| 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 | 43.6 | Very low | 49.4 | Very low | 251 Ų | 251 | 142.8 Ų | 142.8 | 100% | 1.236 | 81% | 0.806 | S | S | * | * | 0 | 123.5 | 0 | -69.9 | 159.2 | 173.6 | 0 | 0 | 106.6 | |||||
| 2 | G | 43.1 | Very low | 50.8 | Low | 74 Ų | 74 | 139.9 Ų | 139.9 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | -101.4 | 122.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | D | 43.3 | Very low | 52.1 | Low | 145 Ų | 145 | 141.3 Ų | 141.3 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | -76.8 | 120.6 | 173.9 | -177.4 | -86.1 | 0 | 0 | 0 | 109.3 | S5 | D3-S5 WeakPolarHBondContact OD1-CB 3.49Å; D3-S5 PolarHBondContact OD1-N 3.47Å | ||
| 4 | T | 44.9 | Very low | 53.2 | Low | 140 Ų | 140 | 136.1 Ų | 136.1 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -109.2 | 52.7 | 173.2 | 59.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 5 | S | 53.8 | Low | 54.6 | Low | 94 Ų | 94 | 129.8 Ų | 129.8 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | trans | -62.4 | 159.3 | 173.8 | -175.7 | 0 | 0 | 0 | 0 | 112.4 | D3 | D3-S5 WeakPolarHBondContact OD1-CB 3.49Å; D3-S5 PolarHBondContact OD1-N 3.47Å | ||
| 6 | E | 53.2 | Low | 56.5 | Low | 157 Ų | 157 | 130.4 Ų | 130.4 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | -67.2 | 137.5 | -156 | -58.6 | -179.2 | 71.9 | 0 | 0 | 115.1 | ||||
| 7 | R | 48.3 | Very low | 58.4 | Low | 228 Ų | 228 | 122.9 Ų | 122.9 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | trans | -140.9 | 84.9 | 131 | -158.2 | 71.7 | 178.7 | -110.9 | 4.6 | 111 | K9 | R7-K9 PolarHBondContact O-N 3.49Š| ||
| 8 | S | 54 | Low | 60 | Low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | trans | -60 | 76.5 | 162.6 | -62.6 | 0 | 0 | 0 | 0 | 109.9 | A10 | S8-A10 PolarHBondContact O-N 3.44Š| ||
| 9 | K | 53.3 | Low | 61.5 | Low | 186 Ų | 186 | 120.7 Ų | 120.7 | 81% | 0.809 | 69% | 0.687 | S | S | * | * | trans | -76.2 | 79.5 | 178.1 | -168 | 170.2 | -172.9 | 175.3 | 0 | 107.7 | R7 S11 | R7-K9 PolarHBondContact O-N 3.49Å; K9-S11 PolarHBondContact O-N 3.36Å | ||
| 10 | A | 51.1 | Low | 62.8 | Low | 81 Ų | 81 | 117 Ų | 117 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | trans | -41.7 | 126.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | S8 S12 | S8-A10 PolarHBondContact O-N 3.44Å; A10-S12 PolarHBondContact O-N 3.43Å | ||
| 11 | S | 55.1 | Low | 64.1 | Low | 115 Ų | 115 | 117 Ų | 117 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | trans | -66.1 | 80.7 | -178 | -59.1 | 0 | 0 | 0 | 0 | 109.4 | K9 L13 | K9-S11 PolarHBondContact O-N 3.36Å; S11-L13 PolarHBondContact O-N 3.14Å | ||
| 12 | S | 65.6 | Low | 66.3 | Low | 108 Ų | 108 | 111.5 Ų | 111.5 | 76% | 0.755 | 63% | 0.634 | S | S | * | * | trans | -57.3 | 104 | -174.2 | 56.5 | 0 | 0 | 0 | 0 | 108.5 | A10 | A10-S12 PolarHBondContact O-N 3.43Š| ||
| 13 | L | 67.8 | Low | 68.4 | Low | 158 Ų | 158 | 108.2 Ų | 108.2 | 83% | 0.827 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -52 | 125.9 | -173.7 | -69.8 | 171.4 | 0 | 0 | 0 | 108.5 | S11 P15 | S11-L13 PolarHBondContact O-N 3.14Å; L13-P15 VanDerWaalsContact O-N 3.17Å |
| 14 | P | 68.1 | Low | 70.5 | Confident | 69 Ų | 69 | 104.7 Ų | 104.7 | 45% | 0.448 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 125.2 | -168 | 19.9 | -32.6 | 0 | 0 | 0 | 109.5 | R16 | P14-R16 PolarHBondContact O-N 3Š|
| 15 | P | 73.6 | Confident | 72.4 | Confident | 41 Ų | 41 | 102.7 Ų | 102.7 | 27% | 0.266 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 128.5 | -161.1 | 22.6 | -34.3 | 0 | 0 | 0 | 110.6 | L13 G23 N29 | L13-P15 VanDerWaalsContact O-N 3.17Å; P15-G23 VanDerWaalsContact O-CA 3.3Å; P15-G23 WeakPolarHBondContact O-CA 3.32Å; P15-G23 PolarHBondContact O-N 3.18Å; P15-N29 HydrophobicContact CB-CB 3.85Å; P15-N29 VanDerWaalsContact CB-OD1 3.29Å; P15-N29 WeakPolarHBondContact CB-OD1 3.44Å; P15-N29 HydrophobicContact CG-CB 4.38Å; P15-N29 WeakPolarHBondContact CG-OD1 3.15Å |
| 16 | R | 85.2 | Confident | 73.9 | Confident | 139 Ų | 139 | 107.9 Ų | 107.9 | 53% | 0.525 | 59% | 0.59 | S | S | . | * | B | Isolated β-bridge | trans | -85.9 | 133 | -176.9 | -66.8 | -65.5 | -171.4 | 147.4 | -1.8 | 110.5 | P14 G20 W22 | P14-R16 PolarHBondContact O-N 3Å; R16-G20 PolarHBondContact NH1-O 3.33Å; R16-W22 VanDerWaalsContact CZ-CE2 3.47Å |
| 17 | C | 89.8 | Confident | 75.6 | Confident | 3 Ų | 3 | 101.9 Ų | 101.9 | 2% | 0.02 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -67.4 | 147.7 | 165.4 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | C19 G20 F21 N29 L30 C31 | C17-C19 PolarHBondContact O-N 2.89Å; C17-C19 PolarHBondContact SG-SG 3.28Å; C17-G20 PolarHBondContact O-N 2.75Å; C17-F21 VanDerWaalsContact CB-O 3.3Å; C17-F21 WeakPolarHBondContact CB-O 3.41Å; C17-F21 PolarHBondContact N-O 3.48Å; C17-N29 WeakPolarHBondContact CA-O 3.36Å; C17-N29 PolarHBondContact N-O 2.94Å; C17-L30 VanDerWaalsContact SG-CA 3.58Å; C17-C31 HydrophobicContact CB-CB 4.06Å; C17-C31 PolarHBondContact SG-N 3.43Å |
| 18 | P | 85.6 | Confident | 77.4 | Confident | 131 Ų | 131 | 98 Ų | 98 | 85% | 0.851 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -16.2 | 177.2 | -30 | 37.1 | 0 | 0 | 0 | 115.7 | G20 | P18-G20 VanDerWaalsContact C-N 3.31Š|
| 19 | C | 89.6 | Confident | 79.1 | Confident | 74 Ų | 74 | 96.7 Ų | 96.7 | 50% | 0.5 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 13.9 | 172.1 | 66.8 | 0 | 0 | 0 | 0 | 114.4 | C17 F21 C31 C34 | C17-C19 PolarHBondContact O-N 2.89Å; C17-C19 PolarHBondContact SG-SG 3.28Å; C19-F21 PolarHBondContact O-N 2.88Å; C19-F21 VanDerWaalsContact O-N 3.14Å; C19-C31 VanDerWaalsContact SG-SG 3.61Å; C19-C34 VanDerWaalsContact SG-SG 3.63Å |
| 20 | G | 87.4 | Confident | 80.9 | Confident | 45 Ų | 45 | 89.6 Ų | 89.6 | 46% | 0.464 | 51% | 0.513 | S | S | . | . | S | Bend | trans | 80.8 | -21.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R16 C17 P18 | R16-G20 PolarHBondContact NH1-O 3.33Å; C17-G20 PolarHBondContact O-N 2.75Å; P18-G20 VanDerWaalsContact C-N 3.31Å |
| 21 | F | 89.9 | Confident | 82.8 | Confident | 117 Ų | 117 | 86.1 Ų | 86.1 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -69.8 | 154.6 | 176.7 | -164.1 | -90.6 | 0 | 0 | 0 | 112 | C17 C19 G23 C31 | C17-F21 VanDerWaalsContact CB-O 3.3Å; C17-F21 WeakPolarHBondContact CB-O 3.41Å; C17-F21 PolarHBondContact N-O 3.48Å; C19-F21 PolarHBondContact O-N 2.88Å; C19-F21 VanDerWaalsContact O-N 3.14Å; F21-G23 PolarHBondContact O-N 2.92Å; F21-C31 HydrophobicContact CB-CB 4.01Å; F21-C31 HydrophobicContact CD1-CB 3.46Å; F21-C31 VanDerWaalsContact CD1-CB 3.46Å; F21-C31 HydrophobicContact CE1-CB 4.33Å; F21-C31 HydrophobicContact CG-CB 4.1Å |
| 22 | W | 89 | Confident | 84.4 | Confident | 136 Ų | 136 | 85.1 Ų | 85.1 | 52% | 0.515 | 48% | 0.477 | S | S | . | . | B | Isolated β-bridge | trans | -67.1 | 121.5 | 176.7 | -68.7 | -85 | 0 | 0 | 0 | 111.8 | R16 | R16-W22 VanDerWaalsContact CZ-CE2 3.47Å |
| 23 | G | 88.1 | Confident | 85.7 | Confident | 6 Ų | 6 | 87.3 Ų | 87.3 | 6% | 0.062 | 47% | 0.473 | C | S | . | . | trans | -88.4 | 177.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P15 F21 N29 L30 | P15-G23 VanDerWaalsContact O-CA 3.3Å; P15-G23 WeakPolarHBondContact O-CA 3.32Å; P15-G23 PolarHBondContact O-N 3.18Å; F21-G23 PolarHBondContact O-N 2.92Å; G23-N29 WeakPolarHBondContact CA-O 3.25Å; G23-L30 WeakPolarHBondContact CA-O 3.39Å | ||
| 24 | S | 86.8 | Confident | 86.9 | Confident | 70 Ų | 70 | 81.5 Ų | 81.5 | 49% | 0.49 | 45% | 0.445 | S | S | . | . | trans | -129.1 | 147.3 | 171.2 | -69.8 | 0 | 0 | 0 | 0 | 109.8 | K26 T27 M28 N29 | S24-K26 PolarHBondContact O-N 3.34Å; S24-T27 PolarHBondContact N-OG1 3.41Å; S24-T27 CarbonylContact O-C 3.46Å; S24-T27 WeakPolarHBondContact O-CA 3.45Å; S24-T27 PolarHBondContact O-N 3.06Å; S24-T27 PolarHBondContact O-OG1 2.7Å; S24-M28 PolarHBondContact O-N 2.69Å; S24-N29 WeakPolarHBondContact O-CA 3.4Å; S24-N29 PolarHBondContact O-N 2.85Å | ||
| 25 | S | 85.9 | Confident | 88 | Confident | 99 Ų | 99 | 80.1 Ų | 80.1 | 69% | 0.692 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -61.1 | -27.7 | 178.2 | -48.7 | 0 | 0 | 0 | 0 | 112.4 | T27 M28 | S25-T27 VanDerWaalsContact C-N 3.28Å; S25-T27 PolarHBondContact O-N 2.83Å; S25-M28 PolarHBondContact O-N 3.44Å |
| 26 | K | 85.1 | Confident | 88.9 | Confident | 203 Ų | 203 | 79.7 Ų | 79.7 | 88% | 0.883 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -68.1 | -22.2 | 172.4 | -170.2 | 172.9 | -178.9 | 179.7 | 0 | 113.8 | S24 | S24-K26 PolarHBondContact O-N 3.34Š|
| 27 | T | 87.7 | Confident | 89.2 | Confident | 30 Ų | 30 | 76.2 Ų | 76.2 | 18% | 0.184 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -109.4 | 31.8 | 177.8 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | S24 S25 N29 L30 F35 | S24-T27 PolarHBondContact N-OG1 3.41Å; S24-T27 CarbonylContact O-C 3.46Å; S24-T27 WeakPolarHBondContact O-CA 3.45Å; S24-T27 PolarHBondContact O-N 3.06Å; S24-T27 PolarHBondContact O-OG1 2.7Å; S25-T27 VanDerWaalsContact C-N 3.28Å; S25-T27 PolarHBondContact O-N 2.83Å; T27-N29 PolarHBondContact O-N 3.19Å; T27-N29 VanDerWaalsContact O-N 3.15Å; T27-L30 WeakPolarHBondContact CB-O 3.46Å; T27-L30 WeakPolarHBondContact O-CB 3.43Å; T27-L30 PolarHBondContact O-N 3.43Å; T27-L30 PolarHBondContact OG1-O 2.91Å; T27-F35 HydrophobicContact CG2-CB 4.47Å; T27-F35 HydrophobicContact CG2-CD1 3.76Å; T27-F35 HydrophobicContact CG2-CD2 4.32Å; T27-F35 HydrophobicContact CG2-CE1 3.99Å; T27-F35 HydrophobicContact CG2-CG 3.93Å; T27-F35 HydrophobicContact CG2-CZ 4.37Å; T27-F35 VanDerWaalsContact O-CD2 3.23Å; T27-F35 WeakPolarHBondContact O-CD2 3.39Å |
| 28 | M | 87.4 | Confident | 89 | Confident | 146 Ų | 146 | 79.2 Ų | 79.2 | 72% | 0.719 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 34.7 | -177.7 | -53.7 | -176.9 | -169.4 | 0 | 0 | 113.7 | S24 S25 L30 F35 | S24-M28 PolarHBondContact O-N 2.69Å; S25-M28 PolarHBondContact O-N 3.44Å; M28-L30 VanDerWaalsContact O-CD1 3.24Å; M28-L30 WeakPolarHBondContact O-CD1 3.48Å; M28-L30 PolarHBondContact O-N 2.83Å; M28-F35 HydrophobicContact CG-CE2 4.34Å |
| 29 | N | 89.3 | Confident | 88.9 | Confident | 73 Ų | 73 | 78.4 Ų | 78.4 | 39% | 0.39 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 8.2 | -175.2 | -53.3 | -35.6 | 0 | 0 | 0 | 115.3 | P15 C17 G23 S24 T27 | P15-N29 HydrophobicContact CB-CB 3.85Å; P15-N29 VanDerWaalsContact CB-OD1 3.29Å; P15-N29 WeakPolarHBondContact CB-OD1 3.44Å; P15-N29 HydrophobicContact CG-CB 4.38Å; P15-N29 WeakPolarHBondContact CG-OD1 3.15Å; C17-N29 WeakPolarHBondContact CA-O 3.36Å; C17-N29 PolarHBondContact N-O 2.94Å; G23-N29 WeakPolarHBondContact CA-O 3.25Å; S24-N29 WeakPolarHBondContact O-CA 3.4Å; S24-N29 PolarHBondContact O-N 2.85Å; T27-N29 PolarHBondContact O-N 3.19Å; T27-N29 VanDerWaalsContact O-N 3.15Å |
