| 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 | 54.3 | Low | 61.1 | Low | 243 Ų | 243 | 149.6 Ų | 149.6 | 100% | 1.197 | 78% | 0.778 | S | S | * | * | 0 | 107 | 0 | -168.9 | 155.3 | 158.9 | 0 | 0 | 105 | |||||
| 2 | A | 59.8 | Low | 61.5 | Low | 101 Ų | 101 | 147.2 Ų | 147.2 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 133.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 3 | E | 58.4 | Low | 62.3 | Low | 181 Ų | 181 | 148.7 Ų | 148.7 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 144.3 | 173.8 | -67.1 | -163.4 | 156.9 | 0 | 0 | 109.8 | D5 | E3-D5 PolarHBondContact O-N 3.49Š|
| 4 | P | 60.3 | Low | 63.7 | Low | 88 Ų | 88 | 147.2 Ų | 147.2 | 57% | 0.571 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 124 | 177.9 | -2.7 | 16.2 | 0 | 0 | 0 | 109.6 | Y6 | P4-Y6 VanDerWaalsContact C-N 3.28Å; P4-Y6 HydrophobicContact CB-CD2 4.35Å; P4-Y6 HydrophobicContact CB-CE2 3.9Å; P4-Y6 HydrophobicContact CG-CE2 3.89Å; P4-Y6 VanDerWaalsContact O-CD2 3.26Å; P4-Y6 WeakPolarHBondContact O-CD2 3.41Å; P4-Y6 PolarHBondContact O-N 3.5Å |
| 5 | D | 59.7 | Low | 64.9 | Low | 159 Ų | 159 | 148.2 Ų | 148.2 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -62.8 | 92 | 164.5 | -90.4 | -22.8 | 0 | 0 | 0 | 108.3 | E3 I7 | E3-D5 PolarHBondContact O-N 3.49Å; D5-I7 VanDerWaalsContact C-N 3.28Å; D5-I7 PolarHBondContact O-N 3.33Å | ||
| 6 | Y | 59.9 | Low | 65.9 | Low | 188 Ų | 188 | 150 Ų | 150 | 74% | 0.737 | 77% | 0.768 | S | S | * | * | trans | -72.3 | 96.5 | 158.7 | -63 | -82.9 | 0 | 0 | 0 | 105.6 | P4 E8 | P4-Y6 VanDerWaalsContact C-N 3.28Å; P4-Y6 HydrophobicContact CB-CD2 4.35Å; P4-Y6 HydrophobicContact CB-CE2 3.9Å; P4-Y6 HydrophobicContact CG-CE2 3.89Å; P4-Y6 VanDerWaalsContact O-CD2 3.26Å; P4-Y6 WeakPolarHBondContact O-CD2 3.41Å; P4-Y6 PolarHBondContact O-N 3.5Å; Y6-E8 PolarHBondContact O-N 3.35Å | ||
| 7 | I | 60.8 | Low | 67 | Low | 155 Ų | 155 | 149.1 Ų | 149.1 | 80% | 0.795 | 77% | 0.774 | S | S | * | * | trans | -58.2 | 94.7 | 165.5 | -59.7 | 177.9 | 0 | 0 | 0 | 106 | D5 | D5-I7 VanDerWaalsContact C-N 3.28Å; D5-I7 PolarHBondContact O-N 3.33Å | ||
| 8 | E | 64.2 | Low | 67.7 | Low | 174 Ų | 174 | 150.6 Ų | 150.6 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -70.3 | 126.8 | 165.8 | -73.8 | -174.5 | 165.6 | 0 | 0 | 107.7 | Y6 | Y6-E8 PolarHBondContact O-N 3.35Š| ||
| 9 | D | 64.8 | Low | 68.6 | Low | 140 Ų | 140 | 153 Ų | 153 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 84 | 125.5 | 162.5 | -81.3 | -27.3 | 0 | 0 | 0 | 121.1 | ||
| 10 | D | 63.4 | Low | 69.4 | Low | 117 Ų | 117 | 153.9 Ų | 153.9 | 63% | 0.626 | 79% | 0.786 | S | S | * | * | trans | 74.3 | 60 | 163.6 | -71.3 | -28.3 | 0 | 0 | 0 | 118.9 | P12 R16 | D10-P12 WeakPolarHBondContact O-CD 3.36Å; D10-R16 IonicContact OD1-NH1 3.39Å; D10-R16 PolarHBondContact OD1-NH1 3.11Å | ||
| 11 | N | 67 | Low | 70.2 | Confident | 100 Ų | 100 | 152.9 Ų | 152.9 | 54% | 0.535 | 78% | 0.781 | S | S | . | * | trans | -74.9 | 108.7 | 145.3 | -174.5 | 2.8 | 0 | 0 | 0 | 109.2 | E13 L14 | N11-E13 PolarHBondContact O-N 3.37Å; N11-E13 VanDerWaalsContact O-N 3.15Å; N11-E13 WeakPolarHBondContact OD1-CB 3.44Å; N11-E13 PolarHBondContact OD1-N 3.22Å; N11-E13 VanDerWaalsContact OD1-N 3.16Å; N11-L14 PolarHBondContact O-N 3.49Å | ||
