29Å; E239-E255 HydrophobicContact CB-CB 3.75Å; E239-E255 HydrophobicContact CB-CG 3.91Å; E239-E255 WeakPolarHBondContact OE2-CG 3.41Å; S240-E255 PolarHBondContact OG-N 2.94Å; E255-K259 WeakPolarHBondContact OE1-CE 3.35Å; E255-K259 IonicContact OE1-NZ 2.61Å; E255-K259 PolarHBondContact OE1-NZ 3.18Å |
| 256 | K | 95.9 | Very high | 93 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -73.6 | 140.9 | 179.1 | -60.6 | 170.8 | 179.1 | 176.8 | 0 | 110.1 | T186 L187 S188 I190 E261 W263 | T186-K256 PolarHBondContact O-NZ 3.31Å; L187-K256 WeakPolarHBondContact O-CD 3.41Å; S188-K256 WeakPolarHBondContact O-CB 3.42Å; S188-K256 WeakPolarHBondContact O-CG 2.98Å; S188-K256 PolarHBondContact O-N 3.03Å; I190-K256 HydrophobicContact CG1-CD 4.46Å; I190-K256 HydrophobicContact CG1-CG 4.37Å; K256-E261 PolarHBondContact NZ-O 3.4Å; K256-W263 HydrophobicContact CG-CZ2 4.36Å |
| 257 | I | 92.2 | Very high | 93.3 | Very high | 77 Ų | 77 | 41 Ų | 41 | 40% | 0.395 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -69.9 | -43.1 | 166.1 | -64.5 | -171.2 | 0 | 0 | 0 | 110 | R213 E234 K236 K259 | R213-I257 HydrophobicContact CG-CD1 4.49Å; E234-I257 HydrophobicContact CB-CB 4.37Å; E234-I257 HydrophobicContact CB-CD1 3.76Å; E234-I257 HydrophobicContact CB-CG1 4.21Å; E234-I257 PolarHBondContact O-N 3.32Å; K236-I257 HydrophobicContact CB-CG1 4.25Å; I257-K259 PolarHBondContact O-N 2.93Å |
| 258 | N | 89.2 | Confident | 93.6 | Very high | 70 Ų | 70 | 43.9 Ų | 43.9 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -90.1 | 95.4 | 174.7 | -173.1 | 4.9 | 0 | 0 | 0 | 110.6 | M260 E261 | N258-M260 PolarHBondContact O-N 3.19Å; N258-M260 VanDerWaalsContact O-N 3.14Å; N258-M260 PolarHBondContact OD1-N 3.47Å; N258-E261 HydrophobicContact CB-CB 4.39Å; N258-E261 WeakPolarHBondContact ND2-CB 3.32Å; N258-E261 PolarHBondContact ND2-OE2 3.23Å |
| 259 | K | 88 | Confident | 93.5 | Very high | 106 Ų | 106 | 43.1 Ų | 43.1 | 46% | 0.461 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 16.8 | -178.3 | -52.6 | -166.1 | -173.1 | -154.6 | 0 | 114.7 | L187 E255 I257 | L187-K259 WeakPolarHBondContact CB-O 3.28Å; L187-K259 CarbonylContact O-C 3.48Å; L187-K259 VanDerWaalsContact O-CA 3.28Å; L187-K259 WeakPolarHBondContact O-CA 3.31Å; E255-K259 WeakPolarHBondContact OE1-CE 3.35Å; E255-K259 IonicContact OE1-NZ 2.61Å; E255-K259 PolarHBondContact OE1-NZ 3.18Å; I257-K259 PolarHBondContact O-N 2.93Å |
| 260 | M | 82.9 | Confident | 93.4 | Very high | 167 Ų | 167 | 42.1 Ų | 42.1 | 82% | 0.823 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -130.6 | 27 | -179.7 | -66.5 | -173 | 177.3 | 0 | 0 | 111.8 | N258 | N258-M260 PolarHBondContact O-N 3.19Å; N258-M260 VanDerWaalsContact O-N 3.14Å; N258-M260 PolarHBondContact OD1-N 3.47Å |
| 261 | E | 87.9 | Confident | 93.2 | Very high | 54 Ų | 54 | 45.2 Ų | 45.2 | 25% | 0.252 | 23% | 0.232 | S | C | . | . | trans | -134.2 | 125.4 | -173.6 | -174.8 | 171.3 | -151.8 | 0 | 0 | 112.4 | N233 K256 N258 | N233-E261 PolarHBondContact ND2-OE2 2.95Å; K256-E261 PolarHBondContact NZ-O 3.4Å; N258-E261 HydrophobicContact CB-CB 4.39Å; N258-E261 WeakPolarHBondContact ND2-CB 3.32Å; N258-E261 PolarHBondContact ND2-OE2 3.23Å | ||
| 262 | W | 91.9 | Very high | 93 | Very high | 61 Ų | 61 | 46.7 Ų | 46.7 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | trans | -81 | 124.8 | 169.3 | -67.2 | 110.5 | 0 | 0 | 0 | 109.7 | N174 Q185 L187 I278 P280 | N174-W262 HydrophobicContact CB-CE3 4.37Å; N174-W262 HydrophobicContact CB-CH2 4.27Å; N174-W262 HydrophobicContact CB-CZ3 3.74Å; Q185-W262 HydrophobicContact CG-CE3 3.9Å; Q185-W262 HydrophobicContact CG-CZ3 3.9Å; L187-W262 HydrophobicContact CD2-CD2 4.05Å; L187-W262 HydrophobicContact CD2-CG 4.26Å; L187-W262 HydrophobicContact CD2-CZ2 3.96Å; L187-W262 HydrophobicContact CG-CZ2 3.93Å; W262-I278 HydrophobicContact CB-CD1 3.88Å; W262-I278 HydrophobicContact CD2-CD1 3.98Å; W262-I278 HydrophobicContact CD2-CG2 3.78Å; W262-I278 HydrophobicContact CE3-CD1 3.95Å; W262-I278 HydrophobicContact CE3-CG2 3.98Å; W262-I278 HydrophobicContact CG-CD1 3.96Å; W262-I278 HydrophobicContact CG-CG2 4.39Å; W262-I278 HydrophobicContact CH2-CG2 3.95Å; W262-I278 HydrophobicContact CZ2-CG2 3.75Å; W262-I278 HydrophobicContact CZ3-CG2 4.06Å; W262-P280 HydrophobicContact CZ2-CB 4.49Å | ||
| 263 | W | 95 | Very high | 92.7 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | trans | -82.6 | 135.4 | 177.4 | -73.9 | 24.9 | 0 | 0 | 0 | 109.4 | W183 Q185 I190 L231 F232 N233 V235 K256 R265 I266 | W183-W263 WeakPolarHBondContact CH2-O 3.49Å; Q185-W263 PolarHBondContact NE2-O 3.3Å; I190-W263 HydrophobicContact CD1-CB 4.4Å; I190-W263 HydrophobicContact CD1-CD2 3.42Å; I190-W263 VanDerWaalsContact CD1-CD2 3.42Å; I190-W263 HydrophobicContact CD1-CE3 3.22Å; I190-W263 HydrophobicContact CD1-CG 3.96Å; I190-W263 HydrophobicContact CD1-CH2 4.19Å; I190-W263 HydrophobicContact CD1-CZ2 4.34Å; I190-W263 HydrophobicContact CD1-CZ3 3.65Å; L231-W263 HydrophobicContact CB-CH2 4.05Å; L231-W263 HydrophobicContact CB-CZ3 4.16Å; L231-W263 HydrophobicContact CD2-CH2 4.49Å; L231-W263 HydrophobicContact CD2-CZ3 4.12Å; F232-W263 HydrophobicContact CB-CD2 3.92Å; F232-W263 HydrophobicContact CB-CE3 3.62Å; F232-W263 HydrophobicContact CB-CG 4.43Å; F232-W263 HydrophobicContact CB-CZ3 3.98Å; F232-W263 HydrophobicContact CD1-CB 4.01Å; F232-W263 AromaticContact CD1-CD1 3.71Å; F232-W263 AromaticContact CD1-CD2 3.7Å; F232-W263 HydrophobicContact CD1-CD2 3.7Å; F232-W263 AromaticContact CD1-CE2 3.98Å; F232-W263 HydrophobicContact CD1-CE3 4.31Å; F232-W263 AromaticContact CD1-CG 3.55Å; F232-W263 HydrophobicContact CD1-CG 3.55Å; F232-W263 AromaticContact CD1-NE1 3.95Å; F232-W263 HydrophobicContact CE1-CB 4.48Å; F232-W263 HydrophobicContact CE1-CG 4.18Å; F232-W263 HydrophobicContact CG-CB 4.44Å; F232-W263 HydrophobicContact CG-CD2 4.2Å; F232-W263 HydrophobicContact CG-CE3 4.37Å; F232-W263 HydrophobicContact CG-CG 4.25Å; N233-W263 HydrophobicContact CB-CH2 4.47Å; N233-W263 HydrophobicContact CB-CZ2 3.65Å; N233-W263 WeakPolarHBondContact O-CH2 3.47Å; N233-W263 WeakPolarHBondContact O-CZ2 3.43Å; V235-W263 HydrophobicContact CG1-CH2 3.7Å; V235-W263 HydrophobicContact CG1-CZ2 4.12Å; K256-W263 HydrophobicContact CG-CZ2 4.36Å; W263-R265 VanDerWaalsContact C-N 3.34Å; W263-I266 HydrophobicContact CE3-CD1 4.49Å | ||
| 264 | S | 94 | Very high | 92.2 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 8% | 0.077 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -81.8 | -16.8 | 173.7 | 62.1 | 0 | 0 | 0 | 0 | 112.5 | F232 E272 I273 | F232-S264 VanDerWaalsContact CE2-OG 3.31Å; F232-S264 WeakPolarHBondContact CE2-OG 3.44Å; S264-E272 CarbonylContact O-C 3.56Å; S264-E272 WeakPolarHBondContact O-CA 3.39Å; S264-E272 PolarHBondContact OG-OE1 2.92Å; S264-I273 WeakPolarHBondContact O-CG1 3.3Å; S264-I273 PolarHBondContact O-N 3.37Å |