| 30 | L | 90.6 | Very high | 88.6 | Confident | 37 Ų | 37 | 82.5 Ų | 82.5 | 19% | 0.194 | 44% | 0.436 | C | S | . | . | trans | -87.4 | 155.1 | 172.2 | -79.8 | 64.7 | 0 | 0 | 0 | 111.3 | C17 G23 T27 M28 C34 F35 V38 | C17-L30 VanDerWaalsContact SG-CA 3.58Å; G23-L30 WeakPolarHBondContact CA-O 3.39Å; T27-L30 WeakPolarHBondContact CB-O 3.46Å; T27-L30 WeakPolarHBondContact O-CB 3.43Å; T27-L30 PolarHBondContact O-N 3.43Å; T27-L30 PolarHBondContact OG1-O 2.91Å; M28-L30 VanDerWaalsContact O-CD1 3.24Å; M28-L30 WeakPolarHBondContact O-CD1 3.48Å; M28-L30 PolarHBondContact O-N 2.83Å; L30-C34 HydrophobicContact CB-CB 4.4Å; L30-C34 HydrophobicContact CD2-CB 4.15Å; L30-C34 HydrophobicContact CG-CB 4.4Å; L30-F35 HydrophobicContact CB-CB 3.99Å; L30-V38 HydrophobicContact CD2-CB 4.27Å; L30-V38 HydrophobicContact CD2-CG2 3.67Å | ||
| 31 | C | 92.1 | Very high | 88.2 | Confident | 8 Ų | 8 | 88.1 Ų | 88.1 | 5% | 0.054 | 45% | 0.448 | C | S | . | . | trans | -73 | 162.2 | 169.2 | 72.7 | 0 | 0 | 0 | 0 | 110.8 | C17 C19 F21 K33 C34 F35 | C17-C31 HydrophobicContact CB-CB 4.06Å; C17-C31 PolarHBondContact SG-N 3.43Å; C19-C31 VanDerWaalsContact SG-SG 3.61Å; F21-C31 HydrophobicContact CB-CB 4.01Å; F21-C31 HydrophobicContact CD1-CB 3.46Å; F21-C31 VanDerWaalsContact CD1-CB 3.46Å; F21-C31 HydrophobicContact CE1-CB 4.33Å; F21-C31 HydrophobicContact CG-CB 4.1Å; C31-K33 PolarHBondContact O-N 3.09Å; C31-K33 VanDerWaalsContact O-N 3.12Å; C31-C34 PolarHBondContact O-N 3.38Å; C31-C34 PolarHBondContact SG-N 3.08Å; C31-C34 VanDerWaalsContact SG-N 3.42Å; C31-F35 WeakPolarHBondContact O-CB 3.39Å; C31-F35 PolarHBondContact O-N 2.81Å | ||
| 32 | S | 88.6 | Confident | 86.9 | Confident | 94 Ų | 94 | 89.3 Ų | 89.3 | 66% | 0.657 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -52.3 | -37.1 | -178.7 | 51.7 | 0 | 0 | 0 | 0 | 114 | A36 | S32-A36 WeakPolarHBondContact O-CB 3.31Å; S32-A36 PolarHBondContact O-N 2.76Å |
| 33 | K | 91.5 | Very high | 85.3 | Confident | 154 Ų | 154 | 87 Ų | 87 | 67% | 0.67 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -70.8 | -58.5 | 178.3 | -167.5 | 175.8 | -178.2 | -177.9 | 0 | 111.9 | C31 F35 A36 D37 | C31-K33 PolarHBondContact O-N 3.09Å; C31-K33 VanDerWaalsContact O-N 3.12Å; K33-F35 VanDerWaalsContact C-N 3.26Å; K33-F35 PolarHBondContact O-N 3.45Å; K33-A36 PolarHBondContact O-N 2.95Å; K33-A36 VanDerWaalsContact O-N 3.12Å; K33-D37 VanDerWaalsContact O-CG 3.29Å; K33-D37 PolarHBondContact O-N 3.36Å |
| 34 | C | 92.6 | Very high | 83.7 | Confident | 37 Ų | 37 | 95.8 Ų | 95.8 | 25% | 0.25 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -62.8 | -32.3 | -179.8 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | C19 L30 C31 D37 V38 | C19-C34 VanDerWaalsContact SG-SG 3.63Å; L30-C34 HydrophobicContact CB-CB 4.4Å; L30-C34 HydrophobicContact CD2-CB 4.15Å; L30-C34 HydrophobicContact CG-CB 4.4Å; C31-C34 PolarHBondContact O-N 3.38Å; C31-C34 PolarHBondContact SG-N 3.08Å; C31-C34 VanDerWaalsContact SG-N 3.42Å; C34-D37 PolarHBondContact O-N 2.94Å; C34-V38 WeakPolarHBondContact O-CG2 3.21Å; C34-V38 PolarHBondContact O-N 3.07Å |
| 35 | F | 91.4 | Very high | 82 | Confident | 39 Ų | 39 | 99.1 Ų | 99.1 | 17% | 0.171 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 174.1 | -174.9 | -107.8 | 0 | 0 | 0 | 111.5 | T27 M28 L30 C31 K33 D37 V38 Q39 | T27-F35 HydrophobicContact CG2-CB 4.47Å; T27-F35 HydrophobicContact CG2-CD1 3.76Å; T27-F35 HydrophobicContact CG2-CD2 4.32Å; T27-F35 HydrophobicContact CG2-CE1 3.99Å; T27-F35 HydrophobicContact CG2-CG 3.93Å; T27-F35 HydrophobicContact CG2-CZ 4.37Å; T27-F35 VanDerWaalsContact O-CD2 3.23Å; T27-F35 WeakPolarHBondContact O-CD2 3.39Å; M28-F35 HydrophobicContact CG-CE2 4.34Å; L30-F35 HydrophobicContact CB-CB 3.99Å; C31-F35 WeakPolarHBondContact O-CB 3.39Å; C31-F35 PolarHBondContact O-N 2.81Å; K33-F35 VanDerWaalsContact C-N 3.26Å; K33-F35 PolarHBondContact O-N 3.45Å; F35-D37 VanDerWaalsContact C-N 3.31Å; F35-D37 PolarHBondContact O-N 3.2Å; F35-V38 PolarHBondContact O-N 3.21Å; F35-Q39 HydrophobicContact CD1-CG 4.41Å; F35-Q39 VanDerWaalsContact CE1-CD 3.45Å; F35-Q39 HydrophobicContact CE1-CG 4.12Å; F35-Q39 HydrophobicContact CZ-CG 4.24Å; F35-Q39 WeakPolarHBondContact O-CG 3.49Å; F35-Q39 PolarHBondContact O-N 3.27Å |
| 36 | A | 92.5 | Very high | 80.3 | Confident | 32 Ų | 32 | 101.9 Ų | 101.9 | 26% | 0.264 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -35 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S32 K33 Q39 K40 | S32-A36 WeakPolarHBondContact O-CB 3.31Å; S32-A36 PolarHBondContact O-N 2.76Å; K33-A36 PolarHBondContact O-N 2.95Å; K33-A36 VanDerWaalsContact O-N 3.12Å; A36-Q39 PolarHBondContact O-N 3.33Å; A36-K40 WeakPolarHBondContact O-CD 3.43Å; A36-K40 WeakPolarHBondContact O-CG 3.36Å; A36-K40 PolarHBondContact O-N 3.42Å |
| 37 | D | 91.3 | Very high | 78.7 | Confident | 67 Ų | 67 | 99.7 Ų | 99.7 | 36% | 0.358 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.7 | -26.9 | 177.2 | -62 | -30.3 | 0 | 0 | 0 | 112.7 | K33 C34 F35 K40 K41 | K33-D37 VanDerWaalsContact O-CG 3.29Å; K33-D37 PolarHBondContact O-N 3.36Å; C34-D37 PolarHBondContact O-N 2.94Å; F35-D37 VanDerWaalsContact C-N 3.31Å; F35-D37 PolarHBondContact O-N 3.2Å; D37-K40 IonicContact OD1-NZ 3.62Å; D37-K41 WeakPolarHBondContact O-CD 3.46Å; D37-K41 WeakPolarHBondContact O-CG 3.34Å |
| 38 | V | 85.8 | Confident | 76.9 | Confident | 66 Ų | 66 | 102.6 Ų | 102.6 | 40% | 0.4 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -77.4 | -41.8 | 169.2 | 168 | 0 | 0 | 0 | 0 | 111.5 | L30 C34 F35 K40 K41 Q42 | L30-V38 HydrophobicContact CD2-CB 4.27Å; L30-V38 HydrophobicContact CD2-CG2 3.67Å; C34-V38 WeakPolarHBondContact O-CG2 3.21Å; C34-V38 PolarHBondContact O-N 3.07Å; F35-V38 PolarHBondContact O-N 3.21Å; V38-K40 VanDerWaalsContact C-N 3.33Å; V38-K40 PolarHBondContact O-N 2.97Å; V38-K41 CarbonylContact O-C 3.58Å; V38-K41 WeakPolarHBondContact O-CA 3.29Å; V38-K41 WeakPolarHBondContact O-CB 3.31Å; V38-K41 PolarHBondContact O-N 3.35Å; V38-Q42 PolarHBondContact O-N 3.08Å |
| 39 | Q | 84.9 | Confident | 74.8 | Confident | 114 Ų | 114 | 101.8 Ų | 101.8 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 175.5 | -76.3 | -171.9 | -47.7 | 0 | 0 | 111.9 | F35 A36 K41 Q42 | F35-Q39 HydrophobicContact CD1-CG 4.41Å; F35-Q39 VanDerWaalsContact CE1-CD 3.45Å; F35-Q39 HydrophobicContact CE1-CG 4.12Å; F35-Q39 HydrophobicContact CZ-CG 4.24Å; F35-Q39 WeakPolarHBondContact O-CG 3.49Å; F35-Q39 PolarHBondContact O-N 3.27Å; A36-Q39 PolarHBondContact O-N 3.33Å; Q39-K41 PolarHBondContact O-N 2.94Å; Q39-Q42 PolarHBondContact O-N 2.91Å |
| 40 | K | 83.2 | Confident | 72.7 | Confident | 160 Ų | 160 | 107.6 Ų | 107.6 | 70% | 0.696 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -1.6 | 172.8 | -66.6 | 165 | -168.2 | 166.1 | 0 | 114.7 | A36 D37 V38 | A36-K40 WeakPolarHBondContact O-CD 3.43Å; A36-K40 WeakPolarHBondContact O-CG 3.36Å; A36-K40 PolarHBondContact O-N 3.42Å; D37-K40 IonicContact OD1-NZ 3.62Å; V38-K40 VanDerWaalsContact C-N 3.33Å; V38-K40 PolarHBondContact O-N 2.97Å |
| 41 | K | 78.1 | Confident | 70.6 | Confident | 163 Ų | 163 | 112 Ų | 112 | 71% | 0.709 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 3.8 | 176 | -69.3 | 176.1 | 176.6 | -65.4 | 0 | 112.4 | D37 V38 Q39 | D37-K41 WeakPolarHBondContact O-CD 3.46Å; D37-K41 WeakPolarHBondContact O-CG 3.34Å; V38-K41 CarbonylContact O-C 3.58Å; V38-K41 WeakPolarHBondContact O-CA 3.29Å; V38-K41 WeakPolarHBondContact O-CB 3.31Å; V38-K41 PolarHBondContact O-N 3.35Å; Q39-K41 PolarHBondContact O-N 2.94Å |
| 42 | Q | 63.5 | Low | 68.7 | Low | 141 Ų | 141 | 118.5 Ų | 118.5 | 66% | 0.659 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -99.7 | 108.5 | 164.9 | -66.5 | -70.1 | -90.6 | 0 | 0 | 106.8 | V38 Q39 | V38-Q42 PolarHBondContact O-N 3.08Å; Q39-Q42 PolarHBondContact O-N 2.91Å |
| 43 | P | 54 | Low | 66.1 | Low | 87 Ų | 87 | 122.9 Ų | 122.9 | 57% | 0.565 | 64% | 0.644 | S | S | * | * | trans | -64.3 | 154.2 | 166.6 | 29.6 | -34.5 | 0 | 0 | 0 | 110.2 | D45 | P43-D45 VanDerWaalsContact C-N 3.26Å; P43-D45 WeakPolarHBondContact CG-OD2 3.41Å; P43-D45 PolarHBondContact O-N 3.33Å | ||
| 44 | E | 55.1 | Low | 63.9 | Low | 191 Ų | 191 | 121 Ų | 121 | 89% | 0.893 | 65% | 0.651 | S | S | * | * | trans | -74.2 | 72 | 171 | 54.1 | -109.6 | 81.5 | 0 | 0 | 112.9 | ||||
| 45 | D | 50.6 | Low | 61.9 | Low | 141 Ų | 141 | 125.5 Ų | 125.5 | 75% | 0.754 | 68% | 0.679 | S | S | * | * | trans | -88 | 129.3 | 168.6 | -77.7 | -67 | 0 | 0 | 0 | 111.3 | P43 | P43-D45 VanDerWaalsContact C-N 3.26Å; P43-D45 WeakPolarHBondContact CG-OD2 3.41Å; P43-D45 PolarHBondContact O-N 3.33Å | ||
| 46 | D | 50.5 | Low | 59.2 | Low | 157 Ų | 157 | 127 Ų | 127 | 84% | 0.84 | 71% | 0.705 | S | S | * | * | trans | -84.9 | -173.2 | -164.9 | -149.9 | -80.5 | 0 | 0 | 0 | 114.2 | ||||
| 47 | L | 52.1 | Low | 56.8 | Low | 156 Ų | 156 | 130.9 Ų | 130.9 | 82% | 0.817 | 73% | 0.731 | S | S | * | * | trans | -78.8 | 134.9 | -167.1 | -63.5 | 172.1 | 0 | 0 | 0 | 114.2 | ||||
| 48 | A | 50.1 | Low | 55 | Low | 91 Ų | 91 | 131.6 Ų | 131.6 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | 56.8 | 101.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 49 | S | 43.5 | Very low | 53.3 | Low | 129 Ų | 129 | 137.1 Ų | 137.1 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | -164.2 | 156.2 | 120.8 | -87 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 50 | K | 44.8 | Very low | 51.3 | Low | 196 Ų | 196 | 136.9 Ų | 136.9 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | trans | -98.7 | 153.5 | 169.4 | -54.4 | 177.7 | -177.8 | 176.1 | 0 | 108.4 | ||||
| 51 | P | 47.2 | Very low | 49.2 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | -140.8 | -173.9 | 86.2 | 36.7 | -20.3 | 0 | 0 | 0 | 114.6 | |||||
| 52 | I | 50.7 | Low | 47.8 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | -94.4 | 143.3 | -170 | -60.5 | 154.4 | 0 | 0 | 0 | 111 | ||||
| 53 | Q | 35.6 | Very low | 46.6 | Very low | 187 Ų | 187 | 132.9 Ų | 132.9 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -173.3 | 144.1 | 132.4 | -103.8 | 151.4 | 111 | 0 | 0 | 114.2 | ||||