| 12 | P | 65 | Low | 71.8 | Confident | 120 Ų | 120 | 144.8 Ų | 144.8 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -11.7 | -179 | 29.5 | -36.7 | 0 | 0 | 0 | 113.6 | D10 | D10-P12 WeakPolarHBondContact O-CD 3.36Š|
| 13 | E | 72.5 | Confident | 73 | Confident | 167 Ų | 167 | 144.6 Ų | 144.6 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -10.4 | 178.4 | -59.9 | -173.8 | 165.8 | 0 | 0 | 113.4 | N11 I15 | N11-E13 PolarHBondContact O-N 3.37Å; N11-E13 VanDerWaalsContact O-N 3.15Å; N11-E13 WeakPolarHBondContact OD1-CB 3.44Å; N11-E13 PolarHBondContact OD1-N 3.22Å; N11-E13 VanDerWaalsContact OD1-N 3.16Å; E13-I15 PolarHBondContact O-N 3.09Å |
| 14 | L | 81.5 | Confident | 74.3 | Confident | 128 Ų | 128 | 139.1 Ų | 139.1 | 67% | 0.67 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -80.7 | 115 | -177.6 | -165.9 | 65.2 | 0 | 0 | 0 | 111.3 | N11 R16 | N11-L14 PolarHBondContact O-N 3.49Å; L14-R16 PolarHBondContact O-N 3.07Å; L14-R16 VanDerWaalsContact O-N 3.07Å |
| 15 | I | 81.8 | Confident | 75.5 | Confident | 162 Ų | 162 | 142.1 Ų | 142.1 | 83% | 0.831 | 72% | 0.716 | S | S | * | * | trans | -64.8 | 110.7 | 175.9 | -60.7 | 175 | 0 | 0 | 0 | 109.4 | E13 | E13-I15 PolarHBondContact O-N 3.09Š| ||
| 16 | R | 80.7 | Confident | 76.8 | Confident | 177 Ų | 177 | 138.8 Ų | 138.8 | 67% | 0.668 | 70% | 0.702 | S | S | * | * | trans | -84.6 | 136.8 | 175.6 | -68.8 | -173.7 | -86 | -141.7 | -4 | 110.5 | D10 L14 Q18 | D10-R16 IonicContact OD1-NH1 3.39Å; D10-R16 PolarHBondContact OD1-NH1 3.11Å; L14-R16 PolarHBondContact O-N 3.07Å; L14-R16 VanDerWaalsContact O-N 3.07Å; R16-Q18 PolarHBondContact O-N 3.34Å | ||
| 17 | P | 84.8 | Confident | 78.3 | Confident | 135 Ų | 135 | 132.2 Ų | 132.2 | 88% | 0.877 | 68% | 0.683 | S | S | * | * | trans | -58.3 | 112.5 | 171.3 | -23.3 | 33.1 | 0 | 0 | 0 | 110.8 | ||||
| 18 | Q | 80.1 | Confident | 79.8 | Confident | 176 Ų | 176 | 132.4 Ų | 132.4 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 131.5 | 177.7 | -164.4 | 158.8 | 17.4 | 0 | 0 | 110.3 | R16 L20 | R16-Q18 PolarHBondContact O-N 3.34Å; Q18-L20 PolarHBondContact O-N 3.05Å |
| 19 | K | 83.7 | Confident | 81.1 | Confident | 196 Ų | 196 | 130.3 Ų | 130.3 | 85% | 0.852 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 121.6 | 173.8 | -67.4 | -179.4 | -178.1 | 174.3 | 0 | 108.6 | I21 | K19-I21 PolarHBondContact O-N 3.32Š|
| 20 | L | 84.9 | Confident | 82.5 | Confident | 171 Ų | 171 | 127.8 Ų | 127.8 | 90% | 0.895 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 132.1 | 173.5 | -67.4 | 175.2 | 0 | 0 | 0 | 109.7 | Q18 N22 | Q18-L20 PolarHBondContact O-N 3.05Å; L20-N22 PolarHBondContact O-N 2.98Å |
| 21 | I | 86.3 | Confident | 83.9 | Confident | 133 Ų | 133 | 125 Ų | 125 | 68% | 0.682 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 121.4 | -179.8 | -65.5 | 169.3 | 0 | 0 | 0 | 108.1 | K19 P23 T26 | K19-I21 PolarHBondContact O-N 3.32Å; I21-P23 VanDerWaalsContact O-CD 3.31Å; I21-P23 WeakPolarHBondContact O-CD 3.46Å; I21-T26 HydrophobicContact CG2-CG2 3.1Å |