| 265 | R | 94.9 | Very high | 91.7 | Very high | 59 Ų | 59 | 47.9 Ų | 47.9 | 22% | 0.223 | 25% | 0.247 | C | C | . | . | trans | -163.2 | 165.7 | -179.5 | 57.4 | -178.3 | 110 | -174.8 | 7.5 | 110.6 | F232 W263 V267 T268 D270 E272 | F232-R265 HydrophobicContact CB-CG 4.5Å; F232-R265 VanDerWaalsContact CB-O 3.25Å; F232-R265 WeakPolarHBondContact CB-O 3.36Å; F232-R265 HydrophobicContact CD2-CG 3.99Å; W263-R265 VanDerWaalsContact C-N 3.34Å; R265-V267 WeakPolarHBondContact CD-O 3.49Å; R265-V267 WeakPolarHBondContact CG-O 3.4Å; R265-T268 PolarHBondContact NH1-O 3.47Å; R265-D270 HydrophobicContact CB-CB 4.17Å; R265-D270 WeakPolarHBondContact CD-O 3.33Å; R265-D270 PolarHBondContact NH1-O 3.34Å; R265-E272 IonicContact CZ-OE1 3.65Å; R265-E272 VanDerWaalsContact CZ-OE1 3.28Å; R265-E272 IonicContact NE-OE1 3.9Å; R265-E272 PolarHBondContact NE-OE1 2.9Å; R265-E272 VanDerWaalsContact NE-OE1 3.16Å; R265-E272 IonicContact NH2-OE1 2.73Å; R265-E272 PolarHBondContact NH2-OE1 3.35Å | ||
| 266 | I | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -84.2 | -59.7 | 175.7 | -61.1 | -53.3 | 0 | 0 | 0 | 110.8 | Y181 W183 I190 I192 M227 L231 F232 W263 | Y181-I266 HydrophobicContact CE2-CG1 4.38Å; W183-I266 HydrophobicContact CB-CD1 4.15Å; W183-I266 HydrophobicContact CB-CG1 4.08Å; W183-I266 HydrophobicContact CD2-CD1 3.41Å; W183-I266 VanDerWaalsContact CD2-CD1 3.41Å; W183-I266 HydrophobicContact CD2-CG1 3.54Å; W183-I266 HydrophobicContact CE3-CD1 3.4Å; W183-I266 VanDerWaalsContact CE3-CD1 3.4Å; W183-I266 HydrophobicContact CE3-CG1 4.1Å; W183-I266 HydrophobicContact CG-CD1 3.74Å; W183-I266 HydrophobicContact CG-CG1 3.5Å; W183-I266 HydrophobicContact CH2-CD1 4.41Å; W183-I266 HydrophobicContact CZ2-CD1 4.46Å; W183-I266 HydrophobicContact CZ2-CG1 4.48Å; W183-I266 HydrophobicContact CZ3-CD1 3.89Å; I190-I266 HydrophobicContact CD1-CD1 4.02Å; I190-I266 HydrophobicContact CG2-CD1 3.53Å; I192-I266 HydrophobicContact CD1-CD1 4.33Å; I192-I266 HydrophobicContact CD1-CG1 4.35Å; I192-I266 HydrophobicContact CD1-CG2 3.75Å; I192-I266 HydrophobicContact CG1-CD1 4.38Å; M227-I266 HydrophobicContact SD-CG2 3.85Å; L231-I266 CarbonylContact C-O 3.59Å; L231-I266 WeakPolarHBondContact CA-O 3.43Å; L231-I266 HydrophobicContact CD2-CG2 4.04Å; F232-I266 PolarHBondContact N-O 3.02Å; W263-I266 HydrophobicContact CE3-CD1 4.49Å |
| 267 | V | 95.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -105.8 | 150.2 | 175.3 | -65.5 | 0 | 0 | 0 | 0 | 111 | I216 M227 Q230 R265 T269 D270 | I216-V267 HydrophobicContact CG2-CG1 3.68Å; M227-V267 HydrophobicContact CG-CG1 4.23Å; Q230-V267 CarbonylContact O-C 3.49Å; Q230-V267 VanDerWaalsContact O-CA 3.25Å; Q230-V267 WeakPolarHBondContact O-CA 3.41Å; R265-V267 WeakPolarHBondContact CD-O 3.49Å; R265-V267 WeakPolarHBondContact CG-O 3.4Å; V267-T269 WeakPolarHBondContact CG2-OG1 3.48Å; V267-T269 PolarHBondContact O-N 2.87Å; V267-T269 VanDerWaalsContact O-N 3.07Å; V267-D270 HydrophobicContact CG2-CB 4.24Å; V267-D270 VanDerWaalsContact CG2-OD1 3.27Å; V267-D270 WeakPolarHBondContact CG2-OD1 3.34Å; V267-D270 VanDerWaalsContact CG2-OD2 3.28Å; V267-D270 WeakPolarHBondContact CG2-OD2 3.25Å; V267-D270 WeakPolarHBondContact O-CB 3.48Å; V267-D270 PolarHBondContact O-N 2.93Å; V267-D270 VanDerWaalsContact O-N 3.07Å |
| 268 | T | 91.6 | Very high | 89.9 | Confident | 62 Ų | 62 | 55.5 Ų | 55.5 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.4 | -177.5 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | Q230 R265 | Q230-T268 HydrophobicContact CB-CG2 4.33Å; Q230-T268 PolarHBondContact O-N 2.98Å; R265-T268 PolarHBondContact NH1-O 3.47Å |
| 269 | T | 90.6 | Very high | 89.2 | Confident | 109 Ų | 109 | 56 Ų | 56 | 67% | 0.669 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -15.1 | 178.8 | 50.5 | 0 | 0 | 0 | 0 | 114 | V267 | V267-T269 WeakPolarHBondContact CG2-OG1 3.48Å; V267-T269 PolarHBondContact O-N 2.87Å; V267-T269 VanDerWaalsContact O-N 3.07Å |
| 270 | D | 91.8 | Very high | 88.5 | Confident | 21 Ų | 21 | 53.9 Ų | 53.9 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -77.2 | 157 | -177.2 | -73.1 | -13.3 | 0 | 0 | 0 | 112.7 | L178 Y181 R265 V267 | L178-D270 HydrophobicContact CD2-CB 4.21Å; Y181-D270 VanDerWaalsContact OH-CG 3.23Å; Y181-D270 PolarHBondContact OH-OD1 3.49Å; Y181-D270 PolarHBondContact OH-OD2 2.97Å; R265-D270 HydrophobicContact CB-CB 4.17Å; R265-D270 WeakPolarHBondContact CD-O 3.33Å; R265-D270 PolarHBondContact NH1-O 3.34Å; V267-D270 HydrophobicContact CG2-CB 4.24Å; V267-D270 VanDerWaalsContact CG2-OD1 3.27Å; V267-D270 WeakPolarHBondContact CG2-OD1 3.34Å; V267-D270 VanDerWaalsContact CG2-OD2 3.28Å; V267-D270 WeakPolarHBondContact CG2-OD2 3.25Å; V267-D270 WeakPolarHBondContact O-CB 3.48Å; V267-D270 PolarHBondContact O-N 2.93Å; V267-D270 VanDerWaalsContact O-N 3.07Å |
| 271 | P | 91.8 | Very high | 87.5 | Confident | 66 Ų | 66 | 54.2 Ų | 54.2 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 147.8 | 164.2 | 27.4 | -36.2 | 0 | 0 | 0 | 111.8 | L168 L178 | L168-P271 HydrophobicContact CD1-CB 3.87Å; L168-P271 HydrophobicContact CD1-CG 3.59Å; L168-P271 HydrophobicContact CG-CB 4.3Å; L168-P271 HydrophobicContact CG-CG 4.5Å; L178-P271 HydrophobicContact CD2-CG 3.76Å |
| 272 | E | 92.8 | Very high | 85.9 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -85 | 144 | 177.1 | -68.6 | -167.8 | 156.2 | 0 | 0 | 112.6 | K167 L168 S264 R265 | K167-E272 CarbonylContact C-O 3.48Å; K167-E272 WeakPolarHBondContact CA-O 3.26Å; K167-E272 HydrophobicContact CG-CB 4.3Å; L168-E272 PolarHBondContact N-O 3.49Å; S264-E272 CarbonylContact O-C 3.56Å; S264-E272 WeakPolarHBondContact O-CA 3.39Å; S264-E272 PolarHBondContact OG-OE1 2.92Å; R265-E272 IonicContact CZ-OE1 3.65Å; R265-E272 VanDerWaalsContact CZ-OE1 3.28Å; R265-E272 IonicContact NE-OE1 3.9Å; R265-E272 PolarHBondContact NE-OE1 2.9Å; R265-E272 VanDerWaalsContact NE-OE1 3.16Å; R265-E272 IonicContact NH2-OE1 2.73Å; R265-E272 PolarHBondContact NH2-OE1 3.35Å |
| 273 | I | 92.3 | Very high | 84 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -81.9 | 151.3 | 162.5 | 71.3 | 173.4 | 0 | 0 | 0 | 110.6 | L168 P170 N174 W183 S264 T275 I278 | L168-I273 HydrophobicContact CB-CG2 4.16Å; L168-I273 CarbonylContact O-C 3.58Å; L168-I273 VanDerWaalsContact O-CA 3.23Å; L168-I273 WeakPolarHBondContact O-CA 3.38Å; P170-I273 HydrophobicContact CB-CD1 4.29Å; P170-I273 HydrophobicContact CG-CB 4.3Å; P170-I273 HydrophobicContact CG-CD1 4.24Å; N174-I273 WeakPolarHBondContact O-CD1 3.48Å; W183-I273 HydrophobicContact CH2-CD1 3.74Å; W183-I273 HydrophobicContact CH2-CG1 4.4Å; W183-I273 HydrophobicContact CZ2-CD1 4.1Å; W183-I273 HydrophobicContact CZ2-CG1 4.48Å; W183-I273 HydrophobicContact CZ2-CG2 4.08Å; S264-I273 WeakPolarHBondContact O-CG1 3.3Å; S264-I273 PolarHBondContact O-N 3.37Å; I273-T275 HydrophobicContact CG1-CG2 4.32Å; I273-T275 PolarHBondContact O-N 2.93Å; I273-T275 VanDerWaalsContact O-N 3.12Å; I273-I278 HydrophobicContact CD1-CD1 4.16Å |