| 54 | S | 44.1 | Very low | 46 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -117.8 | 135 | 165.1 | -50.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 55 | P | 50 | Low | 45.3 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | -135.5 | 175.1 | 121.1 | 23 | -3.7 | 0 | 0 | 0 | 111 | |||||
| 56 | G | 36.5 | Very low | 44.6 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | cis | 147.2 | 92.2 | -5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 57 | S | 41.5 | Very low | 44.1 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 78.4 | 130 | 157.4 | -150.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 58 | S | 53.8 | Low | 43.7 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 57% | 0.566 | 76% | 0.76 | S | S | * | * | trans | 85.4 | 114.7 | 135.3 | -73.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 59 | Q | 49.3 | Very low | 43.6 | Very low | 183 Ų | 183 | 124 Ų | 124 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | 73.4 | 148.9 | 130 | -60.5 | 171.2 | 70.4 | 0 | 0 | 117.8 | |||||
| 60 | S | 43.3 | Very low | 43.6 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | cis | -151.2 | 177.3 | 11.9 | 65.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 61 | S | 39.8 | Very low | 43.4 | Very low | 90 Ų | 90 | 118.6 Ų | 118.6 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | cis | -173.8 | 161.2 | -27.3 | 50.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 62 | V | 47.2 | Very low | 43.7 | Very low | 106 Ų | 106 | 117 Ų | 117 | 64% | 0.642 | 74% | 0.736 | S | S | * | * | trans | 61 | 149 | 169.9 | -58.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 63 | F | 38.3 | Very low | 43.2 | Very low | 183 Ų | 183 | 118 Ų | 118 | 80% | 0.803 | 74% | 0.738 | S | S | * | * | cis | -130.4 | 143.1 | 10.9 | -47.3 | -100.2 | 0 | 0 | 0 | 107.9 | ||||
| 64 | S | 41.9 | Very low | 43.4 | Very low | 103 Ų | 103 | 113.8 Ų | 113.8 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | 62.2 | 131.1 | 56.2 | -54.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 65 | S | 41.6 | Very low | 43.2 | Very low | 104 Ų | 104 | 115.7 Ų | 115.7 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | cis | -166.7 | 166.9 | -16.4 | -112.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 66 | D | 35.1 | Very low | 42.8 | Very low | 112 Ų | 112 | 114.4 Ų | 114.4 | 60% | 0.599 | 72% | 0.724 | S | S | * | * | cis | -119.9 | -106.6 | 2.6 | -165.6 | 66.2 | 0 | 0 | 0 | 112.6 | S68 | D66-S68 PolarHBondContact OD2-N 3.26Å; D66-S68 PolarHBondContact OD2-OG 2.85Å | ||
| 67 | S | 40.4 | Very low | 42.6 | Very low | 117 Ų | 117 | 119.1 Ų | 119.1 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | cis | -141.2 | 121 | 3.7 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 68 | S | 44 | Very low | 42.1 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | trans | -78.6 | 166.7 | -178.7 | -48.9 | 0 | 0 | 0 | 0 | 112.9 | D66 | D66-S68 PolarHBondContact OD2-N 3.26Å; D66-S68 PolarHBondContact OD2-OG 2.85Å | ||
| 69 | S | 46.5 | Very low | 41.4 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | cis | -163.6 | 165.7 | 5 | -153.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 70 | S | 43.5 | Very low | 41.5 | Very low | 101 Ų | 101 | 119 Ų | 119 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | 65 | 148 | 139.1 | -70.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 71 | S | 42 | Very low | 41.9 | Very low | 109 Ų | 109 | 119.4 Ų | 119.4 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | cis | -159.7 | 169.2 | -8 | -98.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 72 | S | 53.5 | Low | 41.4 | Very low | 96 Ų | 96 | 118.6 Ų | 118.6 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | trans | -53.6 | 164.1 | 154.8 | -45.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 73 | E | 39.3 | Very low | 40.8 | Very low | 166 Ų | 166 | 119.7 Ų | 119.7 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | -147.6 | 146.8 | 50.5 | -44.3 | -67.6 | 10.8 | 0 | 0 | 109.2 | |||||
| 74 | S | 40.3 | Very low | 40.9 | Very low | 98 Ų | 98 | 120 Ų | 120 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | 87.1 | 130.5 | 70.5 | 107.7 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 75 | L | 39.9 | Very low | 41.4 | Very low | 153 Ų | 153 | 120 Ų | 120 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | trans | 76.8 | 107.5 | 154.1 | -54.8 | 179.3 | 0 | 0 | 0 | 124.4 | ||||
| 76 | S | 40.3 | Very low | 41.5 | Very low | 105 Ų | 105 | 121.2 Ų | 121.2 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | 56.3 | 135.6 | 120.6 | -55.1 | 0 | 0 | 0 | 0 | 126.6 | |||||
| 77 | L | 33.3 | Very low | 41.5 | Very low | 168 Ų | 168 | 121.6 Ų | 121.6 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | trans | 71.2 | 150.5 | 155.3 | -109 | 71.1 | 0 | 0 | 0 | 117.2 | ||||
| 78 | S | 30.8 | Very low | 41.4 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | cis | -151.3 | 179.5 | 18.8 | -57.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 79 | L | 38.3 | Very low | 41 | Very low | 159 Ų | 159 | 120.1 Ų | 120.1 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -71.8 | 174.8 | 158.7 | -123.5 | 74 | 0 | 0 | 0 | 111 | ||||
| 80 | P | 52.8 | Low | 40.6 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | cis | -141.8 | -131.7 | 47.1 | 32.9 | -4 | 0 | 0 | 0 | 115.4 | ||||
| 81 | P | 51.4 | Low | 40.3 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | -133.6 | 170.2 | -103 | 43.3 | -26.3 | 0 | 0 | 0 | 118.1 | |||||
| 82 | G | 28 | Very low | 39.9 | Very low | 73 Ų | 73 | 122.9 Ų | 122.9 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | 95 | 118.3 | 130.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 83 | S | 35.1 | Very low | 38.8 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -165.5 | 142.4 | 144.5 | -79 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 84 | E | 40.3 | Very low | 38.9 | Very low | 189 Ų | 189 | 122 Ų | 122 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 167.5 | -171.8 | -102.2 | -151.7 | 105.3 | 0 | 0 | 114.6 | ||
| 85 | P | 52.7 | Low | 38.7 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 168.6 | 179.3 | 39.5 | -35.5 | 0 | 0 | 0 | 113.8 | ||
| 86 | P | 43.9 | Very low | 38.3 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 166.7 | 154.9 | 35.9 | -30 | 0 | 0 | 0 | 112.3 | ||
| 87 | S | 35.8 | Very low | 38.3 | Very low | 120 Ų | 120 | 124 Ų | 124 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -135.1 | 155.9 | -162.4 | -166.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 88 | A | 37.1 | Very low | 39 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | 27.3 | 123.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 89 | A | 36.1 | Very low | 39.3 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | -164.8 | 142.4 | 127.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 90 | E | 38 | Very low | 39.2 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | 59.7 | 127.6 | 54.9 | -83.7 | -105.6 | 69.3 | 0 | 0 | 113 | |||||
| 91 | S | 37 | Very low | 38.3 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | cis | -151.8 | 158.5 | 9.7 | -52.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 92 | A | 34.3 | Very low | 37.6 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | 52.1 | 148.3 | 138.2 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 93 | A | 31 | Very low | 38 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 96.8 | 109.7 | 138.3 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 94 | M | 40.3 | Very low | 38 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | 71.5 | 124.4 | 125.8 | -59.8 | -73.4 | 93.2 | 0 | 0 | 123 | |||||
| 95 | F | 35.9 | Very low | 37.9 | Very low | 169 Ų | 169 | 124.3 Ų | 124.3 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | 39 | 131.5 | 144.5 | -71.9 | -82.4 | 0 | 0 | 0 | 122.8 | ||||
| 96 | S | 31.7 | Very low | 37.3 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | -149.9 | 132.2 | 129.7 | -83.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 97 | S | 39.8 | Very low | 37.1 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -117.3 | 137.4 | 174.8 | -57.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 98 | R | 47.8 | Very low | 37.2 | Very low | 222 Ų | 222 | 125 Ų | 125 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | -169.7 | 128 | 164.1 | -100.1 | 174.4 | 80.8 | -153.9 | 3.9 | 105 | ||||
| 99 | T | 37.1 | Very low | 37.5 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 61% | 0.607 | 77% | 0.765 | S | S | * | * | 54.9 | 132.2 | 56 | 90 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 100 | E | 36.8 | Very low | 37.4 | Very low | 164 Ų | 164 | 128 Ų | 128 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | cis | -107.7 | -179.2 | 4.2 | -46.6 | -54 | 131.1 | 0 | 0 | 109.7 | ||||
| 101 | G | 34.4 | Very low | 37.7 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | cis | 107.8 | 78.2 | 10.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 102 | V | 36 | Very low | 37.8 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 87% | 0.873 | 77% | 0.767 | S | S | * | * | trans | -140.2 | 147.7 | 171.2 | -171.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 103 | T | 36.9 | Very low | 37.6 | Very low | 124 Ų | 124 | 129 Ų | 129 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | -108.8 | -166 | -173.7 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 104 | S | 35.7 | Very low | 37.9 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | 86.3 | 119.4 | 178.5 | -46.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 105 | T | 37.2 | Very low | 38.4 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | cis | 95.2 | 90.7 | 25.5 | -50.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 106 | E | 40.8 | Very low | 38.3 | Very low | 165 Ų | 165 | 127.3 Ų | 127.3 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | trans | 70.9 | 145.4 | 138.4 | -119.8 | -161.3 | 86.9 | 0 | 0 | 125.4 | ||||
| 107 | T | 38.4 | Very low | 38.9 | Very low | 110 Ų | 110 | 130 Ų | 130 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | trans | 39.9 | 120.3 | 150.1 | 38.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 108 | A | 39.4 | Very low | 39.2 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | 163.7 | 164.6 | 108.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 109 | Q | 42.2 | Very low | 39.1 | Very low | 186 Ų | 186 | 130.6 Ų | 130.6 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | cis | -164.1 | 165.5 | -32.6 | -100.4 | -178.9 | 24.5 | 0 | 0 | 108.6 | ||||