| 22 | N | 88 | Confident | 85.2 | Confident | 73 Ų | 73 | 123.1 Ų | 123.1 | 39% | 0.39 | 63% | 0.625 | S | S | . | * | trans | -77.7 | 115 | 176.3 | -179.8 | -22.9 | 0 | 0 | 0 | 109.4 | L20 V24 K25 T26 | L20-N22 PolarHBondContact O-N 2.98Å; N22-V24 PolarHBondContact O-N 2.89Å; N22-V24 VanDerWaalsContact O-N 3.16Å; N22-V24 WeakPolarHBondContact OD1-CA 3.41Å; N22-V24 WeakPolarHBondContact OD1-CB 3.39Å; N22-V24 PolarHBondContact OD1-N 3.12Å; N22-K25 HydrophobicContact CB-CB 4.04Å; N22-K25 HydrophobicContact CB-CD 4.2Å; N22-K25 HydrophobicContact CB-CG 4.02Å; N22-K25 CarbonylContact O-C 3.58Å; N22-K25 WeakPolarHBondContact O-CA 3.49Å; N22-K25 PolarHBondContact O-N 3.06Å; N22-K25 PolarHBondContact OD1-N 3.08Å; N22-T26 PolarHBondContact O-N 3.35Å | ||
| 23 | P | 85.8 | Confident | 86.4 | Confident | 96 Ų | 96 | 121.7 Ų | 121.7 | 62% | 0.623 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61.7 | -27 | -176.8 | 25.1 | -34.3 | 0 | 0 | 0 | 113.2 | I21 T26 S27 | I21-P23 VanDerWaalsContact O-CD 3.31Å; I21-P23 WeakPolarHBondContact O-CD 3.46Å; P23-T26 WeakPolarHBondContact CA-OG1 3.4Å; P23-T26 PolarHBondContact O-OG1 3.29Å; P23-S27 PolarHBondContact O-N 2.98Å; P23-S27 VanDerWaalsContact O-N 3.15Å |
| 24 | V | 85.1 | Confident | 87.4 | Confident | 67 Ų | 67 | 118.5 Ų | 118.5 | 41% | 0.406 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71.8 | -33.7 | 175.5 | -178 | 0 | 0 | 0 | 0 | 111.2 | N22 H30 | N22-V24 PolarHBondContact O-N 2.89Å; N22-V24 VanDerWaalsContact O-N 3.16Å; N22-V24 WeakPolarHBondContact OD1-CA 3.41Å; N22-V24 WeakPolarHBondContact OD1-CB 3.39Å; N22-V24 PolarHBondContact OD1-N 3.12Å; V24-H30 WeakPolarHBondContact CG1-CE1 3.36Å; V24-H30 VanDerWaalsContact CG1-ND1 3.29Å; V24-H30 WeakPolarHBondContact CG1-ND1 3.39Å |
| 25 | K | 84.5 | Confident | 88 | Confident | 150 Ų | 150 | 117.1 Ų | 117.1 | 65% | 0.652 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -83.3 | -20.9 | 176.6 | -65.3 | -171.3 | 177.3 | -174.4 | 0 | 112.6 | N22 Q31 | N22-K25 HydrophobicContact CB-CB 4.04Å; N22-K25 HydrophobicContact CB-CD 4.2Å; N22-K25 HydrophobicContact CB-CG 4.02Å; N22-K25 CarbonylContact O-C 3.58Å; N22-K25 WeakPolarHBondContact O-CA 3.49Å; N22-K25 PolarHBondContact O-N 3.06Å; N22-K25 PolarHBondContact OD1-N 3.08Å; K25-Q31 PolarHBondContact O-NE2 2.96Å |
| 26 | T | 87.1 | Confident | 88.3 | Confident | 90 Ų | 90 | 114.7 Ų | 114.7 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -82.5 | -32.8 | 173.4 | 51.6 | 0 | 0 | 0 | 0 | 113 | I21 N22 P23 R28 | I21-T26 HydrophobicContact CG2-CG2 3.1Å; N22-T26 PolarHBondContact O-N 3.35Å; P23-T26 WeakPolarHBondContact CA-OG1 3.4Å; P23-T26 PolarHBondContact O-OG1 3.29Å; T26-R28 PolarHBondContact O-N 3.35Å; T26-R28 VanDerWaalsContact O-N 3.11Å |
| 27 | S | 92.6 | Very high | 88.7 | Confident | 50 Ų | 50 | 110.9 Ų | 110.9 | 35% | 0.35 | 56% | 0.559 | S | S | . | * | trans | -72.9 | 104.4 | 178.3 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | P23 N29 H30 Q31 | P23-S27 PolarHBondContact O-N 2.98Å; P23-S27 VanDerWaalsContact O-N 3.15Å; S27-N29 VanDerWaalsContact C-N 3.3Å; S27-N29 PolarHBondContact O-N 2.9Å; S27-H30 PolarHBondContact O-N 3.26Å; S27-H30 PolarHBondContact OG-N 3.37Å; S27-Q31 PolarHBondContact O-N 3.43Å | ||