| 274 | N | 88.4 | Confident | 82.1 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.032 | 33% | 0.33 | C | S | . | . | trans | -78.1 | 96.4 | 172.4 | -171.2 | -16.8 | 0 | 0 | 0 | 110.3 | K167 L168 P170 K276 K277 | K167-N274 HydrophobicContact CB-CB 3.97Å; K167-N274 HydrophobicContact CD-CB 4.45Å; L168-N274 PolarHBondContact O-N 2.93Å; P170-N274 VanDerWaalsContact CG-O 3.23Å; P170-N274 WeakPolarHBondContact CG-O 3.13Å; N274-K276 PolarHBondContact O-N 3.32Å; N274-K276 VanDerWaalsContact O-N 3.16Å; N274-K276 VanDerWaalsContact OD1-CB 3.31Å; N274-K276 WeakPolarHBondContact OD1-CB 3.31Å; N274-K276 PolarHBondContact OD1-N 3.48Å; N274-K276 VanDerWaalsContact OD1-N 3.08Å; N274-K277 HydrophobicContact CB-CD 4.48Å; N274-K277 HydrophobicContact CB-CG 4.44Å; N274-K277 PolarHBondContact O-N 3.37Å | ||
| 275 | T | 86.4 | Confident | 80.1 | Confident | 58 Ų | 58 | 64 Ų | 64 | 36% | 0.356 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -64.1 | -17.1 | -179.1 | 55.9 | 0 | 0 | 0 | 0 | 114 | I273 K277 I278 | I273-T275 HydrophobicContact CG1-CG2 4.32Å; I273-T275 PolarHBondContact O-N 2.93Å; I273-T275 VanDerWaalsContact O-N 3.12Å; T275-K277 PolarHBondContact O-N 2.83Å; T275-I278 HydrophobicContact CG2-CD1 4.01Å; T275-I278 WeakPolarHBondContact O-CB 3.4Å; T275-I278 PolarHBondContact O-N 3.22Å |
| 276 | K | 81.3 | Confident | 78.4 | Confident | 136 Ų | 136 | 65 Ų | 65 | 59% | 0.591 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -68.9 | -23.1 | 173 | -60.2 | 175.9 | 179.4 | 165.1 | 0 | 112.6 | D161 D164 N274 | D161-K276 IonicContact OD2-NZ 3.16Å; D161-K276 PolarHBondContact OD2-NZ 2.86Å; D164-K276 WeakPolarHBondContact OD2-CE 3.13Å; D164-K276 IonicContact OD2-NZ 2.74Å; D164-K276 PolarHBondContact OD2-NZ 2.98Å; N274-K276 PolarHBondContact O-N 3.32Å; N274-K276 VanDerWaalsContact O-N 3.16Å; N274-K276 VanDerWaalsContact OD1-CB 3.31Å; N274-K276 WeakPolarHBondContact OD1-CB 3.31Å; N274-K276 PolarHBondContact OD1-N 3.48Å; N274-K276 VanDerWaalsContact OD1-N 3.08Å |
| 277 | K | 81.9 | Confident | 76.6 | Confident | 98 Ų | 98 | 70.1 Ų | 70.1 | 43% | 0.426 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -92.8 | 6.3 | -179.6 | -62.6 | -174.4 | -177.8 | 179 | 0 | 112.7 | E160 P170 N274 T275 | E160-K277 IonicContact OE1-NZ 2.83Å; E160-K277 PolarHBondContact OE1-NZ 3.45Å; P170-K277 HydrophobicContact CG-CB 4.27Å; N274-K277 HydrophobicContact CB-CD 4.48Å; N274-K277 HydrophobicContact CB-CG 4.44Å; N274-K277 PolarHBondContact O-N 3.37Å; T275-K277 PolarHBondContact O-N 2.83Å |
| 278 | I | 83.9 | Confident | 74.9 | Confident | 21 Ų | 21 | 71.9 Ų | 71.9 | 11% | 0.108 | 39% | 0.389 | C | S | . | . | trans | -71.8 | 137.9 | 176.5 | -75.2 | 174.7 | 0 | 0 | 0 | 110.3 | P170 N174 W262 I273 T275 | P170-I278 HydrophobicContact CB-CG1 4.27Å; P170-I278 HydrophobicContact CG-CG1 3.97Å; N174-I278 HydrophobicContact CB-CG1 4.15Å; N174-I278 HydrophobicContact CB-CG2 3.91Å; W262-I278 HydrophobicContact CB-CD1 3.88Å; W262-I278 HydrophobicContact CD2-CD1 3.98Å; W262-I278 HydrophobicContact CD2-CG2 3.78Å; W262-I278 HydrophobicContact CE3-CD1 3.95Å; W262-I278 HydrophobicContact CE3-CG2 3.98Å; W262-I278 HydrophobicContact CG-CD1 3.96Å; W262-I278 HydrophobicContact CG-CG2 4.39Å; W262-I278 HydrophobicContact CH2-CG2 3.95Å; W262-I278 HydrophobicContact CZ2-CG2 3.75Å; W262-I278 HydrophobicContact CZ3-CG2 4.06Å; I273-I278 HydrophobicContact CD1-CD1 4.16Å; T275-I278 HydrophobicContact CG2-CD1 4.01Å; T275-I278 WeakPolarHBondContact O-CB 3.4Å; T275-I278 PolarHBondContact O-N 3.22Å | ||
| 279 | C | 75.2 | Confident | 73.6 | Confident | 80 Ų | 80 | 73.4 Ų | 73.4 | 54% | 0.541 | 40% | 0.395 | S | S | . | . | trans | -108.9 | 106.7 | 176.3 | -165.7 | 0 | 0 | 0 | 0 | 109.7 | N174 | N174-C279 PolarHBondContact ND2-O 2.9Å; N174-C279 PolarHBondContact OD1-N 2.94Å; N174-C279 PolarHBondContact OD1-O 3.35Å | ||
| 280 | P | 72.8 | Confident | 72.6 | Confident | 61 Ų | 61 | 71.2 Ų | 71.2 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | trans | -59.3 | 145.9 | 179.6 | -19.3 | 29 | 0 | 0 | 0 | 111.9 | W262 N282 S283 | W262-P280 HydrophobicContact CZ2-CB 4.49Å; P280-N282 PolarHBondContact O-N 3.42Å; P280-S283 WeakPolarHBondContact CD-OG 3.5Å; P280-S283 VanDerWaalsContact O-CB 3.26Å; P280-S283 WeakPolarHBondContact O-CB 3.35Å; P280-S283 PolarHBondContact O-N 3.42Å; P280-S283 PolarHBondContact O-OG 2.94Å | ||
| 281 | E | 62.6 | Low | 71.6 | Confident | 174 Ų | 174 | 78.3 Ų | 78.3 | 81% | 0.813 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30 | 179.6 | -75.1 | -151.5 | 135.6 | 0 | 0 | 113.7 | S283 | E281-S283 PolarHBondContact O-N 2.84Å; E281-S283 VanDerWaalsContact O-N 3.09Å |
| 282 | N | 54.7 | Low | 70.4 | Confident | 100 Ų | 100 | 78 Ų | 78 | 54% | 0.535 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 20.2 | -178.6 | -151.4 | 5.5 | 0 | 0 | 0 | 113.8 | P280 K284 | P280-N282 PolarHBondContact O-N 3.42Å; N282-K284 PolarHBondContact O-N 2.72Å |
| 283 | S | 51.2 | Low | 69.3 | Low | 48 Ų | 48 | 80.1 Ų | 80.1 | 34% | 0.336 | 43% | 0.429 | S | S | . | . | trans | -77.8 | 1.9 | -171.5 | -61.4 | 0 | 0 | 0 | 0 | 114.9 | P280 E281 L285 | P280-S283 WeakPolarHBondContact CD-OG 3.5Å; P280-S283 VanDerWaalsContact O-CB 3.26Å; P280-S283 WeakPolarHBondContact O-CB 3.35Å; P280-S283 PolarHBondContact O-N 3.42Å; P280-S283 PolarHBondContact O-OG 2.94Å; E281-S283 PolarHBondContact O-N 2.84Å; E281-S283 VanDerWaalsContact O-N 3.09Å; S283-L285 PolarHBondContact O-N 2.97Å; S283-L285 VanDerWaalsContact O-N 3.16Å | ||
| 284 | K | 54.4 | Low | 68.1 | Low | 142 Ų | 142 | 81.7 Ų | 81.7 | 62% | 0.617 | 45% | 0.446 | S | S | * | . | trans | -79.6 | 102.1 | 170.2 | -70.4 | -176.8 | -174.8 | 172.7 | 0 | 108 | N282 S286 D287 | N282-K284 PolarHBondContact O-N 2.72Å; K284-S286 PolarHBondContact O-N 3.39Å; K284-D287 PolarHBondContact O-N 3.47Å | ||
| 285 | L | 52.7 | Low | 67.2 | Low | 44 Ų | 44 | 88.3 Ų | 88.3 | 23% | 0.23 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -17.6 | 172.5 | -82.4 | 123.9 | 0 | 0 | 0 | 114 | S283 D287 R293 V296 E297 M300 | S283-L285 PolarHBondContact O-N 2.97Å; S283-L285 VanDerWaalsContact O-N 3.16Å; L285-D287 VanDerWaalsContact C-N 3.26Å; L285-D287 PolarHBondContact O-N 3.49Å; L285-R293 HydrophobicContact CB-CG 4.43Å; L285-R293 HydrophobicContact CD2-CG 3.86Å; L285-R293 VanDerWaalsContact O-CD 3.3Å; L285-R293 WeakPolarHBondContact O-CD 3.45Å; L285-V296 HydrophobicContact CD2-CG1 4.45Å; L285-E297 HydrophobicContact CD2-CB 4.44Å; L285-E297 HydrophobicContact CD2-CG 3.22Å; L285-M300 HydrophobicContact CD1-SD 4.28Å |
| 286 | S | 59.4 | Low | 66.2 | Low | 80 Ų | 80 | 87.8 Ų | 87.8 | 56% | 0.559 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -25.3 | 172.1 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | K284 | K284-S286 PolarHBondContact O-N 3.39Š|