| 110 | G | 33.9 | Very low | 39.2 | Very low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | 136.2 | 97 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 111 | T | 44.5 | Very low | 39 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | cis | 72.8 | 126.9 | 44.7 | -35.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 112 | L | 38.8 | Very low | 39.4 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | cis | -97.3 | -151.9 | 7.8 | -66.7 | 160.2 | 0 | 0 | 0 | 111.4 | ||||
| 113 | C | 31.5 | Very low | 39.2 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | cis | -155.2 | -167.6 | 3 | -152.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 114 | T | 36.4 | Very low | 39 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -150.1 | -169.8 | -170 | 66.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 115 | P | 50.4 | Low | 39.1 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | cis | -141.2 | 176.7 | -3.3 | 42.3 | -24.4 | 0 | 0 | 0 | 117.6 | ||||
| 116 | T | 34.6 | Very low | 39.6 | Very low | 141 Ų | 141 | 133 Ų | 133 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | -161.9 | 160.6 | 128.1 | -81.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 117 | K | 44.6 | Very low | 39.5 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -61.8 | 148.2 | -165.2 | -64.5 | 178.5 | 178.8 | 177.8 | 0 | 114.4 | ||||
| 118 | R | 45 | Very low | 39.4 | Very low | 228 Ų | 228 | 134.6 Ų | 134.6 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | 66.7 | 148.7 | 53.2 | -95.4 | -161.7 | -77.2 | 174 | -9.1 | 114.1 | |||||
| 119 | P | 46.1 | Very low | 39.5 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | cis | -107.6 | 163.3 | 7 | 3.8 | 22 | 0 | 0 | 0 | 114.6 | ||||
| 120 | R | 40.6 | Very low | 39.2 | Very low | 193 Ų | 193 | 135 Ų | 135 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | 69.4 | 141.7 | 77.2 | -140.7 | 178.2 | 177.9 | -107.6 | 5.5 | 112.2 | |||||
| 121 | E | 31.8 | Very low | 39.7 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | cis | -143.5 | 143.8 | 19.2 | 2.3 | -126.7 | 78 | 0 | 0 | 108.8 | ||||
| 122 | S | 41.7 | Very low | 39.6 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | 72.2 | 84.5 | 55.6 | -57.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 123 | A | 32.1 | Very low | 39.9 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -161 | 158.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 124 | S | 34.3 | Very low | 40.4 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -52.8 | 159.3 | -172.3 | -152.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 125 | S | 37.1 | Very low | 41.2 | Very low | 100 Ų | 100 | 144.9 Ų | 144.9 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -72 | 151 | 147.6 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 126 | P | 47 | Very low | 40.7 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | -142.2 | -179.5 | 107 | 39.4 | -26.2 | 0 | 0 | 0 | 114.6 | |||||
| 127 | E | 39.4 | Very low | 40.8 | Very low | 183 Ų | 183 | 150.1 Ų | 150.1 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -74.1 | 155 | -177.1 | -56 | 166.5 | 91.5 | 0 | 0 | 114.7 | ||||
| 128 | S | 37 | Very low | 40.8 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | trans | -177.5 | 155.5 | 139.4 | 23.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 129 | E | 40.8 | Very low | 40.9 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -80.3 | 150.5 | 178.6 | -63.1 | -173.6 | 89.5 | 0 | 0 | 113.9 | ||||
| 130 | A | 36.2 | Very low | 41.2 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -157.5 | 100 | 153.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P132 | A130-P132 WeakPolarHBondContact O-CD 3.37Š| ||
| 131 | T | 43.9 | Very low | 41.7 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -78.3 | 135.3 | 170.1 | -61.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 132 | P | 42.6 | Very low | 42.9 | Very low | 116 Ų | 116 | 150.6 Ų | 150.6 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -134 | 136.3 | 136.4 | 34.8 | -24 | 0 | 0 | 0 | 113.1 | A130 K134 | A130-P132 WeakPolarHBondContact O-CD 3.37Å; P132-K134 PolarHBondContact O-N 3.16Å | ||
| 133 | E | 45.6 | Very low | 42.8 | Very low | 137 Ų | 137 | 148.3 Ų | 148.3 | 64% | 0.64 | 81% | 0.805 | S | S | * | * | trans | -58.9 | 135.1 | 172.4 | -93.6 | -154.6 | 92.4 | 0 | 0 | 111.8 | R135 | E133-R135 WeakPolarHBondContact OE1-CG 3.47Å; E133-R135 IonicContact OE1-CZ 3.44Å; E133-R135 IonicContact OE1-NE 3.47Å; E133-R135 PolarHBondContact OE1-NE 3.01Å; E133-R135 IonicContact OE1-NH2 3.99Å; E133-R135 PolarHBondContact OE1-NH2 3.47Å; E133-R135 IonicContact OE2-NE 3.58Å; E133-R135 IonicContact OE2-NH2 2.9Å; E133-R135 PolarHBondContact OE2-NH2 2.88Å | ||
| 134 | K | 42.1 | Very low | 43.2 | Very low | 203 Ų | 203 | 151.1 Ų | 151.1 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -143 | 99.1 | 152.4 | -110.9 | 178.1 | -176.5 | 175.4 | 0 | 110.6 | P132 P136 | P132-K134 PolarHBondContact O-N 3.16Å; K134-P136 WeakPolarHBondContact O-CD 3.4Å | ||
| 135 | R | 51.5 | Low | 43.5 | Very low | 202 Ų | 202 | 149.1 Ų | 149.1 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71 | 136.3 | 171.5 | -55.2 | 179.2 | -171.2 | -171.3 | 2.8 | 110.6 | E133 | E133-R135 WeakPolarHBondContact OE1-CG 3.47Å; E133-R135 IonicContact OE1-CZ 3.44Å; E133-R135 IonicContact OE1-NE 3.47Å; E133-R135 PolarHBondContact OE1-NE 3.01Å; E133-R135 IonicContact OE1-NH2 3.99Å; E133-R135 PolarHBondContact OE1-NH2 3.47Å; E133-R135 IonicContact OE2-NE 3.58Å; E133-R135 IonicContact OE2-NH2 2.9Å; E133-R135 PolarHBondContact OE2-NH2 2.88Å |
| 136 | P | 40.7 | Very low | 43.9 | Very low | 125 Ų | 125 | 153.3 Ų | 153.3 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 155.7 | 141.8 | -15 | 32.3 | 0 | 0 | 0 | 110.3 | K134 | K134-P136 WeakPolarHBondContact O-CD 3.4Š|
| 137 | R | 37.7 | Very low | 44.1 | Very low | 237 Ų | 237 | 154.1 Ų | 154.1 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 151.1 | -177.5 | 179.9 | 177.2 | 176.1 | 177.7 | -1.8 | 110.8 | ||
| 138 | T | 44.2 | Very low | 44.7 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 63% | 0.626 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 133.2 | 173.3 | -43.8 | 0 | 0 | 0 | 0 | 113.6 | E140 | T138-E140 HydrophobicContact CG2-CG 3.81Š|
| 139 | E | 46.8 | Very low | 45.4 | Very low | 193 Ų | 193 | 154.5 Ų | 154.5 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -123.3 | 106.8 | 144.1 | -73.5 | -156.9 | 144.3 | 0 | 0 | 108.5 | ||||
| 140 | E | 53 | Low | 46.3 | Very low | 179 Ų | 179 | 148.4 Ų | 148.4 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -77.8 | 123.7 | 164.3 | -75.2 | 166.9 | 124.6 | 0 | 0 | 107.8 | T138 | T138-E140 HydrophobicContact CG2-CG 3.81Š| ||
| 141 | K | 50.9 | Low | 47.8 | Very low | 191 Ų | 191 | 148.3 Ų | 148.3 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | -131.6 | 81.8 | 168.3 | -169 | 168.6 | -176.9 | 171.1 | 0 | 110.5 | G143 | K141-G143 PolarHBondContact O-N 3.46Š| ||
| 142 | E | 57.1 | Low | 49.3 | Very low | 199 Ų | 199 | 146.9 Ų | 146.9 | 93% | 0.93 | 77% | 0.766 | S | S | * | * | trans | -55.1 | 130.1 | 156.4 | -62.4 | -160.9 | 115.4 | 0 | 0 | 108.6 | ||||
| 143 | G | 39.2 | Very low | 51.2 | Low | 62 Ų | 62 | 149.5 Ų | 149.5 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | trans | -159.5 | 35.6 | -152.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K141 | K141-G143 PolarHBondContact O-N 3.46Š| ||
| 144 | N | 39.9 | Very low | 53.2 | Low | 167 Ų | 167 | 144.4 Ų | 144.4 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | trans | 36.8 | 100.1 | 160 | -172.2 | 11.3 | 0 | 0 | 0 | 117.2 | ||||
| 145 | G | 41.7 | Very low | 55.3 | Low | 74 Ų | 74 | 145.2 Ų | 145.2 | 76% | 0.763 | 75% | 0.745 | S | S | * | * | trans | -164.6 | 87.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 146 | E | 44.2 | Very low | 57.2 | Low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | trans | -52.1 | 145 | -177.2 | -167 | 176.1 | 98.9 | 0 | 0 | 112.8 | S148 | E146-S148 VanDerWaalsContact C-N 3.26Å; E146-S148 PolarHBondContact O-N 3.37Å | ||
| 147 | E | 51.4 | Low | 59.7 | Low | 139 Ų | 139 | 138.2 Ų | 138.2 | 65% | 0.65 | 71% | 0.71 | S | S | * | * | trans | -68.7 | 70.4 | -166.4 | -163.4 | -163.4 | 85.1 | 0 | 0 | 114.2 | R149 | E147-R149 HydrophobicContact CG-CG 4.32Å; E147-R149 PolarHBondContact O-N 2.85Å; E147-R149 WeakPolarHBondContact OE1-CG 3.19Å; E147-R149 IonicContact OE1-CZ 2.7Å; E147-R149 IonicContact OE1-NE 3.74Å; E147-R149 PolarHBondContact OE1-NE 3.4Å; E147-R149 IonicContact OE1-NH2 2.69Å; E147-R149 PolarHBondContact OE1-NH2 3.12Å; E147-R149 IonicContact OE2-NH2 3.15Å | ||
| 148 | S | 52.3 | Low | 62.5 | Low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 70% | 0.697 | S | S | * | * | trans | -63.9 | 101 | 159.2 | -73.1 | 0 | 0 | 0 | 0 | 108.8 | E146 G150 | E146-S148 VanDerWaalsContact C-N 3.26Å; E146-S148 PolarHBondContact O-N 3.37Å; S148-G150 PolarHBondContact O-N 3.3Å | ||
| 149 | R | 51.4 | Low | 65 | Low | 204 Ų | 204 | 135.5 Ų | 135.5 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | trans | -61.7 | 79.9 | 175.3 | -68.2 | -169.1 | 174.8 | -132.9 | -21.8 | 111.3 | E147 T151 | E147-R149 HydrophobicContact CG-CG 4.32Å; E147-R149 PolarHBondContact O-N 2.85Å; E147-R149 WeakPolarHBondContact OE1-CG 3.19Å; E147-R149 IonicContact OE1-CZ 2.7Å; E147-R149 IonicContact OE1-NE 3.74Å; E147-R149 PolarHBondContact OE1-NE 3.4Å; E147-R149 IonicContact OE1-NH2 2.69Å; E147-R149 PolarHBondContact OE1-NH2 3.12Å; E147-R149 IonicContact OE2-NH2 3.15Å; R149-T151 PolarHBondContact O-N 2.82Å | ||
| 150 | G | 59.3 | Low | 67.3 | Low | 59 Ų | 59 | 126.4 Ų | 126.4 | 61% | 0.608 | 65% | 0.646 | S | S | * | * | trans | -76.1 | 105.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S148 | S148-G150 PolarHBondContact O-N 3.3Š| ||
| 151 | T | 67.5 | Low | 69.4 | Low | 97 Ų | 97 | 123.7 Ų | 123.7 | 60% | 0.595 | 63% | 0.628 | S | S | * | * | trans | -46.5 | 134.7 | 162.8 | -41.2 | 0 | 0 | 0 | 0 | 110 | R149 K153 | R149-T151 PolarHBondContact O-N 2.82Å; T151-K153 PolarHBondContact O-N 3.48Å | ||