| 28 | R | 92.2 | Very high | 88.9 | Confident | 159 Ų | 159 | 107.9 Ų | 107.9 | 60% | 0.6 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.3 | -44.2 | 176.4 | 179.9 | 58.2 | -172.1 | -147.7 | -2.4 | 111.8 | T26 H30 Q31 D32 R35 | T26-R28 PolarHBondContact O-N 3.35Å; T26-R28 VanDerWaalsContact O-N 3.11Å; R28-H30 VanDerWaalsContact C-N 3.32Å; R28-H30 PolarHBondContact O-N 3.39Å; R28-Q31 WeakPolarHBondContact O-CB 3.5Å; R28-Q31 PolarHBondContact O-N 3.1Å; R28-Q31 VanDerWaalsContact O-N 3.1Å; R28-D32 WeakPolarHBondContact CD-OD2 3.24Å; R28-D32 WeakPolarHBondContact CG-OD2 3.47Å; R28-D32 IonicContact CZ-OD1 3.73Å; R28-D32 IonicContact CZ-OD2 2.9Å; R28-D32 IonicContact NE-OD1 3.39Å; R28-D32 PolarHBondContact NE-OD1 3.37Å; R28-D32 IonicContact NE-OD2 2.62Å; R28-D32 PolarHBondContact NE-OD2 3.43Å; R28-D32 IonicContact NH2-OD1 3.47Å; R28-D32 PolarHBondContact NH2-OD1 2.93Å; R28-D32 PolarHBondContact O-N 3.35Å; R28-R35 VanDerWaalsContact CZ-NH2 3.32Å |
| 29 | N | 92.2 | Very high | 89.4 | Confident | 130 Ų | 130 | 103.7 Ų | 103.7 | 70% | 0.695 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.6 | -43.3 | 178.3 | -170.8 | 40.1 | 0 | 0 | 0 | 112.2 | S27 Q31 D32 L33 | S27-N29 VanDerWaalsContact C-N 3.3Å; S27-N29 PolarHBondContact O-N 2.9Å; N29-Q31 VanDerWaalsContact C-N 3.35Å; N29-Q31 PolarHBondContact O-N 3.3Å; N29-D32 PolarHBondContact O-N 3.45Å; N29-L33 PolarHBondContact O-N 2.97Å |
| 30 | H | 93.4 | Very high | 89.5 | Confident | 86 Ų | 86 | 96.5 Ų | 96.5 | 40% | 0.398 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.4 | -177.6 | -65.7 | 0 | 0 | 0 | 111.4 | V24 S27 R28 H34 | V24-H30 WeakPolarHBondContact CG1-CE1 3.36Å; V24-H30 VanDerWaalsContact CG1-ND1 3.29Å; V24-H30 WeakPolarHBondContact CG1-ND1 3.39Å; S27-H30 PolarHBondContact O-N 3.26Å; S27-H30 PolarHBondContact OG-N 3.37Å; R28-H30 VanDerWaalsContact C-N 3.32Å; R28-H30 PolarHBondContact O-N 3.39Å; H30-H34 WeakPolarHBondContact O-CB 3.27Å; H30-H34 PolarHBondContact O-N 2.85Å |
| 31 | Q | 93.8 | Very high | 89.5 | Confident | 59 Ų | 59 | 94.6 Ų | 94.6 | 28% | 0.276 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 179.2 | -63.5 | -173.2 | 12.9 | 0 | 0 | 112.7 | K25 S27 R28 N29 H34 R35 | K25-Q31 PolarHBondContact O-NE2 2.96Å; S27-Q31 PolarHBondContact O-N 3.43Å; R28-Q31 WeakPolarHBondContact O-CB 3.5Å; R28-Q31 PolarHBondContact O-N 3.1Å; R28-Q31 VanDerWaalsContact O-N 3.1Å; N29-Q31 VanDerWaalsContact C-N 3.35Å; N29-Q31 PolarHBondContact O-N 3.3Å; Q31-H34 PolarHBondContact O-N 3.42Å; Q31-R35 WeakPolarHBondContact O-CG 3.39Å; Q31-R35 PolarHBondContact O-N 3.33Å |
| 32 | D | 93.4 | Very high | 89.5 | Confident | 60 Ų | 60 | 96.1 Ų | 96.1 | 32% | 0.321 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 177.5 | -77.2 | -41.9 | 0 | 0 | 0 | 110.5 | R28 N29 H34 R35 E36 | R28-D32 WeakPolarHBondContact CD-OD2 3.24Å; R28-D32 WeakPolarHBondContact CG-OD2 3.47Å; R28-D32 IonicContact CZ-OD1 3.73Å; R28-D32 IonicContact CZ-OD2 2.9Å; R28-D32 IonicContact NE-OD1 3.39Å; R28-D32 PolarHBondContact NE-OD1 3.37Å; R28-D32 IonicContact NE-OD2 2.62Å; R28-D32 PolarHBondContact NE-OD2 3.43Å; R28-D32 IonicContact NH2-OD1 3.47Å; R28-D32 PolarHBondContact NH2-OD1 2.93Å; R28-D32 PolarHBondContact O-N 3.35Å; N29-D32 PolarHBondContact O-N 3.45Å; D32-H34 PolarHBondContact O-N 3.49Å; D32-R35 PolarHBondContact O-N 2.87Å; D32-R35 IonicContact OD1-CZ 3.52Å; D32-R35 IonicContact OD1-NE 3.65Å; D32-R35 IonicContact OD1-NH2 3.95Å; D32-R35 PolarHBondContact OD1-NH2 3.06Å; D32-R35 IonicContact OD2-NH2 3.89Å; D32-E36 PolarHBondContact O-N 3.46Å |