| 287 | D | 57.8 | Low | 65.8 | Low | 107 Ų | 107 | 85.3 Ų | 85.3 | 57% | 0.572 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -96.4 | -4.9 | -170 | -56.3 | -8.1 | 0 | 0 | 0 | 111.6 | K284 L285 | K284-D287 PolarHBondContact O-N 3.47Å; L285-D287 VanDerWaalsContact C-N 3.26Å; L285-D287 PolarHBondContact O-N 3.49Å |
| 288 | L | 59.2 | Low | 65.5 | Low | 39 Ų | 39 | 84.7 Ų | 84.7 | 20% | 0.204 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -91.3 | 142.7 | 173.9 | -62.2 | 176.2 | 0 | 0 | 0 | 110.8 | T292 R293 V296 | L288-T292 HydrophobicContact CD2-CG2 4.41Å; L288-R293 HydrophobicContact CB-CB 4.17Å; L288-V296 HydrophobicContact CD1-CB 4.43Å; L288-V296 HydrophobicContact CD1-CG2 4.16Å |
| 289 | D | 64.8 | Low | 64.7 | Low | 94 Ų | 94 | 90.4 Ų | 90.4 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | trans | -63 | 151.1 | 172.1 | 65.6 | -57.1 | 0 | 0 | 0 | 111.1 | E291 T292 R293 | D289-E291 PolarHBondContact O-N 3.26Å; D289-T292 PolarHBondContact O-N 3.01Å; D289-T292 VanDerWaalsContact O-N 3.17Å; D289-T292 WeakPolarHBondContact OD1-CB 3.47Å; D289-T292 PolarHBondContact OD1-OG1 3.07Å; D289-T292 PolarHBondContact OD2-OG1 3.48Å; D289-R293 VanDerWaalsContact O-CB 3.29Å; D289-R293 WeakPolarHBondContact O-CB 3.32Å; D289-R293 PolarHBondContact O-N 3.49Å | ||
| 290 | G | 69.3 | Low | 64.3 | Low | 63 Ų | 63 | 91.2 Ų | 91.2 | 65% | 0.649 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -56.9 | -29.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G294 | G290-G294 PolarHBondContact O-N 3.03Å; G290-G294 VanDerWaalsContact O-N 3.14Å |
| 291 | E | 71.2 | Confident | 64.4 | Low | 169 Ų | 169 | 92.8 Ų | 92.8 | 79% | 0.79 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -75 | -50 | 178.1 | -169.3 | 174.2 | -176.2 | 0 | 0 | 111.6 | D289 R293 G294 M295 | D289-E291 PolarHBondContact O-N 3.26Å; E291-R293 VanDerWaalsContact C-N 3.31Å; E291-R293 PolarHBondContact O-N 3.45Å; E291-G294 PolarHBondContact O-N 3.36Å; E291-M295 PolarHBondContact O-N 2.99Å |
| 292 | T | 65.6 | Low | 65 | Low | 59 Ų | 59 | 85.7 Ų | 85.7 | 36% | 0.362 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 175.3 | -51.4 | 0 | 0 | 0 | 0 | 111.6 | L288 D289 M295 V296 | L288-T292 HydrophobicContact CD2-CG2 4.41Å; D289-T292 PolarHBondContact O-N 3.01Å; D289-T292 VanDerWaalsContact O-N 3.17Å; D289-T292 WeakPolarHBondContact OD1-CB 3.47Å; D289-T292 PolarHBondContact OD1-OG1 3.07Å; D289-T292 PolarHBondContact OD2-OG1 3.48Å; T292-M295 PolarHBondContact O-N 3.38Å; T292-V296 HydrophobicContact CG2-CG2 4.41Å; T292-V296 VanDerWaalsContact O-CG2 3.32Å; T292-V296 WeakPolarHBondContact O-CG2 3.5Å; T292-V296 PolarHBondContact O-N 2.93Å |
| 293 | R | 69.5 | Low | 65.6 | Low | 100 Ų | 100 | 87.5 Ų | 87.5 | 38% | 0.377 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 175.2 | -174.6 | -175.6 | 172.8 | 153.9 | -3 | 111.5 | L285 L288 D289 E291 M295 V296 E297 | L285-R293 HydrophobicContact CB-CG 4.43Å; L285-R293 HydrophobicContact CD2-CG 3.86Å; L285-R293 VanDerWaalsContact O-CD 3.3Å; L285-R293 WeakPolarHBondContact O-CD 3.45Å; L288-R293 HydrophobicContact CB-CB 4.17Å; D289-R293 VanDerWaalsContact O-CB 3.29Å; D289-R293 WeakPolarHBondContact O-CB 3.32Å; D289-R293 PolarHBondContact O-N 3.49Å; E291-R293 VanDerWaalsContact C-N 3.31Å; E291-R293 PolarHBondContact O-N 3.45Å; R293-M295 VanDerWaalsContact C-N 3.29Å; R293-M295 PolarHBondContact O-N 3.4Å; R293-V296 PolarHBondContact O-N 2.82Å; R293-E297 HydrophobicContact CG-CG 4.37Å; R293-E297 IonicContact CZ-OE1 3.56Å; R293-E297 IonicContact NE-OE1 2.72Å; R293-E297 PolarHBondContact NE-OE1 3.46Å; R293-E297 IonicContact NH2-OE1 2.84Å; R293-E297 PolarHBondContact NH2-OE1 3.09Å; R293-E297 WeakPolarHBondContact O-CB 3.33Å; R293-E297 WeakPolarHBondContact O-CG 3.32Å; R293-E297 PolarHBondContact O-N 3.09Å |
| 294 | G | 67.3 | Low | 66.6 | Low | 36 Ų | 36 | 93.4 Ų | 93.4 | 37% | 0.371 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.5 | -36.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G290 E291 K298 | G290-G294 PolarHBondContact O-N 3.03Å; G290-G294 VanDerWaalsContact O-N 3.14Å; E291-G294 PolarHBondContact O-N 3.36Å; G294-K298 WeakPolarHBondContact O-CB 3.27Å; G294-K298 PolarHBondContact O-N 2.98Å |
| 295 | M | 69.1 | Low | 67.6 | Low | 146 Ų | 146 | 87.7 Ų | 87.7 | 72% | 0.719 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.8 | -44.2 | 175.8 | -167 | 179 | -139.4 | 0 | 0 | 112.3 | E291 T292 R293 K298 M299 | E291-M295 PolarHBondContact O-N 2.99Å; T292-M295 PolarHBondContact O-N 3.38Å; R293-M295 VanDerWaalsContact C-N 3.29Å; R293-M295 PolarHBondContact O-N 3.4Å; M295-K298 PolarHBondContact O-N 2.66Å; M295-M299 WeakPolarHBondContact O-CB 3.36Å; M295-M299 PolarHBondContact O-N 2.93Å |
| 296 | V | 67.1 | Low | 68.7 | Low | 46 Ų | 46 | 92.7 Ų | 92.7 | 28% | 0.279 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.6 | -39.9 | 178.1 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | L285 L288 T292 R293 M299 M300 | L285-V296 HydrophobicContact CD2-CG1 4.45Å; L288-V296 HydrophobicContact CD1-CB 4.43Å; L288-V296 HydrophobicContact CD1-CG2 4.16Å; T292-V296 HydrophobicContact CG2-CG2 4.41Å; T292-V296 VanDerWaalsContact O-CG2 3.32Å; T292-V296 WeakPolarHBondContact O-CG2 3.5Å; T292-V296 PolarHBondContact O-N 2.93Å; R293-V296 PolarHBondContact O-N 2.82Å; V296-M299 PolarHBondContact O-N 2.93Å; V296-M300 HydrophobicContact CG1-CE 4.32Å; V296-M300 WeakPolarHBondContact O-CB 3.49Å; V296-M300 WeakPolarHBondContact O-CG 3.24Å; V296-M300 PolarHBondContact O-N 2.86Å |
| 297 | E | 72 | Confident | 69.1 | Low | 84 Ų | 84 | 93.3 Ų | 93.3 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 173.5 | -75.6 | -178.6 | -178.9 | 0 | 0 | 111.5 | L285 R293 M299 M300 Y301 | L285-E297 HydrophobicContact CD2-CB 4.44Å; L285-E297 HydrophobicContact CD2-CG 3.22Å; R293-E297 HydrophobicContact CG-CG 4.37Å; R293-E297 IonicContact CZ-OE1 3.56Å; R293-E297 IonicContact NE-OE1 2.72Å; R293-E297 PolarHBondContact NE-OE1 3.46Å; R293-E297 IonicContact NH2-OE1 2.84Å; R293-E297 PolarHBondContact NH2-OE1 3.09Å; R293-E297 WeakPolarHBondContact O-CB 3.33Å; R293-E297 WeakPolarHBondContact O-CG 3.32Å; R293-E297 PolarHBondContact O-N 3.09Å; E297-M299 VanDerWaalsContact C-N 3.31Å; E297-M299 PolarHBondContact O-N 3.37Å; E297-M300 PolarHBondContact O-N 3.45Å; E297-Y301 WeakPolarHBondContact O-CB 3.48Å; E297-Y301 PolarHBondContact O-N 3.44Å |
| 298 | K | 75.3 | Confident | 69.7 | Low | 86 Ų | 86 | 93.2 Ų | 93.2 | 37% | 0.374 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 174.7 | -173.7 | -169.1 | 173 | -159.6 | 0 | 110.8 | G294 M295 Y301 D302 E314 | G294-K298 WeakPolarHBondContact O-CB 3.27Å; G294-K298 PolarHBondContact O-N 2.98Å; M295-K298 PolarHBondContact O-N 2.66Å; K298-Y301 PolarHBondContact O-N 3.19Å; K298-D302 WeakPolarHBondContact O-CB 3.38Å; K298-D302 VanDerWaalsContact O-CG 3.3Å; K298-D302 PolarHBondContact O-N 3.49Å; K298-E314 IonicContact NZ-OE1 3.18Å; K298-E314 PolarHBondContact NZ-OE1 3.43Å |