| 152 | P | 75.5 | Confident | 71.4 | Confident | 97 Ų | 97 | 119.7 Ų | 119.7 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | trans | -63.3 | 102.8 | -170.5 | 22.6 | -34.3 | 0 | 0 | 0 | 113.2 | Y181 | P152-Y181 PolarHBondContact O-OH 3.36Å; P152-Y181 VanDerWaalsContact O-OH 3.09Å | ||
| 153 | K | 83 | Confident | 73.3 | Confident | 171 Ų | 171 | 112.6 Ų | 112.6 | 74% | 0.743 | 58% | 0.58 | S | S | * | * | trans | -72 | 147.5 | -178.1 | -64.7 | 173.6 | -175.5 | 170.6 | 0 | 112.4 | T151 K155 | T151-K153 PolarHBondContact O-N 3.48Å; K153-K155 PolarHBondContact O-N 2.93Å | ||
| 154 | Q | 88 | Confident | 75.9 | Confident | 30 Ų | 30 | 115.2 Ų | 115.2 | 14% | 0.14 | 58% | 0.575 | C | S | . | * | trans | -67.6 | 112 | -177.8 | -170.6 | 175.7 | -22.7 | 0 | 0 | 113.1 | N156 R159 G180 Y181 | Q154-N156 VanDerWaalsContact C-N 3.31Å; Q154-N156 PolarHBondContact NE2-O 3.09Å; Q154-N156 PolarHBondContact O-N 2.94Å; Q154-R159 PolarHBondContact NE2-O 2.74Å; Q154-G180 PolarHBondContact N-O 3.35Å; Q154-Y181 HydrophobicContact CB-CD1 3.88Å; Q154-Y181 HydrophobicContact CB-CE1 4.41Å; Q154-Y181 HydrophobicContact CG-CD1 4.4Å | ||
| 155 | K | 86.8 | Confident | 78.6 | Confident | 221 Ų | 221 | 110.9 Ų | 110.9 | 96% | 0.961 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -57.9 | -35.8 | -179.9 | -65 | -175.6 | -180 | -179 | 0 | 114.1 | K153 | K153-K155 PolarHBondContact O-N 2.93Š|
| 156 | N | 89.8 | Confident | 81.3 | Confident | 92 Ų | 92 | 115.4 Ų | 115.4 | 49% | 0.492 | 55% | 0.554 | S | S | . | * | trans | -118.7 | 93.8 | 179 | -174 | -12.4 | 0 | 0 | 0 | 110.8 | Q154 R158 | Q154-N156 VanDerWaalsContact C-N 3.31Å; Q154-N156 PolarHBondContact NE2-O 3.09Å; Q154-N156 PolarHBondContact O-N 2.94Å; N156-R158 VanDerWaalsContact C-N 3.27Å; N156-R158 PolarHBondContact O-N 2.91Å; N156-R158 WeakPolarHBondContact OD1-CB 3.36Å; N156-R158 PolarHBondContact OD1-N 3.2Å | ||
| 157 | R | 94.3 | Very high | 83.8 | Confident | 88 Ų | 88 | 107 Ų | 107 | 33% | 0.332 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -13.4 | 177.7 | -68.9 | -172.7 | 67.3 | -144.6 | -3.5 | 114.3 | R159 Q172 E173 V182 | R157-R159 PolarHBondContact O-N 2.96Å; R157-R159 VanDerWaalsContact O-N 3.08Å; R157-Q172 HydrophobicContact CB-CG 3.95Å; R157-Q172 PolarHBondContact NH2-O 3.19Å; R157-Q172 WeakPolarHBondContact O-CG 3.42Å; R157-Q172 PolarHBondContact O-OE1 2.94Å; R157-E173 IonicContact CZ-OE1 2.75Å; R157-E173 VanDerWaalsContact CZ-OE1 3.29Å; R157-E173 IonicContact CZ-OE2 3.28Å; R157-E173 IonicContact NH1-OE1 3.67Å; R157-E173 PolarHBondContact NH1-OE1 2.93Å; R157-E173 IonicContact NH1-OE2 3.56Å; R157-E173 IonicContact NH2-OE1 2.67Å; R157-E173 PolarHBondContact NH2-OE1 2.89Å; R157-E173 IonicContact NH2-OE2 2.75Å; R157-E173 PolarHBondContact NH2-OE2 3.24Å; R157-V182 HydrophobicContact CB-CG2 3.98Å; R157-V182 HydrophobicContact CG-CG2 3.77Å |
| 158 | R | 95.7 | Very high | 85.9 | Confident | 165 Ų | 165 | 106.6 Ų | 106.6 | 62% | 0.623 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 9.9 | -177.3 | -56.9 | 180 | 178.6 | -90.9 | 8.3 | 114 | N156 L167 | N156-R158 VanDerWaalsContact C-N 3.27Å; N156-R158 PolarHBondContact O-N 2.91Å; N156-R158 WeakPolarHBondContact OD1-CB 3.36Å; N156-R158 PolarHBondContact OD1-N 3.2Å; R158-L167 PolarHBondContact O-N 2.67Å |
| 159 | R | 96.6 | Very high | 87.9 | Confident | 117 Ų | 117 | 107.2 Ų | 107.2 | 44% | 0.442 | 51% | 0.507 | S | S | . | . | B | Isolated β-bridge | trans | -142.8 | 141.7 | -174.2 | -132.4 | 179.6 | -161.4 | -144.8 | -3.7 | 110.1 | Q154 R157 Y161 Q164 T165 | Q154-R159 PolarHBondContact NE2-O 2.74Å; R157-R159 PolarHBondContact O-N 2.96Å; R157-R159 VanDerWaalsContact O-N 3.08Å; R159-Y161 PolarHBondContact O-N 3.47Å; R159-Q164 VanDerWaalsContact CD-O 3.32Å; R159-Q164 WeakPolarHBondContact CD-O 3.09Å; R159-Q164 VanDerWaalsContact CG-O 3.25Å; R159-Q164 WeakPolarHBondContact CG-O 3.41Å; R159-Q164 PolarHBondContact NE-O 3.21Å; R159-Q164 PolarHBondContact NH2-O 3.1Å; R159-T165 CarbonylContact C-O 3.59Å; R159-T165 WeakPolarHBondContact CA-O 3.3Å; R159-T165 WeakPolarHBondContact CG-O 3.32Å |
| 160 | C | 96.3 | Very high | 90 | Very high | 2 Ų | 2 | 102.3 Ų | 102.3 | 1% | 0.014 | 50% | 0.499 | C | S | . | . | trans | -63.2 | 129 | 172.8 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | R162 C163 Q164 T165 L167 V182 C184 | C160-R162 VanDerWaalsContact C-N 3.33Å; C160-R162 PolarHBondContact O-N 3.25Å; C160-C163 PolarHBondContact SG-SG 2.9Å; C160-Q164 WeakPolarHBondContact O-CA 3.47Å; C160-Q164 PolarHBondContact O-N 2.7Å; C160-T165 PolarHBondContact N-O 2.75Å; C160-L167 HydrophobicContact CB-CD2 4.24Å; C160-V182 CarbonylContact C-O 3.55Å; C160-V182 WeakPolarHBondContact CA-O 3.43Å; C160-C184 HydrophobicContact CB-CB 4.21Å; C160-C184 PolarHBondContact SG-N 2.97Å; C160-C184 VanDerWaalsContact SG-N 3.41Å | ||
| 161 | Y | 95.8 | Very high | 91.7 | Very high | 121 Ų | 121 | 101.7 Ų | 101.7 | 48% | 0.475 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -35.6 | 179 | -175.2 | -118 | 0 | 0 | 0 | 112.8 | R159 Y181 V182 F183 | R159-Y161 PolarHBondContact O-N 3.47Å; Y161-Y181 AromaticContact CD1-CD1 3.65Å; Y161-Y181 HydrophobicContact CD1-CD1 3.65Å; Y161-Y181 HydrophobicContact CD1-CD2 4.16Å; Y161-Y181 HydrophobicContact CD1-CE1 4.22Å; Y161-Y181 AromaticContact CD1-CG 3.67Å; Y161-Y181 HydrophobicContact CD1-CG 3.67Å; Y161-Y181 AromaticContact CD2-CD1 3.61Å; Y161-Y181 HydrophobicContact CD2-CD1 3.61Å; Y161-Y181 AromaticContact CD2-CE1 4Å; Y161-Y181 HydrophobicContact CD2-CE1 4Å; Y161-Y181 HydrophobicContact CD2-CG 4.42Å; Y161-Y181 AromaticContact CE1-CD1 3.77Å; Y161-Y181 HydrophobicContact CE1-CD1 3.77Å; Y161-Y181 HydrophobicContact CE1-CD2 4.11Å; Y161-Y181 AromaticContact CE1-CE1 3.85Å; Y161-Y181 HydrophobicContact CE1-CE1 3.85Å; Y161-Y181 HydrophobicContact CE1-CE2 4.14Å; Y161-Y181 AromaticContact CE1-CG 3.96Å; Y161-Y181 HydrophobicContact CE1-CG 3.96Å; Y161-Y181 AromaticContact CE2-CD1 3.74Å; Y161-Y181 HydrophobicContact CE2-CD1 3.74Å; Y161-Y181 AromaticContact CE2-CE1 3.61Å; Y161-Y181 HydrophobicContact CE2-CE1 3.61Å; Y161-Y181 AromaticContact CG-CD1 3.57Å; Y161-Y181 HydrophobicContact CG-CD1 3.57Å; Y161-Y181 HydrophobicContact CG-CE1 4.29Å; Y161-Y181 AromaticContact CG-CG 3.93Å; Y161-Y181 HydrophobicContact CG-CG 3.93Å; Y161-Y181 AromaticContact CZ-CD1 3.82Å; Y161-Y181 AromaticContact CZ-CE1 3.53Å; Y161-Y181 AromaticContact CZ-CZ 3.91Å; Y161-V182 PolarHBondContact N-O 3.42Å; Y161-F183 HydrophobicContact CD1-CE1 4.13Å; Y161-F183 HydrophobicContact CD1-CZ 4.18Å; Y161-F183 HydrophobicContact CG-CE1 4.45Å |
| 162 | R | 94.6 | Very high | 93.1 | Very high | 107 Ų | 107 | 98.3 Ų | 98.3 | 40% | 0.404 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -51.9 | -177.1 | -176.4 | 54.8 | 62 | 139.6 | -4.3 | 113.8 | C160 F183 H187 H193 D194 | C160-R162 VanDerWaalsContact C-N 3.33Å; C160-R162 PolarHBondContact O-N 3.25Å; R162-F183 HydrophobicContact CB-CD1 4.1Å; R162-F183 HydrophobicContact CB-CE1 4.08Å; R162-H187 HydrophobicContact CB-CB 4.21Å; R162-H193 PolarHBondContact NH2-O 3.2Å; R162-D194 IonicContact CZ-OD2 3.14Å; R162-D194 IonicContact NH1-OD2 2.9Å; R162-D194 PolarHBondContact NH1-OD2 3.37Å; R162-D194 IonicContact NH2-OD2 2.9Å; R162-D194 PolarHBondContact NH2-OD2 3.17Å |
| 163 | C | 95.6 | Very high | 94 | Very high | 50 Ų | 50 | 98.3 Ų | 98.3 | 34% | 0.338 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 1.7 | -173.3 | 69.1 | 0 | 0 | 0 | 0 | 114.9 | C160 T165 H187 | C160-C163 PolarHBondContact SG-SG 2.9Å; C163-T165 PolarHBondContact O-N 3.39Å; C163-T165 PolarHBondContact SG-OG1 2.9Å; C163-H187 VanDerWaalsContact CB-CE1 3.45Å; C163-H187 WeakPolarHBondContact CB-CE1 3.28Å; C163-H187 PolarHBondContact SG-CE1 3.34Å; C163-H187 PolarHBondContact SG-ND1 2.9Å; C163-H187 VanDerWaalsContact SG-ND1 3.36Å |
| 164 | Q | 94.7 | Very high | 94.6 | Very high | 117 Ų | 117 | 96 Ų | 96 | 55% | 0.547 | 44% | 0.444 | S | S | . | . | trans | 54.9 | 20.4 | 178.7 | -53.3 | -162.4 | 26.1 | 0 | 0 | 116.7 | R159 C160 | R159-Q164 VanDerWaalsContact CD-O 3.32Å; R159-Q164 WeakPolarHBondContact CD-O 3.09Å; R159-Q164 VanDerWaalsContact CG-O 3.25Å; R159-Q164 WeakPolarHBondContact CG-O 3.41Å; R159-Q164 PolarHBondContact NE-O 3.21Å; R159-Q164 PolarHBondContact NH2-O 3.1Å; C160-Q164 WeakPolarHBondContact O-CA 3.47Å; C160-Q164 PolarHBondContact O-N 2.7Å | ||
| 165 | T | 96.7 | Very high | 95 | Very high | 76 Ų | 76 | 94.7 Ų | 94.7 | 47% | 0.466 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 139.4 | 166.8 | -45.2 | 0 | 0 | 0 | 0 | 110.2 | R159 C160 C163 | R159-T165 CarbonylContact C-O 3.59Å; R159-T165 WeakPolarHBondContact CA-O 3.3Å; R159-T165 WeakPolarHBondContact CG-O 3.32Å; C160-T165 PolarHBondContact N-O 2.75Å; C163-T165 PolarHBondContact O-N 3.39Å; C163-T165 PolarHBondContact SG-OG1 2.9Å |
| 166 | K | 97.3 | Very high | 95.4 | Very high | 170 Ų | 170 | 87.2 Ų | 87.2 | 74% | 0.739 | 42% | 0.415 | S | S | * | . | B | Isolated β-bridge | trans | -62.8 | 136.3 | 171.8 | -177.3 | -176 | 176.9 | -172.2 | 0 | 109.3 | ||
| 167 | L | 96.7 | Very high | 95.6 | Very high | 11 Ų | 11 | 83.8 Ų | 83.8 | 6% | 0.058 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -103.7 | 143.3 | 179.2 | -57.9 | -179.2 | 0 | 0 | 0 | 111.1 | R158 C160 Q171 V182 C184 | R158-L167 PolarHBondContact O-N 2.67Å; C160-L167 HydrophobicContact CB-CD2 4.24Å; L167-Q171 HydrophobicContact CB-CB 4.22Å; L167-Q171 HydrophobicContact CD2-CB 4.33Å; L167-V182 HydrophobicContact CD1-CB 4.33Å; L167-V182 HydrophobicContact CD1-CG1 3.54Å; L167-C184 HydrophobicContact CD2-CB 3.62Å |
| 168 | E | 95.6 | Very high | 95.5 | Very high | 132 Ų | 132 | 86 Ų | 86 | 62% | 0.617 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 164.4 | 164.9 | -62 | -176.6 | 155 | 0 | 0 | 111.1 | V170 Q171 Q172 | E168-V170 VanDerWaalsContact C-N 3.29Å; E168-V170 PolarHBondContact O-N 3Å; E168-Q171 HydrophobicContact CB-CB 4.45Å; E168-Q171 HydrophobicContact CB-CG 4.23Å; E168-Q171 PolarHBondContact O-N 3.37Å; E168-Q171 VanDerWaalsContact O-N 3.12Å; E168-Q172 WeakPolarHBondContact O-CB 3.41Å; E168-Q172 PolarHBondContact O-N 2.97Å |
| 169 | L | 95.3 | Very high | 95.4 | Very high | 125 Ų | 125 | 79 Ų | 79 | 65% | 0.654 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59 | -40.5 | -178.3 | -137.7 | 74.9 | 0 | 0 | 0 | 112.4 | Q172 E173 | L169-Q172 PolarHBondContact O-N 3.36Å; L169-E173 PolarHBondContact O-N 2.71Å |