| 33 | L | 90.8 | Very high | 89.5 | Confident | 91 Ų | 91 | 101.2 Ų | 101.2 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 174.6 | 179.2 | 63.4 | 0 | 0 | 0 | 112.1 | N29 R35 E36 L37 | N29-L33 PolarHBondContact O-N 2.97Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 2.94Å; L33-E36 PolarHBondContact O-N 3.01Å; L33-L37 HydrophobicContact CD1-CD1 4.25Å; L33-L37 HydrophobicContact CD1-CG 4.17Å; L33-L37 HydrophobicContact CG-CD1 4.04Å; L33-L37 HydrophobicContact CG-CG 4.39Å; L33-L37 WeakPolarHBondContact O-CB 3.36Å; L33-L37 VanDerWaalsContact O-CG 3.29Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 2.9Å |
| 34 | H | 92.1 | Very high | 89.4 | Confident | 100 Ų | 100 | 98.4 Ų | 98.4 | 46% | 0.463 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 178.4 | -179.5 | 65.9 | 0 | 0 | 0 | 112.1 | H30 Q31 D32 L38 | H30-H34 WeakPolarHBondContact O-CB 3.27Å; H30-H34 PolarHBondContact O-N 2.85Å; Q31-H34 PolarHBondContact O-N 3.42Å; D32-H34 PolarHBondContact O-N 3.49Å; H34-L38 WeakPolarHBondContact NE2-CD1 3.4Å; H34-L38 WeakPolarHBondContact O-CG 3.4Å; H34-L38 PolarHBondContact O-N 3.44Å |
| 35 | R | 94.1 | Very high | 89.1 | Confident | 98 Ų | 98 | 100.9 Ų | 100.9 | 37% | 0.37 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 174.6 | -78.9 | -171.8 | -73.2 | -89.5 | 2 | 111.3 | R28 Q31 D32 L33 L38 M39 | R28-R35 VanDerWaalsContact CZ-NH2 3.32Å; Q31-R35 WeakPolarHBondContact O-CG 3.39Å; Q31-R35 PolarHBondContact O-N 3.33Å; D32-R35 PolarHBondContact O-N 2.87Å; D32-R35 IonicContact OD1-CZ 3.52Å; D32-R35 IonicContact OD1-NE 3.65Å; D32-R35 IonicContact OD1-NH2 3.95Å; D32-R35 PolarHBondContact OD1-NH2 3.06Å; D32-R35 IonicContact OD2-NH2 3.89Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 2.94Å; R35-L38 PolarHBondContact O-N 3.08Å; R35-M39 WeakPolarHBondContact O-CB 3.33Å; R35-M39 VanDerWaalsContact O-CG 3.26Å; R35-M39 WeakPolarHBondContact O-CG 3.16Å; R35-M39 PolarHBondContact O-N 3.47Å |
| 36 | E | 89.8 | Confident | 88.6 | Confident | 111 Ų | 111 | 95.3 Ų | 95.3 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 179.3 | -169.2 | -172.3 | 148.9 | 0 | 0 | 111.6 | D32 L33 L38 M39 N40 | D32-E36 PolarHBondContact O-N 3.46Å; L33-E36 PolarHBondContact O-N 3.01Å; E36-L38 PolarHBondContact O-N 3.29Å; E36-M39 PolarHBondContact O-N 2.98Å; E36-M39 VanDerWaalsContact O-N 3.16Å; E36-N40 WeakPolarHBondContact O-CB 3.4Å; E36-N40 VanDerWaalsContact O-CG 3.29Å; E36-N40 PolarHBondContact O-N 3.46Å |
| 37 | L | 87.6 | Confident | 87.7 | Confident | 98 Ų | 98 | 95.9 Ų | 95.9 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 177.3 | -71.4 | 173.4 | 0 | 0 | 0 | 112.1 | L33 M39 N40 Q41 | L33-L37 HydrophobicContact CD1-CD1 4.25Å; L33-L37 HydrophobicContact CD1-CG 4.17Å; L33-L37 HydrophobicContact CG-CD1 4.04Å; L33-L37 HydrophobicContact CG-CG 4.39Å; L33-L37 WeakPolarHBondContact O-CB 3.36Å; L33-L37 VanDerWaalsContact O-CG 3.29Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 2.9Å; L37-M39 VanDerWaalsContact C-N 3.34Å; L37-M39 PolarHBondContact O-N 2.94Å; L37-N40 PolarHBondContact O-N 2.98Å; L37-Q41 WeakPolarHBondContact O-CB 3.25Å; L37-Q41 PolarHBondContact O-N 3.17Å |