| 299 | M | 67.6 | Low | 70.3 | Confident | 141 Ų | 141 | 94.8 Ų | 94.8 | 70% | 0.695 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.7 | -41 | -179.2 | -161.6 | 175.5 | -169.7 | 0 | 0 | 112 | M295 V296 E297 Q303 | M295-M299 WeakPolarHBondContact O-CB 3.36Å; M295-M299 PolarHBondContact O-N 2.93Å; V296-M299 PolarHBondContact O-N 2.93Å; E297-M299 VanDerWaalsContact C-N 3.31Å; E297-M299 PolarHBondContact O-N 3.37Å; M299-Q303 VanDerWaalsContact O-CB 3.28Å; M299-Q303 WeakPolarHBondContact O-CB 3.45Å; M299-Q303 PolarHBondContact O-N 3.04Å |
| 300 | M | 67 | Low | 70.8 | Confident | 96 Ų | 96 | 94.1 Ų | 94.1 | 47% | 0.473 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 174.3 | -76.1 | -168 | 172.1 | 0 | 0 | 112.4 | L285 V296 E297 Q303 R304 | L285-M300 HydrophobicContact CD1-SD 4.28Å; V296-M300 HydrophobicContact CG1-CE 4.32Å; V296-M300 WeakPolarHBondContact O-CB 3.49Å; V296-M300 WeakPolarHBondContact O-CG 3.24Å; V296-M300 PolarHBondContact O-N 2.86Å; E297-M300 PolarHBondContact O-N 3.45Å; M300-Q303 PolarHBondContact O-N 2.98Å; M300-R304 WeakPolarHBondContact O-CB 3.44Å; M300-R304 PolarHBondContact O-N 3.35Å |
| 301 | Y | 74.1 | Confident | 71 | Confident | 95 Ų | 95 | 93 Ų | 93 | 37% | 0.373 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.4 | -48.5 | 175.1 | 177.9 | -95.3 | 0 | 0 | 0 | 110.8 | E297 K298 Q303 R304 Q305 S313 Q316 | E297-Y301 WeakPolarHBondContact O-CB 3.48Å; E297-Y301 PolarHBondContact O-N 3.44Å; K298-Y301 PolarHBondContact O-N 3.19Å; Y301-Q303 VanDerWaalsContact C-N 3.33Å; Y301-Q303 PolarHBondContact O-N 3.33Å; Y301-R304 PolarHBondContact O-N 3.46Å; Y301-Q305 HydrophobicContact CD1-CG 3.92Å; Y301-Q305 HydrophobicContact CE1-CG 3.63Å; Y301-Q305 HydrophobicContact CE2-CG 4.26Å; Y301-Q305 HydrophobicContact CG-CG 4.38Å; Y301-Q305 VanDerWaalsContact O-CG 3.27Å; Y301-Q305 WeakPolarHBondContact O-CG 3.26Å; Y301-Q305 PolarHBondContact O-N 2.9Å; Y301-Q305 PolarHBondContact OH-NE2 3.01Å; Y301-S313 VanDerWaalsContact CD1-OG 3.25Å; Y301-S313 WeakPolarHBondContact CD1-OG 3.25Å; Y301-S313 WeakPolarHBondContact CE1-OG 3.43Å; Y301-Q316 PolarHBondContact OH-NE2 3.4Å; Y301-Q316 PolarHBondContact OH-OE1 2.92Å |
| 302 | D | 75.8 | Confident | 71.5 | Confident | 24 Ų | 24 | 85.4 Ų | 85.4 | 13% | 0.128 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64 | -37.8 | 179.3 | -73.6 | -12.4 | 0 | 0 | 0 | 112 | K298 Q305 K306 T312 S313 | K298-D302 WeakPolarHBondContact O-CB 3.38Å; K298-D302 VanDerWaalsContact O-CG 3.3Å; K298-D302 PolarHBondContact O-N 3.49Å; D302-Q305 PolarHBondContact O-N 3.41Å; D302-K306 WeakPolarHBondContact O-CB 3.37Å; D302-K306 WeakPolarHBondContact O-CG 3.49Å; D302-K306 PolarHBondContact O-N 3.42Å; D302-T312 HydrophobicContact CB-CG2 4.45Å; D302-S313 WeakPolarHBondContact OD1-CB 3.36Å; D302-S313 PolarHBondContact OD1-N 3.27Å; D302-S313 PolarHBondContact OD1-OG 3.31Å |
| 303 | Q | 66.9 | Low | 72 | Confident | 139 Ų | 139 | 83.6 Ų | 83.6 | 65% | 0.65 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65.1 | -40.7 | 174.8 | -170.6 | 171.4 | 18 | 0 | 0 | 111.8 | M299 M300 Y301 S307 | M299-Q303 VanDerWaalsContact O-CB 3.28Å; M299-Q303 WeakPolarHBondContact O-CB 3.45Å; M299-Q303 PolarHBondContact O-N 3.04Å; M300-Q303 PolarHBondContact O-N 2.98Å; Y301-Q303 VanDerWaalsContact C-N 3.33Å; Y301-Q303 PolarHBondContact O-N 3.33Å; Q303-S307 PolarHBondContact O-N 2.98Å; Q303-S307 PolarHBondContact O-OG 2.89Å |
| 304 | R | 72.8 | Confident | 72.3 | Confident | 172 Ų | 172 | 83.9 Ų | 83.9 | 65% | 0.649 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68.3 | -40.8 | 175.8 | -167.9 | -171.1 | -68.4 | -169.4 | -2.3 | 112.4 | M300 Y301 S307 M308 | M300-R304 WeakPolarHBondContact O-CB 3.44Å; M300-R304 PolarHBondContact O-N 3.35Å; Y301-R304 PolarHBondContact O-N 3.46Å; R304-S307 WeakPolarHBondContact CA-OG 3.42Å; R304-S307 PolarHBondContact O-N 3.48Å; R304-S307 PolarHBondContact O-OG 3.29Å; R304-M308 HydrophobicContact CG-CE 3.69Å; R304-M308 WeakPolarHBondContact O-CB 3.41Å; R304-M308 WeakPolarHBondContact O-CG 3.48Å; R304-M308 PolarHBondContact O-N 3.46Å; R304-M308 VanDerWaalsContact O-N 3.09Å |
| 305 | Q | 74.9 | Confident | 72.8 | Confident | 22 Ų | 22 | 85 Ų | 85 | 10% | 0.103 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 175.1 | -68 | -69.8 | -39 | 0 | 0 | 109.9 | Y301 D302 S307 M308 G309 L310 P311 | Y301-Q305 HydrophobicContact CD1-CG 3.92Å; Y301-Q305 HydrophobicContact CE1-CG 3.63Å; Y301-Q305 HydrophobicContact CE2-CG 4.26Å; Y301-Q305 HydrophobicContact CG-CG 4.38Å; Y301-Q305 VanDerWaalsContact O-CG 3.27Å; Y301-Q305 WeakPolarHBondContact O-CG 3.26Å; Y301-Q305 PolarHBondContact O-N 2.9Å; Y301-Q305 PolarHBondContact OH-NE2 3.01Å; D302-Q305 PolarHBondContact O-N 3.41Å; Q305-S307 PolarHBondContact O-N 2.92Å; Q305-M308 CarbonylContact O-C 3.48Å; Q305-M308 PolarHBondContact O-N 2.92Å; Q305-M308 VanDerWaalsContact O-N 3.13Å; Q305-G309 PolarHBondContact O-N 2.89Å; Q305-G309 VanDerWaalsContact O-N 3.12Å; Q305-L310 CarbonylContact C-O 3.35Å; Q305-L310 HydrophobicContact CB-CB 4.3Å; Q305-L310 PolarHBondContact O-N 3.29Å; Q305-P311 PolarHBondContact OE1-O 2.91Å |
| 306 | K | 76.6 | Confident | 73.2 | Confident | 148 Ų | 148 | 80.9 Ų | 80.9 | 64% | 0.643 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.2 | -44.4 | 176.2 | -76.5 | -179.7 | -174.2 | -177 | 0 | 113 | D302 M308 G309 T312 | D302-K306 WeakPolarHBondContact O-CB 3.37Å; D302-K306 WeakPolarHBondContact O-CG 3.49Å; D302-K306 PolarHBondContact O-N 3.42Å; K306-M308 VanDerWaalsContact C-N 3.25Å; K306-M308 PolarHBondContact O-N 3.49Å; K306-G309 PolarHBondContact O-N 3.31Å; K306-G309 VanDerWaalsContact O-N 3.08Å; K306-T312 HydrophobicContact CD-CG2 4.1Å; K306-T312 HydrophobicContact CG-CG2 3.59Å |
| 307 | S | 66.9 | Low | 73.8 | Confident | 93 Ų | 93 | 85.2 Ų | 85.2 | 65% | 0.65 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.9 | -28.9 | 179 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | Q303 R304 Q305 G309 | Q303-S307 PolarHBondContact O-N 2.98Å; Q303-S307 PolarHBondContact O-OG 2.89Å; R304-S307 WeakPolarHBondContact CA-OG 3.42Å; R304-S307 PolarHBondContact O-N 3.48Å; R304-S307 PolarHBondContact O-OG 3.29Å; Q305-S307 PolarHBondContact O-N 2.92Å; S307-G309 VanDerWaalsContact C-N 3.28Å |
| 308 | M | 71.3 | Confident | 74.1 | Confident | 105 Ų | 105 | 87.7 Ų | 87.7 | 52% | 0.517 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 5.9 | 174.9 | -66.6 | -169.9 | -64.1 | 0 | 0 | 112.8 | R304 Q305 K306 L310 | R304-M308 HydrophobicContact CG-CE 3.69Å; R304-M308 WeakPolarHBondContact O-CB 3.41Å; R304-M308 WeakPolarHBondContact O-CG 3.48Å; R304-M308 PolarHBondContact O-N 3.46Å; R304-M308 VanDerWaalsContact O-N 3.09Å; Q305-M308 CarbonylContact O-C 3.48Å; Q305-M308 PolarHBondContact O-N 2.92Å; Q305-M308 VanDerWaalsContact O-N 3.13Å; K306-M308 VanDerWaalsContact C-N 3.25Å; K306-M308 PolarHBondContact O-N 3.49Å; M308-L310 HydrophobicContact CB-CD1 3.67Å; M308-L310 HydrophobicContact CB-CG 4.05Å; M308-L310 HydrophobicContact CE-CD1 3.69Å; M308-L310 PolarHBondContact O-N 2.92Å; M308-L310 VanDerWaalsContact O-N 3.16Å; M308-L310 HydrophobicContact SD-CD1 4.29Å |