| 170 | V | 95.6 | Very high | 95.2 | Very high | 100 Ų | 100 | 75.1 Ų | 75.1 | 61% | 0.606 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.9 | -42.1 | 176.5 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | E168 Q172 E173 L174 | E168-V170 VanDerWaalsContact C-N 3.29Å; E168-V170 PolarHBondContact O-N 3Å; V170-Q172 VanDerWaalsContact C-N 3.32Å; V170-Q172 PolarHBondContact O-N 3.06Å; V170-E173 PolarHBondContact O-N 3.14Å; V170-L174 HydrophobicContact CG1-CD1 3.73Å; V170-L174 HydrophobicContact CG1-CG 4.2Å; V170-L174 WeakPolarHBondContact O-CB 3.19Å; V170-L174 WeakPolarHBondContact O-CG 3.44Å; V170-L174 PolarHBondContact O-N 3.38Å |
| 171 | Q | 95.6 | Very high | 95.1 | Very high | 47 Ų | 47 | 77.1 Ų | 77.1 | 22% | 0.22 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.8 | -32.4 | 176.3 | -65.5 | -179.7 | -11.7 | 0 | 0 | 112.4 | L167 E168 E173 G175 | L167-Q171 HydrophobicContact CB-CB 4.22Å; L167-Q171 HydrophobicContact CD2-CB 4.33Å; E168-Q171 HydrophobicContact CB-CB 4.45Å; E168-Q171 HydrophobicContact CB-CG 4.23Å; E168-Q171 PolarHBondContact O-N 3.37Å; E168-Q171 VanDerWaalsContact O-N 3.12Å; Q171-E173 VanDerWaalsContact C-N 3.27Å; Q171-E173 PolarHBondContact O-N 3.16Å; Q171-G175 WeakPolarHBondContact O-CA 3.45Å; Q171-G175 PolarHBondContact O-N 2.84Å |
| 172 | Q | 95.6 | Very high | 95.2 | Very high | 25 Ų | 25 | 71.5 Ų | 71.5 | 12% | 0.117 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.3 | -30.3 | 178.9 | -174.3 | -178.1 | -73.5 | 0 | 0 | 112.8 | R157 E168 L169 V170 V182 | R157-Q172 HydrophobicContact CB-CG 3.95Å; R157-Q172 PolarHBondContact NH2-O 3.19Å; R157-Q172 WeakPolarHBondContact O-CG 3.42Å; R157-Q172 PolarHBondContact O-OE1 2.94Å; E168-Q172 WeakPolarHBondContact O-CB 3.41Å; E168-Q172 PolarHBondContact O-N 2.97Å; L169-Q172 PolarHBondContact O-N 3.36Å; V170-Q172 VanDerWaalsContact C-N 3.32Å; V170-Q172 PolarHBondContact O-N 3.06Å; Q172-V182 HydrophobicContact CG-CG1 4.17Å; Q172-V182 WeakPolarHBondContact O-CG1 3.42Å |
| 173 | E | 94.8 | Very high | 95.3 | Very high | 97 Ų | 97 | 66.4 Ų | 66.4 | 45% | 0.453 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -91.4 | -46 | 175.8 | -57.4 | -48.5 | 134.8 | 0 | 0 | 111.7 | R157 L169 V170 Q171 G175 S176 | R157-E173 IonicContact CZ-OE1 2.75Å; R157-E173 VanDerWaalsContact CZ-OE1 3.29Å; R157-E173 IonicContact CZ-OE2 3.28Å; R157-E173 IonicContact NH1-OE1 3.67Å; R157-E173 PolarHBondContact NH1-OE1 2.93Å; R157-E173 IonicContact NH1-OE2 3.56Å; R157-E173 IonicContact NH2-OE1 2.67Å; R157-E173 PolarHBondContact NH2-OE1 2.89Å; R157-E173 IonicContact NH2-OE2 2.75Å; R157-E173 PolarHBondContact NH2-OE2 3.24Å; L169-E173 PolarHBondContact O-N 2.71Å; V170-E173 PolarHBondContact O-N 3.14Å; Q171-E173 VanDerWaalsContact C-N 3.27Å; Q171-E173 PolarHBondContact O-N 3.16Å; E173-G175 PolarHBondContact O-N 2.88Å; E173-S176 WeakPolarHBondContact O-CB 3.41Å; E173-S176 PolarHBondContact O-N 2.85Å; E173-S176 VanDerWaalsContact O-N 3.1Å; E173-S176 PolarHBondContact O-OG 3.17Å |
| 174 | L | 95.9 | Very high | 95.4 | Very high | 122 Ų | 122 | 64.6 Ų | 64.6 | 64% | 0.639 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.6 | -27 | 175.3 | -69.6 | -179.3 | 0 | 0 | 0 | 113.9 | V170 | V170-L174 HydrophobicContact CG1-CD1 3.73Å; V170-L174 HydrophobicContact CG1-CG 4.2Å; V170-L174 WeakPolarHBondContact O-CB 3.19Å; V170-L174 WeakPolarHBondContact O-CG 3.44Å; V170-L174 PolarHBondContact O-N 3.38Å |
| 175 | G | 95.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 64.6 Ų | 64.6 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 6.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q171 E173 C177 V182 F183 | Q171-G175 WeakPolarHBondContact O-CA 3.45Å; Q171-G175 PolarHBondContact O-N 2.84Å; E173-G175 PolarHBondContact O-N 2.88Å; G175-C177 PolarHBondContact O-N 3.24Å; G175-V182 CarbonylContact O-C 3.45Å; G175-V182 WeakPolarHBondContact O-CA 3.35Å; G175-F183 WeakPolarHBondContact CA-O 3.21Å; G175-F183 PolarHBondContact O-N 3.26Å |
| 176 | S | 95.6 | Very high | 95.4 | Very high | 63 Ų | 63 | 67.1 Ų | 67.1 | 44% | 0.441 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -74.4 | 121.8 | 175.6 | 67.5 | 0 | 0 | 0 | 0 | 110.6 | E173 | E173-S176 WeakPolarHBondContact O-CB 3.41Å; E173-S176 PolarHBondContact O-N 2.85Å; E173-S176 VanDerWaalsContact O-N 3.1Å; E173-S176 PolarHBondContact O-OG 3.17Å |
| 177 | C | 94.8 | Very high | 95.4 | Very high | 20 Ų | 20 | 61.1 Ų | 61.1 | 14% | 0.135 | 32% | 0.319 | C | S | . | . | trans | -103.7 | 150.8 | -178.4 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | G175 C179 G180 Y181 F183 H193 C195 | G175-C177 PolarHBondContact O-N 3.24Å; C177-C179 PolarHBondContact O-N 2.9Å; C177-G180 PolarHBondContact O-N 3.03Å; C177-Y181 PolarHBondContact N-O 2.86Å; C177-F183 HydrophobicContact CB-CD2 4.01Å; C177-F183 HydrophobicContact CB-CE2 3.81Å; C177-H193 VanDerWaalsContact SG-CE1 3.58Å; C177-H193 PolarHBondContact SG-NE2 3.02Å; C177-C195 VanDerWaalsContact SG-SG 3.61Å | ||
| 178 | R | 91.8 | Very high | 95.3 | Very high | 134 Ų | 134 | 67 Ų | 67 | 51% | 0.506 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -7.7 | 178.7 | -71.2 | -167.4 | -179.8 | -161.2 | 0.7 | 114.2 | F197 R202 E206 | R178-F197 HydrophobicContact CB-CD1 4.04Å; R178-F197 HydrophobicContact CB-CG 4.49Å; R178-R202 PolarHBondContact O-NH2 2.83Å; R178-E206 IonicContact CZ-OE2 3.17Å; R178-E206 IonicContact NH1-OE2 2.67Å; R178-E206 PolarHBondContact NH1-OE2 2.93Å; R178-E206 IonicContact NH2-OE2 3.03Å; R178-E206 PolarHBondContact NH2-OE2 3.43Å |
| 179 | C | 93.1 | Very high | 95.3 | Very high | 20 Ų | 20 | 64.3 Ų | 64.3 | 14% | 0.135 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.9 | 172.1 | 66.9 | 0 | 0 | 0 | 0 | 115.1 | C177 Y181 F197 | C177-C179 PolarHBondContact O-N 2.9Å; C179-Y181 HydrophobicContact CB-CD2 4.48Å; C179-F197 HydrophobicContact CB-CB 3.84Å |
| 180 | G | 92.3 | Very high | 95.3 | Very high | 35 Ų | 35 | 60.5 Ų | 60.5 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 91.3 | 8.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q154 C177 | Q154-G180 PolarHBondContact N-O 3.35Å; C177-G180 PolarHBondContact O-N 3.03Å |
| 181 | Y | 95.4 | Very high | 95.2 | Very high | 43 Ų | 43 | 63.9 Ų | 63.9 | 17% | 0.169 | 32% | 0.322 | C | S | . | . | trans | -109.3 | 163 | 174 | -61.7 | -70.8 | 0 | 0 | 0 | 111.3 | P152 Q154 Y161 C177 C179 F183 | P152-Y181 PolarHBondContact O-OH 3.36Å; P152-Y181 VanDerWaalsContact O-OH 3.09Å; Q154-Y181 HydrophobicContact CB-CD1 3.88Å; Q154-Y181 HydrophobicContact CB-CE1 4.41Å; Q154-Y181 HydrophobicContact CG-CD1 4.4Å; Y161-Y181 AromaticContact CD1-CD1 3.65Å; Y161-Y181 HydrophobicContact CD1-CD1 3.65Å; Y161-Y181 HydrophobicContact CD1-CD2 4.16Å; Y161-Y181 HydrophobicContact CD1-CE1 4.22Å; Y161-Y181 AromaticContact CD1-CG 3.67Å; Y161-Y181 HydrophobicContact CD1-CG 3.67Å; Y161-Y181 AromaticContact CD2-CD1 3.61Å; Y161-Y181 HydrophobicContact CD2-CD1 3.61Å; Y161-Y181 AromaticContact CD2-CE1 4Å; Y161-Y181 HydrophobicContact CD2-CE1 4Å; Y161-Y181 HydrophobicContact CD2-CG 4.42Å; Y161-Y181 AromaticContact CE1-CD1 3.77Å; Y161-Y181 HydrophobicContact CE1-CD1 3.77Å; Y161-Y181 HydrophobicContact CE1-CD2 4.11Å; Y161-Y181 AromaticContact CE1-CE1 3.85Å; Y161-Y181 HydrophobicContact CE1-CE1 3.85Å; Y161-Y181 HydrophobicContact CE1-CE2 4.14Å; Y161-Y181 AromaticContact CE1-CG 3.96Å; Y161-Y181 HydrophobicContact CE1-CG 3.96Å; Y161-Y181 AromaticContact CE2-CD1 3.74Å; Y161-Y181 HydrophobicContact CE2-CD1 3.74Å; Y161-Y181 AromaticContact CE2-CE1 3.61Å; Y161-Y181 HydrophobicContact CE2-CE1 3.61Å; Y161-Y181 AromaticContact CG-CD1 3.57Å; Y161-Y181 HydrophobicContact CG-CD1 3.57Å; Y161-Y181 HydrophobicContact CG-CE1 4.29Å; Y161-Y181 AromaticContact CG-CG 3.93Å; Y161-Y181 HydrophobicContact CG-CG 3.93Å; Y161-Y181 AromaticContact CZ-CD1 3.82Å; Y161-Y181 AromaticContact CZ-CE1 3.53Å; Y161-Y181 AromaticContact CZ-CZ 3.91Å; C177-Y181 PolarHBondContact N-O 2.86Å; C179-Y181 HydrophobicContact CB-CD2 4.48Å; Y181-F183 HydrophobicContact CG-CZ 4.46Å | ||
| 182 | V | 96.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -124.2 | 137.6 | -178.5 | -167.7 | 0 | 0 | 0 | 0 | 110.7 | R157 C160 Y161 L167 Q172 G175 | R157-V182 HydrophobicContact CB-CG2 3.98Å; R157-V182 HydrophobicContact CG-CG2 3.77Å; C160-V182 CarbonylContact C-O 3.55Å; C160-V182 WeakPolarHBondContact CA-O 3.43Å; Y161-V182 PolarHBondContact N-O 3.42Å; L167-V182 HydrophobicContact CD1-CB 4.33Å; L167-V182 HydrophobicContact CD1-CG1 3.54Å; Q172-V182 HydrophobicContact CG-CG1 4.17Å; Q172-V182 WeakPolarHBondContact O-CG1 3.42Å; G175-V182 CarbonylContact O-C 3.45Å; G175-V182 WeakPolarHBondContact O-CA 3.35Å |
| 183 | F | 97.4 | Very high | 95 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | trans | -129.6 | 162.1 | -170.1 | -60.1 | -78.4 | 0 | 0 | 0 | 112.9 | Y161 R162 G175 C177 Y181 H187 H193 | Y161-F183 HydrophobicContact CD1-CE1 4.13Å; Y161-F183 HydrophobicContact CD1-CZ 4.18Å; Y161-F183 HydrophobicContact CG-CE1 4.45Å; R162-F183 HydrophobicContact CB-CD1 4.1Å; R162-F183 HydrophobicContact CB-CE1 4.08Å; G175-F183 WeakPolarHBondContact CA-O 3.21Å; G175-F183 PolarHBondContact O-N 3.26Å; C177-F183 HydrophobicContact CB-CD2 4.01Å; C177-F183 HydrophobicContact CB-CE2 3.81Å; Y181-F183 HydrophobicContact CG-CZ 4.46Å; F183-H187 HydrophobicContact CB-CB 3.99Å; F183-H187 VanDerWaalsContact CB-O 3.31Å; F183-H187 WeakPolarHBondContact CB-O 3.3Å; F183-H187 HydrophobicContact CD1-CB 3.94Å; F183-H187 HydrophobicContact CG-CB 4.31Å; F183-H187 VanDerWaalsContact CG-O 3.29Å; F183-H187 WeakPolarHBondContact CG-O 3.47Å; F183-H193 HydrophobicContact CD1-CB 3.86Å; F183-H193 AromaticContact CD2-CE1 3.88Å; F183-H193 AromaticContact CD2-ND1 3.83Å; F183-H193 HydrophobicContact CE1-CB 3.34Å; F183-H193 AromaticContact CE1-CG 3.62Å; F183-H193 HydrophobicContact CE2-CB 4.32Å; F183-H193 AromaticContact CE2-CD2 3.51Å; F183-H193 AromaticContact CE2-CE1 3.64Å; F183-H193 AromaticContact CE2-CG 3.65Å; F183-H193 AromaticContact CE2-ND1 3.72Å; F183-H193 AromaticContact CE2-NE2 3.49Å; F183-H193 WeakPolarHBondContact CE2-NE2 3.36Å; F183-H193 HydrophobicContact CZ-CB 3.61Å; F183-H193 AromaticContact CZ-CD2 3.31Å; F183-H193 WeakPolarHBondContact CZ-CD2 3.33Å; F183-H193 AromaticContact CZ-CG 3.37Å; F183-H193 AromaticContact CZ-ND1 3.91Å; F183-H193 AromaticContact CZ-NE2 3.83Å | ||