| 38 | L | 89.1 | Confident | 86.5 | Confident | 72 Ų | 72 | 100.8 Ų | 100.8 | 38% | 0.377 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 175.6 | -75.1 | 178.3 | 0 | 0 | 0 | 112.1 | H34 R35 E36 Q41 K42 | H34-L38 WeakPolarHBondContact NE2-CD1 3.4Å; H34-L38 WeakPolarHBondContact O-CG 3.4Å; H34-L38 PolarHBondContact O-N 3.44Å; R35-L38 PolarHBondContact O-N 3.08Å; E36-L38 PolarHBondContact O-N 3.29Å; L38-Q41 PolarHBondContact O-N 3.47Å; L38-K42 WeakPolarHBondContact O-CB 3.33Å; L38-K42 WeakPolarHBondContact O-CG 3.49Å; L38-K42 PolarHBondContact O-N 3.37Å |
| 39 | M | 90.6 | Very high | 85.1 | Confident | 88 Ų | 88 | 98.2 Ų | 98.2 | 43% | 0.433 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 176.8 | -73.1 | -65.8 | 159.4 | 0 | 0 | 111.6 | R35 E36 L37 Q41 K42 R43 | R35-M39 WeakPolarHBondContact O-CB 3.33Å; R35-M39 VanDerWaalsContact O-CG 3.26Å; R35-M39 WeakPolarHBondContact O-CG 3.16Å; R35-M39 PolarHBondContact O-N 3.47Å; E36-M39 PolarHBondContact O-N 2.98Å; E36-M39 VanDerWaalsContact O-N 3.16Å; L37-M39 VanDerWaalsContact C-N 3.34Å; L37-M39 PolarHBondContact O-N 2.94Å; M39-Q41 VanDerWaalsContact C-N 3.32Å; M39-Q41 PolarHBondContact O-N 3.15Å; M39-K42 PolarHBondContact O-N 3.18Å; M39-R43 WeakPolarHBondContact O-CB 3.42Å; M39-R43 VanDerWaalsContact O-CG 3.24Å; M39-R43 WeakPolarHBondContact O-CG 3.35Å; M39-R43 PolarHBondContact O-N 3.33Å |
| 40 | N | 86.9 | Confident | 84 | Confident | 45 Ų | 45 | 99.7 Ų | 99.7 | 24% | 0.241 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -63.3 | -39 | 176.7 | -71.1 | -14.5 | 0 | 0 | 0 | 111.6 | E36 L37 R43 G44 L45 A46 | E36-N40 WeakPolarHBondContact O-CB 3.4Å; E36-N40 VanDerWaalsContact O-CG 3.29Å; E36-N40 PolarHBondContact O-N 3.46Å; L37-N40 PolarHBondContact O-N 2.98Å; N40-R43 PolarHBondContact O-N 2.88Å; N40-G44 PolarHBondContact O-N 2.79Å; N40-G44 VanDerWaalsContact O-N 3.13Å; N40-L45 HydrophobicContact CB-CB 4.33Å; N40-L45 PolarHBondContact O-N 2.93Å; N40-A46 PolarHBondContact O-N 3.03Å |
| 41 | Q | 83.9 | Confident | 83.2 | Confident | 130 Ų | 130 | 98.8 Ų | 98.8 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.9 | -47.8 | 173.3 | -174.7 | 177.8 | -4.7 | 0 | 0 | 111.9 | L37 L38 M39 R43 G44 A46 | L37-Q41 WeakPolarHBondContact O-CB 3.25Å; L37-Q41 PolarHBondContact O-N 3.17Å; L38-Q41 PolarHBondContact O-N 3.47Å; M39-Q41 VanDerWaalsContact C-N 3.32Å; M39-Q41 PolarHBondContact O-N 3.15Å; Q41-R43 VanDerWaalsContact C-N 3.26Å; Q41-R43 PolarHBondContact O-N 2.97Å; Q41-G44 PolarHBondContact O-N 3.35Å; Q41-A46 HydrophobicContact CB-CB 4.47Å |
| 42 | K | 86.2 | Confident | 82.5 | Confident | 165 Ų | 165 | 101.5 Ų | 101.5 | 72% | 0.717 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.8 | -35 | 177 | -77.1 | -179.7 | 178.6 | -173.9 | 0 | 112.8 | L38 M39 G44 | L38-K42 WeakPolarHBondContact O-CB 3.33Å; L38-K42 WeakPolarHBondContact O-CG 3.49Å; L38-K42 PolarHBondContact O-N 3.37Å; M39-K42 PolarHBondContact O-N 3.18Å; K42-G44 VanDerWaalsContact C-N 3.27Å |