| 309 | G | 71.5 | Confident | 74.2 | Confident | 73 Ų | 73 | 87.7 Ų | 87.7 | 75% | 0.753 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 17.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q305 K306 S307 | Q305-G309 PolarHBondContact O-N 2.89Å; Q305-G309 VanDerWaalsContact O-N 3.12Å; K306-G309 PolarHBondContact O-N 3.31Å; K306-G309 VanDerWaalsContact O-N 3.08Å; S307-G309 VanDerWaalsContact C-N 3.28Å |
| 310 | L | 75.3 | Confident | 74.8 | Confident | 80 Ų | 80 | 85 Ų | 85 | 42% | 0.419 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 153.9 | -179.9 | -68.3 | 160.7 | 0 | 0 | 0 | 110.8 | Q305 M308 T312 | Q305-L310 CarbonylContact C-O 3.35Å; Q305-L310 HydrophobicContact CB-CB 4.3Å; Q305-L310 PolarHBondContact O-N 3.29Å; M308-L310 HydrophobicContact CB-CD1 3.67Å; M308-L310 HydrophobicContact CB-CG 4.05Å; M308-L310 HydrophobicContact CE-CD1 3.69Å; M308-L310 PolarHBondContact O-N 2.92Å; M308-L310 VanDerWaalsContact O-N 3.16Å; M308-L310 HydrophobicContact SD-CD1 4.29Å; L310-T312 PolarHBondContact O-N 3.33Å |
| 311 | P | 74.3 | Confident | 75.5 | Confident | 39 Ų | 39 | 86 Ų | 86 | 25% | 0.253 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 133.6 | -178.9 | -21 | 32.9 | 0 | 0 | 0 | 111.9 | Q305 D315 Q316 | Q305-P311 PolarHBondContact OE1-O 2.91Å; P311-D315 HydrophobicContact CB-CB 3.76Å; P311-Q316 HydrophobicContact CB-CG 3.92Å; P311-Q316 PolarHBondContact O-NE2 3.13Å |
| 312 | T | 79.9 | Confident | 75.5 | Confident | 10 Ų | 10 | 83.9 Ų | 83.9 | 6% | 0.061 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 169.2 | 174.9 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | D302 K306 L310 E314 D315 Q316 | D302-T312 HydrophobicContact CB-CG2 4.45Å; K306-T312 HydrophobicContact CD-CG2 4.1Å; K306-T312 HydrophobicContact CG-CG2 3.59Å; L310-T312 PolarHBondContact O-N 3.33Å; T312-E314 PolarHBondContact O-N 2.74Å; T312-E314 VanDerWaalsContact O-N 3.12Å; T312-E314 PolarHBondContact OG1-N 3.12Å; T312-D315 WeakPolarHBondContact CB-OD2 3.05Å; T312-D315 PolarHBondContact N-OD2 2.94Å; T312-D315 VanDerWaalsContact N-OD2 3.14Å; T312-D315 PolarHBondContact O-N 2.99Å; T312-D315 PolarHBondContact OG1-N 3.44Å; T312-D315 PolarHBondContact OG1-OD2 3.41Å; T312-Q316 WeakPolarHBondContact O-CG 3.12Å; T312-Q316 PolarHBondContact O-N 3.15Å |
| 313 | S | 76.4 | Confident | 75.7 | Confident | 21 Ų | 21 | 88.7 Ų | 88.7 | 15% | 0.147 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -53.6 | -33.3 | 174 | -56.2 | 0 | 0 | 0 | 0 | 112.9 | Y301 D302 K317 | Y301-S313 VanDerWaalsContact CD1-OG 3.25Å; Y301-S313 WeakPolarHBondContact CD1-OG 3.25Å; Y301-S313 WeakPolarHBondContact CE1-OG 3.43Å; D302-S313 WeakPolarHBondContact OD1-CB 3.36Å; D302-S313 PolarHBondContact OD1-N 3.27Å; D302-S313 PolarHBondContact OD1-OG 3.31Å; S313-K317 WeakPolarHBondContact O-CG 3.29Å; S313-K317 PolarHBondContact O-N 3.4Å |
| 314 | E | 76.3 | Confident | 76.4 | Confident | 105 Ų | 105 | 88 Ų | 88 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -77.1 | -38.1 | 177.2 | -73.1 | 178.9 | -172.6 | 0 | 0 | 112.1 | K298 T312 K317 K318 | K298-E314 IonicContact NZ-OE1 3.18Å; K298-E314 PolarHBondContact NZ-OE1 3.43Å; T312-E314 PolarHBondContact O-N 2.74Å; T312-E314 VanDerWaalsContact O-N 3.12Å; T312-E314 PolarHBondContact OG1-N 3.12Å; E314-K317 PolarHBondContact O-N 3.01Å; E314-K318 VanDerWaalsContact O-CG 3.32Å; E314-K318 WeakPolarHBondContact O-CG 3.38Å; E314-K318 PolarHBondContact O-N 3.22Å |
| 315 | D | 77.8 | Confident | 76.7 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 33% | 0.326 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.1 | -37.6 | 176.3 | -56.6 | -40.9 | 0 | 0 | 0 | 111.6 | P311 T312 K318 Q319 | P311-D315 HydrophobicContact CB-CB 3.76Å; T312-D315 WeakPolarHBondContact CB-OD2 3.05Å; T312-D315 PolarHBondContact N-OD2 2.94Å; T312-D315 VanDerWaalsContact N-OD2 3.14Å; T312-D315 PolarHBondContact O-N 2.99Å; T312-D315 PolarHBondContact OG1-N 3.44Å; T312-D315 PolarHBondContact OG1-OD2 3.41Å; D315-K318 PolarHBondContact O-N 3.44Å; D315-Q319 WeakPolarHBondContact O-CB 3.47Å; D315-Q319 VanDerWaalsContact O-CG 3.3Å; D315-Q319 WeakPolarHBondContact O-CG 3.45Å; D315-Q319 PolarHBondContact O-N 3.22Å |
| 316 | Q | 77.8 | Confident | 76.9 | Confident | 59 Ų | 59 | 86 Ų | 86 | 28% | 0.276 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 172.8 | -69.9 | 178 | 11.2 | 0 | 0 | 110.7 | Y301 P311 T312 K318 Q319 D320 | Y301-Q316 PolarHBondContact OH-NE2 3.4Å; Y301-Q316 PolarHBondContact OH-OE1 2.92Å; P311-Q316 HydrophobicContact CB-CG 3.92Å; P311-Q316 PolarHBondContact O-NE2 3.13Å; T312-Q316 WeakPolarHBondContact O-CG 3.12Å; T312-Q316 PolarHBondContact O-N 3.15Å; Q316-K318 VanDerWaalsContact C-N 3.34Å; Q316-K318 PolarHBondContact O-N 3.46Å; Q316-Q319 PolarHBondContact O-N 2.92Å; Q316-D320 WeakPolarHBondContact O-CB 3.39Å; Q316-D320 PolarHBondContact O-N 3.18Å |
| 317 | K | 79.1 | Confident | 77 | Confident | 137 Ų | 137 | 82.7 Ų | 82.7 | 60% | 0.596 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.7 | -43.4 | 174.5 | -78.8 | 179.8 | -178.7 | -174.1 | 0 | 112.3 | S313 E314 D320 I321 | S313-K317 WeakPolarHBondContact O-CG 3.29Å; S313-K317 PolarHBondContact O-N 3.4Å; E314-K317 PolarHBondContact O-N 3.01Å; K317-D320 PolarHBondContact O-N 2.94Å; K317-I321 WeakPolarHBondContact O-CD1 3.33Å; K317-I321 VanDerWaalsContact O-CG1 3.24Å; K317-I321 WeakPolarHBondContact O-CG1 3.37Å; K317-I321 PolarHBondContact O-N 3.45Å |
| 318 | K | 78.3 | Confident | 77.6 | Confident | 135 Ų | 135 | 82.2 Ų | 82.2 | 59% | 0.587 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.2 | -43.6 | 175.9 | -73.4 | 172.8 | -176.2 | 174.3 | 0 | 111.6 | E314 D315 Q316 D320 I321 L322 | E314-K318 VanDerWaalsContact O-CG 3.32Å; E314-K318 WeakPolarHBondContact O-CG 3.38Å; E314-K318 PolarHBondContact O-N 3.22Å; D315-K318 PolarHBondContact O-N 3.44Å; Q316-K318 VanDerWaalsContact C-N 3.34Å; Q316-K318 PolarHBondContact O-N 3.46Å; K318-D320 VanDerWaalsContact C-N 3.33Å; K318-D320 PolarHBondContact O-N 3.09Å; K318-I321 PolarHBondContact O-N 3.45Å; K318-L322 VanDerWaalsContact O-CB 3.29Å; K318-L322 WeakPolarHBondContact O-CB 3.31Å; K318-L322 PolarHBondContact O-N 3.28Å |
| 319 | Q | 77.2 | Confident | 77.7 | Confident | 87 Ų | 87 | 80.4 Ų | 80.4 | 41% | 0.407 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 176.1 | -74.6 | 179.7 | 12.1 | 0 | 0 | 112.1 | D315 Q316 L322 K323 | D315-Q319 WeakPolarHBondContact O-CB 3.47Å; D315-Q319 VanDerWaalsContact O-CG 3.3Å; D315-Q319 WeakPolarHBondContact O-CG 3.45Å; D315-Q319 PolarHBondContact O-N 3.22Å; Q316-Q319 PolarHBondContact O-N 2.92Å; Q319-L322 PolarHBondContact O-N 3.04Å; Q319-K323 WeakPolarHBondContact O-CB 3.43Å; Q319-K323 VanDerWaalsContact O-CG 3.27Å; Q319-K323 WeakPolarHBondContact O-CG 3.43Å; Q319-K323 PolarHBondContact O-N 3.43Å |