| 184 | C | 97.1 | Very high | 94.8 | Very high | 12 Ų | 12 | 64.4 Ų | 64.4 | 8% | 0.081 | 33% | 0.328 | C | S | . | . | trans | -82.1 | 172.3 | 165.7 | 66.1 | 0 | 0 | 0 | 0 | 110.5 | C160 L167 L186 H187 R188 | C160-C184 HydrophobicContact CB-CB 4.21Å; C160-C184 PolarHBondContact SG-N 2.97Å; C160-C184 VanDerWaalsContact SG-N 3.41Å; L167-C184 HydrophobicContact CD2-CB 3.62Å; C184-L186 PolarHBondContact O-N 3.42Å; C184-H187 CarbonylContact O-C 3.43Å; C184-H187 PolarHBondContact O-N 2.84Å; C184-H187 PolarHBondContact SG-ND1 3.45Å; C184-R188 PolarHBondContact O-N 2.96Å; C184-R188 VanDerWaalsContact O-N 3.16Å | ||
| 185 | M | 95.4 | Very high | 94.7 | Very high | 116 Ų | 116 | 59.8 Ų | 59.8 | 57% | 0.571 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.1 | -176.9 | -57.7 | -159 | -58.2 | 0 | 0 | 114.4 | ||
| 186 | L | 96.7 | Very high | 94.5 | Very high | 130 Ų | 130 | 67.9 Ų | 67.9 | 68% | 0.681 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.5 | 177 | -58.3 | 179 | 0 | 0 | 0 | 114.1 | C184 Q192 | C184-L186 PolarHBondContact O-N 3.42Å; L186-Q192 PolarHBondContact O-NE2 3.3Å; L186-Q192 PolarHBondContact O-OE1 3.12Å |
| 187 | H | 96.6 | Very high | 94.4 | Very high | 43 Ų | 43 | 67.1 Ų | 67.1 | 20% | 0.199 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -127 | 12 | -178.2 | -59.8 | 105.2 | 0 | 0 | 0 | 113.2 | R162 C163 F183 C184 Q192 H193 | R162-H187 HydrophobicContact CB-CB 4.21Å; C163-H187 VanDerWaalsContact CB-CE1 3.45Å; C163-H187 WeakPolarHBondContact CB-CE1 3.28Å; C163-H187 PolarHBondContact SG-CE1 3.34Å; C163-H187 PolarHBondContact SG-ND1 2.9Å; C163-H187 VanDerWaalsContact SG-ND1 3.36Å; F183-H187 HydrophobicContact CB-CB 3.99Å; F183-H187 VanDerWaalsContact CB-O 3.31Å; F183-H187 WeakPolarHBondContact CB-O 3.3Å; F183-H187 HydrophobicContact CD1-CB 3.94Å; F183-H187 HydrophobicContact CG-CB 4.31Å; F183-H187 VanDerWaalsContact CG-O 3.29Å; F183-H187 WeakPolarHBondContact CG-O 3.47Å; C184-H187 CarbonylContact O-C 3.43Å; C184-H187 PolarHBondContact O-N 2.84Å; C184-H187 PolarHBondContact SG-ND1 3.45Å; H187-Q192 PolarHBondContact CD2-O 3.47Å; H187-H193 PolarHBondContact O-ND1 3.05Å |
| 188 | R | 96.3 | Very high | 94.3 | Very high | 134 Ų | 134 | 70.7 Ų | 70.7 | 51% | 0.506 | 35% | 0.353 | S | S | . | . | trans | -74.8 | -27.4 | -173.7 | 72.2 | -178.6 | -179.6 | 174.7 | 0.4 | 113.9 | C184 Q192 | C184-R188 PolarHBondContact O-N 2.96Å; C184-R188 VanDerWaalsContact O-N 3.16Å; R188-Q192 VanDerWaalsContact N-OE1 3.11Å | ||
| 189 | L | 94.8 | Very high | 94.2 | Very high | 76 Ų | 76 | 67.7 Ų | 67.7 | 40% | 0.398 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -79.6 | 148.1 | -179 | -56.9 | 177 | 0 | 0 | 0 | 110 | E191 Q192 H193 | L189-E191 VanDerWaalsContact C-N 3.25Å; L189-E191 PolarHBondContact O-N 2.93Å; L189-Q192 HydrophobicContact CB-CG 3.99Å; L189-Q192 WeakPolarHBondContact O-CB 3.19Å; L189-Q192 PolarHBondContact O-N 3.42Å; L189-H193 PolarHBondContact O-CE1 3.2Å; L189-H193 PolarHBondContact O-ND1 3.12Å |
| 190 | P | 94.3 | Very high | 94.1 | Very high | 46 Ų | 46 | 73.5 Ų | 73.5 | 30% | 0.299 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -54.9 | -39.4 | -175.8 | -28.6 | 37.1 | 0 | 0 | 0 | 114.2 | Q192 H193 D194 C195 | P190-Q192 VanDerWaalsContact C-N 3.26Å; P190-Q192 PolarHBondContact O-N 3.03Å; P190-H193 PolarHBondContact O-N 2.86Å; P190-D194 PolarHBondContact O-N 3.28Å; P190-C195 HydrophobicContact CB-CB 3.66Å; P190-C195 WeakPolarHBondContact O-CB 3.35Å; P190-C195 PolarHBondContact O-N 3.28Å; P190-C195 VanDerWaalsContact O-N 3.08Å |
| 191 | E | 93.3 | Very high | 94.2 | Very high | 170 Ų | 170 | 72.9 Ų | 72.9 | 79% | 0.794 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -63.5 | -27.4 | 177.3 | -63.1 | 161.1 | -177.8 | 0 | 0 | 113.1 | L189 H193 | L189-E191 VanDerWaalsContact C-N 3.25Å; L189-E191 PolarHBondContact O-N 2.93Å; E191-H193 VanDerWaalsContact C-N 3.32Å |
| 192 | Q | 95.4 | Very high | 94.1 | Very high | 70 Ų | 70 | 75.1 Ų | 75.1 | 33% | 0.327 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -86.7 | -2.6 | -176.6 | -57.8 | 170 | -35.5 | 0 | 0 | 112.7 | L186 H187 R188 L189 P190 | L186-Q192 PolarHBondContact O-NE2 3.3Å; L186-Q192 PolarHBondContact O-OE1 3.12Å; H187-Q192 PolarHBondContact CD2-O 3.47Å; R188-Q192 VanDerWaalsContact N-OE1 3.11Å; L189-Q192 HydrophobicContact CB-CG 3.99Å; L189-Q192 WeakPolarHBondContact O-CB 3.19Å; L189-Q192 PolarHBondContact O-N 3.42Å; P190-Q192 VanDerWaalsContact C-N 3.26Å; P190-Q192 PolarHBondContact O-N 3.03Å |
| 193 | H | 92.8 | Very high | 93.9 | Very high | 8 Ų | 8 | 76.9 Ų | 76.9 | 4% | 0.037 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.6 | 21.2 | -179.2 | 65.7 | -102.2 | 0 | 0 | 0 | 114.9 | R162 C177 F183 H187 L189 P190 E191 C195 | R162-H193 PolarHBondContact NH2-O 3.2Å; C177-H193 VanDerWaalsContact SG-CE1 3.58Å; C177-H193 PolarHBondContact SG-NE2 3.02Å; F183-H193 HydrophobicContact CD1-CB 3.86Å; F183-H193 AromaticContact CD2-CE1 3.88Å; F183-H193 AromaticContact CD2-ND1 3.83Å; F183-H193 HydrophobicContact CE1-CB 3.34Å; F183-H193 AromaticContact CE1-CG 3.62Å; F183-H193 HydrophobicContact CE2-CB 4.32Å; F183-H193 AromaticContact CE2-CD2 3.51Å; F183-H193 AromaticContact CE2-CE1 3.64Å; F183-H193 AromaticContact CE2-CG 3.65Å; F183-H193 AromaticContact CE2-ND1 3.72Å; F183-H193 AromaticContact CE2-NE2 3.49Å; F183-H193 WeakPolarHBondContact CE2-NE2 3.36Å; F183-H193 HydrophobicContact CZ-CB 3.61Å; F183-H193 AromaticContact CZ-CD2 3.31Å; F183-H193 WeakPolarHBondContact CZ-CD2 3.33Å; F183-H193 AromaticContact CZ-CG 3.37Å; F183-H193 AromaticContact CZ-ND1 3.91Å; F183-H193 AromaticContact CZ-NE2 3.83Å; H187-H193 PolarHBondContact O-ND1 3.05Å; L189-H193 PolarHBondContact O-CE1 3.2Å; L189-H193 PolarHBondContact O-ND1 3.12Å; P190-H193 PolarHBondContact O-N 2.86Å; E191-H193 VanDerWaalsContact C-N 3.32Å; H193-C195 WeakPolarHBondContact NE2-CB 3.46Å; H193-C195 PolarHBondContact NE2-SG 2.88Å; H193-C195 PolarHBondContact O-N 2.94Å |
| 194 | D | 90.6 | Very high | 93.8 | Very high | 103 Ų | 103 | 85.8 Ų | 85.8 | 55% | 0.551 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 54.8 | -178.6 | -46.1 | -41.9 | 0 | 0 | 0 | 111.5 | R162 P190 L196 | R162-D194 IonicContact CZ-OD2 3.14Å; R162-D194 IonicContact NH1-OD2 2.9Å; R162-D194 PolarHBondContact NH1-OD2 3.37Å; R162-D194 IonicContact NH2-OD2 2.9Å; R162-D194 PolarHBondContact NH2-OD2 3.17Å; P190-D194 PolarHBondContact O-N 3.28Å; D194-L196 PolarHBondContact O-N 3.31Å |
| 195 | C | 93.8 | Very high | 93.7 | Very high | 24 Ų | 24 | 90.5 Ų | 90.5 | 16% | 0.162 | 45% | 0.449 | C | S | . | . | trans | -63.7 | 105.8 | -169.2 | -161.1 | 0 | 0 | 0 | 0 | 112.3 | C177 P190 H193 F197 | C177-C195 VanDerWaalsContact SG-SG 3.61Å; P190-C195 HydrophobicContact CB-CB 3.66Å; P190-C195 WeakPolarHBondContact O-CB 3.35Å; P190-C195 PolarHBondContact O-N 3.28Å; P190-C195 VanDerWaalsContact O-N 3.08Å; H193-C195 WeakPolarHBondContact NE2-CB 3.46Å; H193-C195 PolarHBondContact NE2-SG 2.88Å; H193-C195 PolarHBondContact O-N 2.94Å; C195-F197 PolarHBondContact O-N 3.04Å | ||
| 196 | L | 90.6 | Very high | 93.6 | Very high | 174 Ų | 174 | 88.4 Ų | 88.4 | 91% | 0.911 | 44% | 0.437 | S | S | * | . | trans | -69.2 | 14.2 | 176.4 | -55 | -179.3 | 0 | 0 | 0 | 113.9 | D194 | D194-L196 PolarHBondContact O-N 3.31Š| ||
| 197 | F | 92.8 | Very high | 93.4 | Very high | 48 Ų | 48 | 84.6 Ų | 84.6 | 21% | 0.211 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -103.9 | 128.3 | 179.1 | -179.1 | -95.4 | 0 | 0 | 0 | 111.5 | R178 C179 C195 H199 R202 | R178-F197 HydrophobicContact CB-CD1 4.04Å; R178-F197 HydrophobicContact CB-CG 4.49Å; C179-F197 HydrophobicContact CB-CB 3.84Å; C195-F197 PolarHBondContact O-N 3.04Å; F197-H199 AromaticContact CD1-CD2 3.99Å; F197-H199 PolarHBondContact O-CD2 2.8Å; F197-H199 PolarHBondContact O-N 3.22Å; F197-R202 HydrophobicContact CE1-CB 4.04Å; F197-R202 HydrophobicContact CE1-CG 4.41Å; F197-R202 VanDerWaalsContact CE2-CZ 3.49Å; F197-R202 HydrophobicContact CZ-CB 3.81Å; F197-R202 HydrophobicContact CZ-CG 3.79Å |
| 198 | D | 93.2 | Very high | 93.2 | Very high | 94 Ų | 94 | 86.2 Ų | 86.2 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | trans | -73.8 | 86.5 | -179.8 | -177.6 | 11.3 | 0 | 0 | 0 | 113.3 | L200 G201 R202 | D198-L200 PolarHBondContact O-N 3.28Å; D198-L200 PolarHBondContact OD1-N 2.67Å; D198-G201 PolarHBondContact OD1-N 2.68Å; D198-G201 WeakPolarHBondContact OD2-CA 3.3Å; D198-G201 PolarHBondContact OD2-N 3.31Å; D198-G201 VanDerWaalsContact OD2-N 3.16Å; D198-R202 PolarHBondContact O-N 2.88Å | ||
| 199 | H | 90.1 | Very high | 93 | Very high | 71 Ų | 71 | 86.4 Ų | 86.4 | 33% | 0.329 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.9 | -28.7 | 174.1 | -74 | -89.8 | 0 | 0 | 0 | 113.6 | F197 G203 | F197-H199 AromaticContact CD1-CD2 3.99Å; F197-H199 PolarHBondContact O-CD2 2.8Å; F197-H199 PolarHBondContact O-N 3.22Å; H199-G203 PolarHBondContact O-N 3.28Å |
| 200 | L | 91.4 | Very high | 92.9 | Very high | 143 Ų | 143 | 89.6 Ų | 89.6 | 75% | 0.749 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -81 | -46 | -177.7 | -88.1 | 64.2 | 0 | 0 | 0 | 111.1 | D198 G203 R204 | D198-L200 PolarHBondContact O-N 3.28Å; D198-L200 PolarHBondContact OD1-N 2.67Å; L200-G203 PolarHBondContact O-N 2.91Å; L200-R204 WeakPolarHBondContact O-CB 3.45Å; L200-R204 PolarHBondContact O-N 3.15Å |
| 201 | G | 94.6 | Very high | 92.6 | Very high | 22 Ų | 22 | 93.2 Ų | 93.2 | 23% | 0.227 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -58.8 | -52.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D198 G203 R204 E205 | D198-G201 PolarHBondContact OD1-N 2.68Å; D198-G201 WeakPolarHBondContact OD2-CA 3.3Å; D198-G201 PolarHBondContact OD2-N 3.31Å; D198-G201 VanDerWaalsContact OD2-N 3.16Å; G201-G203 VanDerWaalsContact C-N 3.3Å; G201-G203 PolarHBondContact O-N 2.97Å; G201-R204 PolarHBondContact O-N 2.96Å; G201-E205 WeakPolarHBondContact O-CB 3.33Å; G201-E205 PolarHBondContact O-N 3.28Å |
| 202 | R | 92.2 | Very high | 92.4 | Very high | 90 Ų | 90 | 91.1 Ų | 91.1 | 34% | 0.34 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.6 | -32.7 | 174.8 | -103.3 | -157 | -65.3 | -142.2 | -5 | 112.8 | R178 F197 D198 E206 | R178-R202 PolarHBondContact O-NH2 2.83Å; F197-R202 HydrophobicContact CE1-CB 4.04Å; F197-R202 HydrophobicContact CE1-CG 4.41Å; F197-R202 VanDerWaalsContact CE2-CZ 3.49Å; F197-R202 HydrophobicContact CZ-CB 3.81Å; F197-R202 HydrophobicContact CZ-CG 3.79Å; D198-R202 PolarHBondContact O-N 2.88Å; R202-E206 WeakPolarHBondContact O-CB 3.46Å; R202-E206 PolarHBondContact O-N 3.32Å |