| 43 | R | 89.3 | Confident | 81.9 | Confident | 180 Ų | 180 | 103.7 Ų | 103.7 | 68% | 0.679 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -1.4 | 177.5 | -68 | 174.9 | -178.8 | -171.8 | -0.5 | 113.3 | M39 N40 Q41 L45 | M39-R43 WeakPolarHBondContact O-CB 3.42Å; M39-R43 VanDerWaalsContact O-CG 3.24Å; M39-R43 WeakPolarHBondContact O-CG 3.35Å; M39-R43 PolarHBondContact O-N 3.33Å; N40-R43 PolarHBondContact O-N 2.88Å; Q41-R43 VanDerWaalsContact C-N 3.26Å; Q41-R43 PolarHBondContact O-N 2.97Å; R43-L45 HydrophobicContact CB-CD1 4.12Å; R43-L45 HydrophobicContact CB-CG 3.98Å; R43-L45 PolarHBondContact O-N 2.95Å |
| 44 | G | 82.7 | Confident | 81.4 | Confident | 37 Ų | 37 | 103.6 Ų | 103.6 | 38% | 0.381 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 15.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N40 Q41 K42 | N40-G44 PolarHBondContact O-N 2.79Å; N40-G44 VanDerWaalsContact O-N 3.13Å; Q41-G44 PolarHBondContact O-N 3.35Å; K42-G44 VanDerWaalsContact C-N 3.27Å |
| 45 | L | 78.7 | Confident | 81.2 | Confident | 120 Ų | 120 | 104.4 Ų | 104.4 | 63% | 0.628 | 52% | 0.516 | S | S | * | . | trans | -78.3 | -24.7 | 176.3 | -62.5 | 176 | 0 | 0 | 0 | 111.7 | N40 R43 | N40-L45 HydrophobicContact CB-CB 4.33Å; N40-L45 PolarHBondContact O-N 2.93Å; R43-L45 HydrophobicContact CB-CD1 4.12Å; R43-L45 HydrophobicContact CB-CG 3.98Å; R43-L45 PolarHBondContact O-N 2.95Å | ||
| 46 | A | 73.9 | Confident | 81.1 | Confident | 33 Ų | 33 | 102.7 Ų | 102.7 | 27% | 0.273 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -73.3 | 141.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | N40 Q41 Q48 | N40-A46 PolarHBondContact O-N 3.03Å; Q41-A46 HydrophobicContact CB-CB 4.47Å; A46-Q48 PolarHBondContact O-N 3.35Å |
| 47 | P | 68.6 | Low | 81.2 | Confident | 102 Ų | 102 | 102.3 Ų | 102.3 | 66% | 0.662 | 52% | 0.516 | S | S | * | . | trans | -52.1 | 117.9 | 170.8 | -23.8 | 32.7 | 0 | 0 | 0 | 109.6 | N49 | P47-N49 WeakPolarHBondContact CB-O 3.44Å; P47-N49 PolarHBondContact O-N 3.03Å; P47-N49 VanDerWaalsContact O-N 3.11Å | ||
| 48 | Q | 66.8 | Low | 81.4 | Confident | 152 Ų | 152 | 101.5 Ų | 101.5 | 71% | 0.71 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -55.8 | -30.1 | 178.9 | -59.5 | -66.3 | -20.8 | 0 | 0 | 110.9 | A46 | A46-Q48 PolarHBondContact O-N 3.35Š|
| 49 | N | 63.3 | Low | 81.7 | Confident | 105 Ų | 105 | 104.5 Ų | 104.5 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -107.8 | 126.9 | 173.9 | -60.9 | -14.1 | 0 | 0 | 0 | 108.9 | P47 P51 | P47-N49 WeakPolarHBondContact CB-O 3.44Å; P47-N49 PolarHBondContact O-N 3.03Å; P47-N49 VanDerWaalsContact O-N 3.11Å; N49-P51 WeakPolarHBondContact O-CD 3.36Å; N49-P51 VanDerWaalsContact O-N 3.14Å |
| 50 | K | 69.8 | Low | 81.9 | Confident | 162 Ų | 162 | 108 Ų | 108 | 70% | 0.704 | 53% | 0.527 | S | S | * | . | trans | -70 | 102.1 | 166.2 | -71.5 | 177.4 | -179.2 | 174.8 | 0 | 107.6 | E52 L53 Q54 | K50-E52 PolarHBondContact O-N 3.46Å; K50-E52 VanDerWaalsContact O-N 3.13Å; K50-L53 HydrophobicContact CB-CB 4.15Å; K50-L53 PolarHBondContact O-N 2.86Å; K50-L53 VanDerWaalsContact O-N 3.11Å; K50-Q54 PolarHBondContact O-N 2.91Å | ||