| 320 | D | 81.6 | Confident | 77.7 | Confident | 83 Ų | 83 | 82.2 Ų | 82.2 | 44% | 0.444 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.8 | -38.4 | 178.4 | -74 | -17.3 | 0 | 0 | 0 | 112.4 | Q316 K317 K318 K324 | Q316-D320 WeakPolarHBondContact O-CB 3.39Å; Q316-D320 PolarHBondContact O-N 3.18Å; K317-D320 PolarHBondContact O-N 2.94Å; K318-D320 VanDerWaalsContact C-N 3.33Å; K318-D320 PolarHBondContact O-N 3.09Å; D320-K324 WeakPolarHBondContact O-CG 3.42Å; D320-K324 PolarHBondContact O-N 2.73Å |
| 321 | I | 80.4 | Confident | 77.6 | Confident | 117 Ų | 117 | 87.7 Ų | 87.7 | 60% | 0.6 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.6 | -46.4 | 172.5 | -68.3 | 164.9 | 0 | 0 | 0 | 109.8 | K317 K318 K323 K324 F325 | K317-I321 WeakPolarHBondContact O-CD1 3.33Å; K317-I321 VanDerWaalsContact O-CG1 3.24Å; K317-I321 WeakPolarHBondContact O-CG1 3.37Å; K317-I321 PolarHBondContact O-N 3.45Å; K318-I321 PolarHBondContact O-N 3.45Å; I321-K323 PolarHBondContact O-N 3.45Å; I321-K324 PolarHBondContact O-N 3.33Å; I321-F325 WeakPolarHBondContact O-CB 3.49Å; I321-F325 PolarHBondContact O-N 3.36Å |
| 322 | L | 74.7 | Confident | 77.3 | Confident | 51 Ų | 51 | 90.2 Ų | 90.2 | 27% | 0.267 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 178.1 | -177.3 | 65 | 0 | 0 | 0 | 111.9 | K318 Q319 K324 F325 M326 F339 | K318-L322 VanDerWaalsContact O-CB 3.29Å; K318-L322 WeakPolarHBondContact O-CB 3.31Å; K318-L322 PolarHBondContact O-N 3.28Å; Q319-L322 PolarHBondContact O-N 3.04Å; L322-K324 VanDerWaalsContact C-N 3.34Å; L322-K324 PolarHBondContact O-N 3.44Å; L322-F325 WeakPolarHBondContact O-CB 3.49Å; L322-F325 PolarHBondContact O-N 3.31Å; L322-M326 HydrophobicContact CD1-CG 4.49Å; L322-M326 HydrophobicContact CG-CG 4.47Å; L322-M326 HydrophobicContact CG-SD 4.13Å; L322-M326 VanDerWaalsContact O-CG 3.25Å; L322-M326 WeakPolarHBondContact O-CG 3.47Å; L322-M326 PolarHBondContact O-N 3.32Å; L322-F339 HydrophobicContact CD1-CE1 3.82Å; L322-F339 HydrophobicContact CD1-CZ 4.4Å; L322-F339 HydrophobicContact CD2-CD1 3.69Å; L322-F339 HydrophobicContact CD2-CE1 3.5Å; L322-F339 HydrophobicContact CD2-CE2 4.49Å; L322-F339 HydrophobicContact CD2-CG 4.27Å; L322-F339 HydrophobicContact CD2-CZ 3.92Å; L322-F339 HydrophobicContact CG-CE1 4.27Å |
| 323 | K | 80.3 | Confident | 76.7 | Confident | 126 Ų | 126 | 95.5 Ų | 95.5 | 55% | 0.548 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 175.3 | -80.4 | 173.7 | -174.7 | 168.3 | 0 | 112 | Q319 I321 F325 M326 A327 | Q319-K323 WeakPolarHBondContact O-CB 3.43Å; Q319-K323 VanDerWaalsContact O-CG 3.27Å; Q319-K323 WeakPolarHBondContact O-CG 3.43Å; Q319-K323 PolarHBondContact O-N 3.43Å; I321-K323 PolarHBondContact O-N 3.45Å; K323-F325 VanDerWaalsContact C-N 3.34Å; K323-M326 PolarHBondContact O-N 3.48Å; K323-A327 WeakPolarHBondContact O-CB 3.36Å; K323-A327 PolarHBondContact O-N 3.24Å |
| 324 | K | 81.6 | Confident | 76.3 | Confident | 124 Ų | 124 | 96.4 Ų | 96.4 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 175 | -76.9 | 174.7 | -178.1 | 169 | 0 | 111.5 | D320 I321 L322 A327 Q328 | D320-K324 WeakPolarHBondContact O-CG 3.42Å; D320-K324 PolarHBondContact O-N 2.73Å; I321-K324 PolarHBondContact O-N 3.33Å; L322-K324 VanDerWaalsContact C-N 3.34Å; L322-K324 PolarHBondContact O-N 3.44Å; K324-A327 PolarHBondContact O-N 3.16Å; K324-Q328 WeakPolarHBondContact O-CB 3.37Å; K324-Q328 VanDerWaalsContact O-CG 3.3Å; K324-Q328 WeakPolarHBondContact O-CG 3.48Å; K324-Q328 PolarHBondContact O-N 3.34Å |
| 325 | F | 78.5 | Confident | 75.8 | Confident | 80 Ų | 80 | 95.9 Ų | 95.9 | 35% | 0.351 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 176.6 | -174.2 | -101.4 | 0 | 0 | 0 | 112.2 | I321 L322 K323 A327 Q328 H329 M332 F334 | I321-F325 WeakPolarHBondContact O-CB 3.49Å; I321-F325 PolarHBondContact O-N 3.36Å; L322-F325 WeakPolarHBondContact O-CB 3.49Å; L322-F325 PolarHBondContact O-N 3.31Å; K323-F325 VanDerWaalsContact C-N 3.34Å; F325-A327 VanDerWaalsContact C-N 3.33Å; F325-A327 PolarHBondContact O-N 3.1Å; F325-Q328 PolarHBondContact O-N 3.09Å; F325-H329 AromaticContact CD2-CD2 3.7Å; F325-H329 AromaticContact CE2-CD2 3.48Å; F325-H329 VanDerWaalsContact CE2-CD2 3.48Å; F325-H329 WeakPolarHBondContact CE2-CD2 3.39Å; F325-H329 AromaticContact CE2-NE2 3.62Å; F325-H329 AromaticContact CZ-CD2 3.75Å; F325-H329 PolarHBondContact O-CD2 3.19Å; F325-H329 VanDerWaalsContact O-CD2 3.31Å; F325-H329 PolarHBondContact O-N 3.47Å; F325-M332 HydrophobicContact CE1-CE 3.94Å; F325-M332 HydrophobicContact CZ-CE 3.89Å; F325-F334 HydrophobicContact CD1-CE1 4.19Å; F325-F334 AromaticContact CD1-CZ 3.85Å; F325-F334 HydrophobicContact CD1-CZ 3.85Å; F325-F334 AromaticContact CE1-CE1 3.98Å; F325-F334 HydrophobicContact CE1-CE1 3.98Å; F325-F334 AromaticContact CE1-CZ 3.67Å; F325-F334 HydrophobicContact CE1-CZ 3.67Å |
| 326 | M | 78.3 | Confident | 75.2 | Confident | 71 Ų | 71 | 101.8 Ų | 101.8 | 35% | 0.35 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 175.9 | -65.2 | 170.5 | 95.3 | 0 | 0 | 112.2 | L322 K323 Q328 H329 F334 | L322-M326 HydrophobicContact CD1-CG 4.49Å; L322-M326 HydrophobicContact CG-CG 4.47Å; L322-M326 HydrophobicContact CG-SD 4.13Å; L322-M326 VanDerWaalsContact O-CG 3.25Å; L322-M326 WeakPolarHBondContact O-CG 3.47Å; L322-M326 PolarHBondContact O-N 3.32Å; K323-M326 PolarHBondContact O-N 3.48Å; M326-Q328 VanDerWaalsContact C-N 3.33Å; M326-H329 CarbonylContact O-C 3.39Å; M326-H329 PolarHBondContact O-N 3.43Å; M326-F334 HydrophobicContact CB-CD2 4.34Å; M326-F334 HydrophobicContact CB-CE2 4.29Å; M326-F334 HydrophobicContact CE-CB 3.43Å; M326-F334 VanDerWaalsContact CE-CB 3.43Å; M326-F334 HydrophobicContact CE-CD2 3.92Å; M326-F334 HydrophobicContact CE-CG 3.78Å; M326-F334 HydrophobicContact CG-CD2 3.77Å; M326-F334 HydrophobicContact CG-CE2 3.91Å; M326-F334 HydrophobicContact CG-CG 4.1Å; M326-F334 HydrophobicContact CG-CZ 4.34Å |
| 327 | A | 79.3 | Confident | 74.6 | Confident | 79 Ų | 79 | 101.1 Ų | 101.1 | 65% | 0.653 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.9 | -31.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K323 K324 F325 | K323-A327 WeakPolarHBondContact O-CB 3.36Å; K323-A327 PolarHBondContact O-N 3.24Å; K324-A327 PolarHBondContact O-N 3.16Å; F325-A327 VanDerWaalsContact C-N 3.33Å; F325-A327 PolarHBondContact O-N 3.1Å |
| 328 | Q | 80 | Confident | 73.4 | Confident | 84 Ų | 84 | 104.4 Ų | 104.4 | 39% | 0.393 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -80.7 | -19.8 | 176.8 | -72.6 | 174.8 | -6.5 | 0 | 0 | 113.1 | L124 K324 F325 M326 P330 | L124-Q328 VanDerWaalsContact CD2-NE2 3.31Å; K324-Q328 WeakPolarHBondContact O-CB 3.37Å; K324-Q328 VanDerWaalsContact O-CG 3.3Å; K324-Q328 WeakPolarHBondContact O-CG 3.48Å; K324-Q328 PolarHBondContact O-N 3.34Å; F325-Q328 PolarHBondContact O-N 3.09Å; M326-Q328 VanDerWaalsContact C-N 3.33Å; Q328-P330 WeakPolarHBondContact O-CD 3.3Å |