| 203 | G | 93.7 | Very high | 91.8 | Very high | 39 Ų | 39 | 96.6 Ų | 96.6 | 40% | 0.402 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H199 L200 G201 A207 | H199-G203 PolarHBondContact O-N 3.28Å; L200-G203 PolarHBondContact O-N 2.91Å; G201-G203 VanDerWaalsContact C-N 3.3Å; G201-G203 PolarHBondContact O-N 2.97Å; G203-A207 VanDerWaalsContact O-CB 3.28Å; G203-A207 WeakPolarHBondContact O-CB 3.29Å; G203-A207 PolarHBondContact O-N 3.43Å |
| 204 | R | 94.4 | Very high | 90.8 | Very high | 189 Ų | 189 | 102.7 Ų | 102.7 | 71% | 0.713 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.9 | -46.3 | 175 | -178.7 | -176 | -69.5 | 153.2 | -2.5 | 111.9 | L200 G201 A207 V208 | L200-R204 WeakPolarHBondContact O-CB 3.45Å; L200-R204 PolarHBondContact O-N 3.15Å; G201-R204 PolarHBondContact O-N 2.96Å; R204-A207 PolarHBondContact O-N 3.11Å; R204-V208 WeakPolarHBondContact O-CB 3.43Å; R204-V208 VanDerWaalsContact O-CG2 3.3Å; R204-V208 WeakPolarHBondContact O-CG2 3.22Å; R204-V208 PolarHBondContact O-N 3.47Å |
| 205 | E | 94.4 | Very high | 89.9 | Confident | 111 Ų | 111 | 105 Ų | 105 | 52% | 0.519 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61 | -50.6 | 177.4 | -178.2 | -175.1 | -154.2 | 0 | 0 | 111.5 | G201 A207 V208 L209 | G201-E205 WeakPolarHBondContact O-CB 3.33Å; G201-E205 PolarHBondContact O-N 3.28Å; E205-A207 VanDerWaalsContact C-N 3.25Å; E205-A207 PolarHBondContact O-N 2.9Å; E205-V208 PolarHBondContact O-N 3.5Å; E205-L209 HydrophobicContact CG-CD1 4.01Å; E205-L209 WeakPolarHBondContact O-CB 3.24Å; E205-L209 WeakPolarHBondContact O-CG 3.49Å; E205-L209 PolarHBondContact O-N 3.44Å |
| 206 | E | 93.9 | Very high | 88.8 | Confident | 71 Ų | 71 | 112.6 Ų | 112.6 | 33% | 0.332 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.7 | -35.9 | 178.6 | -162.9 | -174 | 139.8 | 0 | 0 | 111 | R178 R202 K210 | R178-E206 IonicContact CZ-OE2 3.17Å; R178-E206 IonicContact NH1-OE2 2.67Å; R178-E206 PolarHBondContact NH1-OE2 2.93Å; R178-E206 IonicContact NH2-OE2 3.03Å; R178-E206 PolarHBondContact NH2-OE2 3.43Å; R202-E206 WeakPolarHBondContact O-CB 3.46Å; R202-E206 PolarHBondContact O-N 3.32Å; E206-K210 HydrophobicContact CG-CD 4.33Å; E206-K210 WeakPolarHBondContact O-CB 3.23Å; E206-K210 WeakPolarHBondContact O-CD 3.4Å; E206-K210 WeakPolarHBondContact O-CG 3.48Å; E206-K210 PolarHBondContact O-N 2.89Å; E206-K210 IonicContact OE1-NZ 3.29Å; E206-K210 PolarHBondContact OE1-NZ 3.23Å |
| 207 | A | 92.6 | Very high | 87.7 | Confident | 50 Ų | 50 | 114.1 Ų | 114.1 | 41% | 0.413 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.9 | -47.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | G203 R204 E205 L209 K210 M211 | G203-A207 VanDerWaalsContact O-CB 3.28Å; G203-A207 WeakPolarHBondContact O-CB 3.29Å; G203-A207 PolarHBondContact O-N 3.43Å; R204-A207 PolarHBondContact O-N 3.11Å; E205-A207 VanDerWaalsContact C-N 3.25Å; E205-A207 PolarHBondContact O-N 2.9Å; A207-L209 PolarHBondContact O-N 3.17Å; A207-K210 CarbonylContact O-C 3.58Å; A207-K210 PolarHBondContact O-N 3Å; A207-K210 VanDerWaalsContact O-N 3.11Å; A207-M211 WeakPolarHBondContact O-CG 2.97Å; A207-M211 PolarHBondContact O-N 2.7Å |
| 208 | V | 92.9 | Very high | 86.3 | Confident | 78 Ų | 78 | 116.4 Ų | 116.4 | 47% | 0.473 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.5 | -40.4 | 179 | 167 | 0 | 0 | 0 | 0 | 111.7 | R204 E205 K210 M211 | R204-V208 WeakPolarHBondContact O-CB 3.43Å; R204-V208 VanDerWaalsContact O-CG2 3.3Å; R204-V208 WeakPolarHBondContact O-CG2 3.22Å; R204-V208 PolarHBondContact O-N 3.47Å; E205-V208 PolarHBondContact O-N 3.5Å; V208-K210 VanDerWaalsContact C-N 3.28Å; V208-K210 PolarHBondContact O-N 2.98Å; V208-M211 HydrophobicContact CG2-CE 4.16Å; V208-M211 WeakPolarHBondContact O-CB 3.48Å; V208-M211 PolarHBondContact O-N 2.85Å |
| 209 | L | 91.5 | Very high | 84.7 | Confident | 137 Ų | 137 | 114.2 Ų | 114.2 | 72% | 0.717 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.6 | -29.2 | 174.6 | -69.6 | 172.6 | 0 | 0 | 0 | 112.7 | E205 A207 | E205-L209 HydrophobicContact CG-CD1 4.01Å; E205-L209 WeakPolarHBondContact O-CB 3.24Å; E205-L209 WeakPolarHBondContact O-CG 3.49Å; E205-L209 PolarHBondContact O-N 3.44Å; A207-L209 PolarHBondContact O-N 3.17Å |
| 210 | K | 93.1 | Very high | 83.3 | Confident | 144 Ų | 144 | 122.8 Ų | 122.8 | 63% | 0.626 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -88.9 | -4.1 | 175.9 | -71.7 | 172.2 | 179.7 | 175.6 | 0 | 113.9 | E206 A207 V208 V212 | E206-K210 HydrophobicContact CG-CD 4.33Å; E206-K210 WeakPolarHBondContact O-CB 3.23Å; E206-K210 WeakPolarHBondContact O-CD 3.4Å; E206-K210 WeakPolarHBondContact O-CG 3.48Å; E206-K210 PolarHBondContact O-N 2.89Å; E206-K210 IonicContact OE1-NZ 3.29Å; E206-K210 PolarHBondContact OE1-NZ 3.23Å; A207-K210 CarbonylContact O-C 3.58Å; A207-K210 PolarHBondContact O-N 3Å; A207-K210 VanDerWaalsContact O-N 3.11Å; V208-K210 VanDerWaalsContact C-N 3.28Å; V208-K210 PolarHBondContact O-N 2.98Å; K210-V212 PolarHBondContact O-N 2.85Å |
| 211 | M | 88.3 | Confident | 82 | Confident | 122 Ų | 122 | 120.9 Ų | 120.9 | 60% | 0.601 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -63.5 | 128.2 | 173.1 | -71.5 | -175.8 | -178.1 | 0 | 0 | 109.4 | A207 V208 K213 | A207-M211 WeakPolarHBondContact O-CG 2.97Å; A207-M211 PolarHBondContact O-N 2.7Å; V208-M211 HydrophobicContact CG2-CE 4.16Å; V208-M211 WeakPolarHBondContact O-CB 3.48Å; V208-M211 PolarHBondContact O-N 2.85Å; M211-K213 VanDerWaalsContact C-N 3.34Å; M211-K213 PolarHBondContact O-N 2.71Å |
| 212 | V | 88.6 | Confident | 80.2 | Confident | 126 Ų | 126 | 125.4 Ų | 125.4 | 76% | 0.764 | 64% | 0.635 | S | S | * | * | trans | -65.4 | 96.8 | 173.4 | 180 | 0 | 0 | 0 | 0 | 108.1 | K210 L214 | K210-V212 PolarHBondContact O-N 2.85Å; V212-L214 HydrophobicContact CG1-CD2 4.42Å; V212-L214 PolarHBondContact O-N 2.77Å | ||
| 213 | K | 82.1 | Confident | 78.6 | Confident | 184 Ų | 184 | 129.1 Ų | 129.1 | 80% | 0.8 | 66% | 0.657 | S | S | * | * | trans | -60.9 | 106.4 | 168.4 | -70.7 | -178.5 | -179.6 | 177.4 | 0 | 107.5 | M211 D215 | M211-K213 VanDerWaalsContact C-N 3.34Å; M211-K213 PolarHBondContact O-N 2.71Å; K213-D215 PolarHBondContact O-N 2.79Å | ||
| 214 | L | 72.9 | Confident | 77 | Confident | 137 Ų | 137 | 138.4 Ų | 138.4 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | trans | -70.1 | 81.6 | 166.5 | -68.7 | -179.3 | 0 | 0 | 0 | 107.9 | V212 R216 | V212-L214 HydrophobicContact CG1-CD2 4.42Å; V212-L214 PolarHBondContact O-N 2.77Å; L214-R216 PolarHBondContact O-N 2.84Å | ||
| 215 | D | 70.6 | Confident | 75.5 | Confident | 150 Ų | 150 | 137.9 Ų | 137.9 | 80% | 0.802 | 69% | 0.689 | S | S | * | * | trans | -71.2 | 74.4 | 169.7 | -154.1 | -51.4 | 0 | 0 | 0 | 108.8 | K213 | K213-D215 PolarHBondContact O-N 2.79Š| ||
| 216 | R | 71.5 | Confident | 73.9 | Confident | 184 Ų | 184 | 135.8 Ų | 135.8 | 69% | 0.694 | 70% | 0.698 | S | S | * | * | trans | -119.2 | 112 | 176.2 | -71.6 | -176.5 | 67.7 | 176.2 | -0.4 | 107.2 | L214 V218 | L214-R216 PolarHBondContact O-N 2.84Å; R216-V218 HydrophobicContact CB-CG2 4.04Å; R216-V218 PolarHBondContact O-N 2.75Å | ||
| 217 | K | 66.9 | Low | 72.5 | Confident | 206 Ų | 206 | 141.6 Ų | 141.6 | 90% | 0.896 | 73% | 0.725 | S | S | * | * | trans | -60.5 | 82.9 | 148.5 | -73.7 | 166.1 | -179.3 | 165.8 | 0 | 107.6 | G219 | K217-G219 PolarHBondContact O-N 3.06Š| ||
| 218 | V | 63 | Low | 71.1 | Confident | 97 Ų | 97 | 148.5 Ų | 148.5 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | trans | -63.3 | 107.5 | 167.3 | 178 | 0 | 0 | 0 | 0 | 105.7 | R216 | R216-V218 HydrophobicContact CB-CG2 4.04Å; R216-V218 PolarHBondContact O-N 2.75Å | ||
| 219 | G | 60.8 | Low | 69.1 | Low | 48 Ų | 48 | 151.2 Ų | 151.2 | 50% | 0.495 | 77% | 0.769 | S | S | . | * | trans | -57.8 | 160.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | K217 S221 | K217-G219 PolarHBondContact O-N 3.06Å; G219-S221 PolarHBondContact O-N 2.94Å | ||
| 220 | R | 59.4 | Low | 67.9 | Low | 251 Ų | 251 | 154.3 Ų | 154.3 | 95% | 0.947 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -70.2 | 28.1 | -172.7 | -56.6 | -178.3 | -177 | 175.4 | 0.3 | 114.7 | ||
| 221 | S | 64.9 | Low | 66.6 | Low | 102 Ų | 102 | 154.8 Ų | 154.8 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | -92.2 | 6.6 | -171.9 | 62.7 | 0 | 0 | 0 | 0 | 114.7 | G219 Q223 | G219-S221 PolarHBondContact O-N 2.94Å; S221-Q223 PolarHBondContact O-N 3.3Å | ||
| 222 | C | 55.5 | Low | 65.5 | Low | 117 Ų | 117 | 156.5 Ų | 156.5 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | -80.6 | 48.7 | 169.7 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 223 | Q | 59.9 | Low | 64.2 | Low | 168 Ų | 168 | 158.2 Ų | 158.2 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -82.4 | 132.4 | 168.5 | -75.4 | 177.7 | -32.9 | 0 | 0 | 109.1 | S221 I225 | S221-Q223 PolarHBondContact O-N 3.3Å; Q223-I225 PolarHBondContact O-N 3.04Å | ||
| 224 | R | 59 | Low | 63.1 | Low | 234 Ų | 234 | 156.7 Ų | 156.7 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -78.5 | 107.6 | -177.8 | -178.7 | -172.4 | -65.8 | 144.6 | -2.3 | 109 | G226 | R224-G226 PolarHBondContact O-N 3.18Š| ||
| 225 | I | 62.8 | Low | 62.5 | Low | 178 Ų | 178 | 157.9 Ų | 157.9 | 91% | 0.913 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -68.2 | 110.7 | 168 | -54 | 172.9 | 0 | 0 | 0 | 107.1 | Q223 | Q223-I225 PolarHBondContact O-N 3.04Š|
| 226 | G | 61.6 | Low | 62 | Low | 68 Ų | 68 | 158.5 Ų | 158.5 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | trans | 164.5 | 27.1 | -177 | 0 | 0 | 0 | 0 | 0 | 116.2 | R224 | R224-G226 PolarHBondContact O-N 3.18Š| ||
| 227 | E | 64.2 | Low | 61.3 | Low | 193 Ų | 193 | 156.6 Ų | 156.6 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | trans | -143.5 | 49 | 179.4 | -156.8 | 171.6 | 162.2 | 0 | 0 | 111.6 | ||||
| 228 | E | 63.2 | Low | 60.9 | Low | 195 Ų | 195 | 152.8 Ų | 152.8 | 91% | 0.911 | 84% | 0.842 | S | S | * | * | trans | -144.5 | 91 | 165.7 | -149.9 | 177.2 | 133.1 | 0 | 0 | 110 | ||||
| 229 | C | 52.2 | Low | 60.7 | Low | 135 Ų | 135 | 157.5 Ų | 157.5 | 91% | 0.912 | 86% | 0.863 | S | S | * | * | trans | -157.1 | 97 | 167.6 | -112.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 230 | S | 64.8 | Low | 60.7 | Low | 201 Ų | 201 | 167.5 Ų | 167.5 | 100% | 1.406 | 90% | 0.897 | S | S | * | * | trans | -146.8 | 0 | 176.5 | -67 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 230 of 230 residues in 306.3 ms
(Link to these results)