| 329 | H | 73.3 | Confident | 72.5 | Confident | 66 Ų | 66 | 103.9 Ų | 103.9 | 31% | 0.306 | 53% | 0.525 | S | S | . | . | trans | -124.7 | 65.7 | 178.8 | -60.9 | -70.7 | 0 | 0 | 0 | 112.4 | F325 M326 E331 M332 | F325-H329 AromaticContact CD2-CD2 3.7Å; F325-H329 AromaticContact CE2-CD2 3.48Å; F325-H329 VanDerWaalsContact CE2-CD2 3.48Å; F325-H329 WeakPolarHBondContact CE2-CD2 3.39Å; F325-H329 AromaticContact CE2-NE2 3.62Å; F325-H329 AromaticContact CZ-CD2 3.75Å; F325-H329 PolarHBondContact O-CD2 3.19Å; F325-H329 VanDerWaalsContact O-CD2 3.31Å; F325-H329 PolarHBondContact O-N 3.47Å; M326-H329 CarbonylContact O-C 3.39Å; M326-H329 PolarHBondContact O-N 3.43Å; H329-E331 PolarHBondContact O-N 3.48Å; H329-E331 VanDerWaalsContact O-N 3.12Å; H329-M332 HydrophobicContact CB-CE 3.51Å; H329-M332 PolarHBondContact O-N 3.34Å; H329-M332 VanDerWaalsContact O-N 3.15Å | ||
| 330 | P | 72.1 | Confident | 71.2 | Confident | 112 Ų | 112 | 108.7 Ų | 108.7 | 73% | 0.727 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -12.5 | -178.1 | 26.3 | -33.9 | 0 | 0 | 0 | 114.2 | Q328 | Q328-P330 WeakPolarHBondContact O-CD 3.3Š|
| 331 | E | 73.6 | Confident | 70.6 | Confident | 194 Ų | 194 | 110 Ų | 110 | 91% | 0.907 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -14.8 | 176.3 | -61.4 | -169.8 | 175.8 | 0 | 0 | 113.7 | H329 | H329-E331 PolarHBondContact O-N 3.48Å; H329-E331 VanDerWaalsContact O-N 3.12Å |
| 332 | M | 66.7 | Low | 70.1 | Confident | 93 Ų | 93 | 109.6 Ų | 109.6 | 46% | 0.458 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -89.3 | 123.9 | 176.1 | -83.8 | -166 | -79.1 | 0 | 0 | 111 | F325 H329 F334 | F325-M332 HydrophobicContact CE1-CE 3.94Å; F325-M332 HydrophobicContact CZ-CE 3.89Å; H329-M332 HydrophobicContact CB-CE 3.51Å; H329-M332 PolarHBondContact O-N 3.34Å; H329-M332 VanDerWaalsContact O-N 3.15Å; M332-F334 HydrophobicContact CB-CD2 4.22Å; M332-F334 HydrophobicContact CB-CE2 3.5Å; M332-F334 HydrophobicContact CB-CZ 3.71Å; M332-F334 HydrophobicContact CE-CZ 4.08Å; M332-F334 WeakPolarHBondContact O-CD2 3.47Å; M332-F334 WeakPolarHBondContact O-CE2 3.39Å; M332-F334 PolarHBondContact O-N 3.26Å; M332-F334 HydrophobicContact SD-CZ 4.24Å |
| 333 | D | 67.7 | Low | 69.9 | Low | 120 Ų | 120 | 112.9 Ų | 112.9 | 64% | 0.642 | 59% | 0.591 | S | S | * | * | trans | -84.9 | 101.9 | 175.7 | -180 | 15.2 | 0 | 0 | 0 | 111.2 | S335 | D333-S335 VanDerWaalsContact C-N 3.3Å; D333-S335 WeakPolarHBondContact OD1-CB 3.5Å; D333-S335 PolarHBondContact OD1-N 3.37Å; D333-S335 PolarHBondContact OD1-OG 3.17Å; D333-S335 PolarHBondContact OD2-OG 3.49Å | ||
| 334 | F | 67.1 | Low | 69.3 | Low | 41 Ų | 41 | 112.1 Ų | 112.1 | 18% | 0.18 | 59% | 0.593 | C | S | . | * | G | 310 helix | trans | -86.4 | 5 | 177.7 | -63.1 | -85.9 | 0 | 0 | 0 | 113.5 | F325 M326 M332 K336 A337 F339 | F325-F334 HydrophobicContact CD1-CE1 4.19Å; F325-F334 AromaticContact CD1-CZ 3.85Å; F325-F334 HydrophobicContact CD1-CZ 3.85Å; F325-F334 AromaticContact CE1-CE1 3.98Å; F325-F334 HydrophobicContact CE1-CE1 3.98Å; F325-F334 AromaticContact CE1-CZ 3.67Å; F325-F334 HydrophobicContact CE1-CZ 3.67Å; M326-F334 HydrophobicContact CB-CD2 4.34Å; M326-F334 HydrophobicContact CB-CE2 4.29Å; M326-F334 HydrophobicContact CE-CB 3.43Å; M326-F334 VanDerWaalsContact CE-CB 3.43Å; M326-F334 HydrophobicContact CE-CD2 3.92Å; M326-F334 HydrophobicContact CE-CG 3.78Å; M326-F334 HydrophobicContact CG-CD2 3.77Å; M326-F334 HydrophobicContact CG-CE2 3.91Å; M326-F334 HydrophobicContact CG-CG 4.1Å; M326-F334 HydrophobicContact CG-CZ 4.34Å; M332-F334 HydrophobicContact CB-CD2 4.22Å; M332-F334 HydrophobicContact CB-CE2 3.5Å; M332-F334 HydrophobicContact CB-CZ 3.71Å; M332-F334 HydrophobicContact CE-CZ 4.08Å; M332-F334 WeakPolarHBondContact O-CD2 3.47Å; M332-F334 WeakPolarHBondContact O-CE2 3.39Å; M332-F334 PolarHBondContact O-N 3.26Å; M332-F334 HydrophobicContact SD-CZ 4.24Å; F334-K336 PolarHBondContact O-N 3.01Å; F334-K336 VanDerWaalsContact O-N 3.09Å; F334-A337 WeakPolarHBondContact O-CB 3.43Å; F334-A337 PolarHBondContact O-N 2.83Å; F334-A337 VanDerWaalsContact O-N 3.09Å; F334-F339 HydrophobicContact CB-CZ 4.49Å; F334-F339 HydrophobicContact CD1-CZ 4.46Å |
| 335 | S | 67.2 | Low | 68.5 | Low | 93 Ų | 93 | 111.4 Ų | 111.4 | 65% | 0.65 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -62.3 | -18.7 | -177.3 | 67.6 | 0 | 0 | 0 | 0 | 114.3 | D333 | D333-S335 VanDerWaalsContact C-N 3.3Å; D333-S335 WeakPolarHBondContact OD1-CB 3.5Å; D333-S335 PolarHBondContact OD1-N 3.37Å; D333-S335 PolarHBondContact OD1-OG 3.17Å; D333-S335 PolarHBondContact OD2-OG 3.49Å |
| 336 | K | 65.4 | Low | 67.8 | Low | 186 Ų | 186 | 113.5 Ų | 113.5 | 81% | 0.809 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -108 | 1.5 | 177.8 | -63.8 | -178 | -174.8 | 174.1 | 0 | 114.2 | F334 K338 | F334-K336 PolarHBondContact O-N 3.01Å; F334-K336 VanDerWaalsContact O-N 3.09Å; K336-K338 PolarHBondContact O-N 2.95Å |
| 337 | A | 63.6 | Low | 67.1 | Low | 44 Ų | 44 | 116.5 Ų | 116.5 | 36% | 0.364 | 63% | 0.632 | S | S | . | * | trans | -73.7 | 125.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | F334 F339 | F334-A337 WeakPolarHBondContact O-CB 3.43Å; F334-A337 PolarHBondContact O-N 2.83Å; F334-A337 VanDerWaalsContact O-N 3.09Å; A337-F339 HydrophobicContact CB-CD2 4.43Å; A337-F339 HydrophobicContact CB-CE1 3.95Å; A337-F339 HydrophobicContact CB-CE2 3.66Å; A337-F339 HydrophobicContact CB-CZ 3.38Å; A337-F339 WeakPolarHBondContact O-CD2 3.24Å; A337-F339 WeakPolarHBondContact O-CE2 3.34Å | ||
| 338 | K | 54 | Low | 66.1 | Low | 206 Ų | 206 | 119.4 Ų | 119.4 | 90% | 0.896 | 63% | 0.63 | S | S | * | * | trans | -88 | 110.7 | 170.5 | -75.5 | -174.3 | 178.5 | -178.7 | 0 | 108.2 | K336 | K336-K338 PolarHBondContact O-N 2.95Š| ||
| 339 | F | 60.4 | Low | 65 | Low | 124 Ų | 124 | 122.3 Ų | 122.3 | 54% | 0.544 | 65% | 0.65 | S | S | . | * | trans | -93.7 | 105.1 | 172.2 | -52.9 | -77.1 | 0 | 0 | 0 | 107.2 | L322 F334 A337 | L322-F339 HydrophobicContact CD1-CE1 3.82Å; L322-F339 HydrophobicContact CD1-CZ 4.4Å; L322-F339 HydrophobicContact CD2-CD1 3.69Å; L322-F339 HydrophobicContact CD2-CE1 3.5Å; L322-F339 HydrophobicContact CD2-CE2 4.49Å; L322-F339 HydrophobicContact CD2-CG 4.27Å; L322-F339 HydrophobicContact CD2-CZ 3.92Å; L322-F339 HydrophobicContact CG-CE1 4.27Å; F334-F339 HydrophobicContact CB-CZ 4.49Å; F334-F339 HydrophobicContact CD1-CZ 4.46Å; A337-F339 HydrophobicContact CB-CD2 4.43Å; A337-F339 HydrophobicContact CB-CE1 3.95Å; A337-F339 HydrophobicContact CB-CE2 3.66Å; A337-F339 HydrophobicContact CB-CZ 3.38Å; A337-F339 WeakPolarHBondContact O-CD2 3.24Å; A337-F339 WeakPolarHBondContact O-CE2 3.34Å | ||
| 340 | S | 48.5 | Very low | 64.2 | Low | 189 Ų | 189 | 127.5 Ų | 127.5 | 100% | 1.322 | 68% | 0.682 | S | S | * | * | trans | -104.6 | 0 | 171.6 | 67.5 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 340 of 340 residues in 1002 ms
(Link to these results)