| 51 | P | 75.6 | Confident | 82.4 | Confident | 67 Ų | 67 | 113 Ų | 113 | 44% | 0.435 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.3 | -31.8 | -170 | 26.1 | -34.6 | 0 | 0 | 0 | 111.5 | N49 Q54 K55 | N49-P51 WeakPolarHBondContact O-CD 3.36Å; N49-P51 VanDerWaalsContact O-N 3.14Å; P51-Q54 PolarHBondContact O-N 3.4Å; P51-K55 WeakPolarHBondContact O-CB 3.36Å; P51-K55 WeakPolarHBondContact O-CG 3.45Å; P51-K55 PolarHBondContact O-N 3.5Å |
| 52 | E | 80.1 | Confident | 83 | Confident | 115 Ų | 115 | 114.6 Ų | 114.6 | 54% | 0.537 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.4 | -42.1 | 178.3 | -62.1 | -51.1 | 128.1 | 0 | 0 | 113.2 | K50 Q54 K55 V56 | K50-E52 PolarHBondContact O-N 3.46Å; K50-E52 VanDerWaalsContact O-N 3.13Å; E52-Q54 VanDerWaalsContact C-N 3.34Å; E52-Q54 PolarHBondContact O-N 3.13Å; E52-K55 PolarHBondContact O-N 3.43Å; E52-K55 IonicContact OE1-NZ 2.88Å; E52-K55 PolarHBondContact OE1-NZ 3.46Å; E52-V56 WeakPolarHBondContact O-CB 3.26Å; E52-V56 VanDerWaalsContact O-CG2 3.25Å; E52-V56 WeakPolarHBondContact O-CG2 3.48Å; E52-V56 PolarHBondContact O-N 2.87Å |
| 53 | L | 80.3 | Confident | 83.4 | Confident | 107 Ų | 107 | 110.5 Ų | 110.5 | 56% | 0.56 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.5 | -43.2 | 175.8 | 179.3 | 61.1 | 0 | 0 | 0 | 110.6 | K50 V56 M57 | K50-L53 HydrophobicContact CB-CB 4.15Å; K50-L53 PolarHBondContact O-N 2.86Å; K50-L53 VanDerWaalsContact O-N 3.11Å; L53-V56 PolarHBondContact O-N 3.01Å; L53-M57 HydrophobicContact CD1-CG 4.28Å; L53-M57 WeakPolarHBondContact O-CB 3.49Å; L53-M57 VanDerWaalsContact O-CG 3.26Å; L53-M57 WeakPolarHBondContact O-CG 3.07Å; L53-M57 PolarHBondContact O-N 3.15Å |
| 54 | Q | 79.6 | Confident | 83.7 | Confident | 88 Ų | 88 | 107.6 Ų | 107.6 | 41% | 0.411 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.5 | -48 | 177.7 | -175.4 | 175.8 | -17.7 | 0 | 0 | 111.5 | K50 P51 E52 V56 M57 E58 | K50-Q54 PolarHBondContact O-N 2.91Å; P51-Q54 PolarHBondContact O-N 3.4Å; E52-Q54 VanDerWaalsContact C-N 3.34Å; E52-Q54 PolarHBondContact O-N 3.13Å; Q54-V56 VanDerWaalsContact C-N 3.32Å; Q54-V56 PolarHBondContact O-N 3.19Å; Q54-M57 PolarHBondContact O-N 3.41Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.19Å; Q54-E58 PolarHBondContact NE2-OE1 3.37Å; Q54-E58 WeakPolarHBondContact O-CG 3.32Å; Q54-E58 PolarHBondContact O-N 2.91Å |
| 55 | K | 87.4 | Confident | 84.3 | Confident | 117 Ų | 117 | 108.8 Ų | 108.8 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -55.6 | -45.6 | 174.8 | -76.1 | 171.7 | -171.9 | 171.2 | 0 | 111.8 | P51 E52 E58 K59 | P51-K55 WeakPolarHBondContact O-CB 3.36Å; P51-K55 WeakPolarHBondContact O-CG 3.45Å; P51-K55 PolarHBondContact O-N 3.5Å; E52-K55 PolarHBondContact O-N 3.43Å; E52-K55 IonicContact OE1-NZ 2.88Å; E52-K55 PolarHBondContact OE1-NZ 3.46Å; K55-E58 PolarHBondContact O-N 3.1Å; K55-K59 WeakPolarHBondContact O-CB 3.33Å; K55-K59 PolarHBondContact O-N 3.19Å |
| 56 | V | 92.4 | Very high | 85.1 | Confident | 62 Ų | 62 | 107.1 Ų | 107.1 | 38% | 0.376 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 178.4 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | E52 L53 Q54 K59 R60 | E52-V56 WeakPolarHBondContact O-CB 3.26Å; E52-V56 VanDerWaalsContact O-CG2 3.25Å; E52-V56 WeakPolarHBondContact O-CG2 3.48Å; E52-V56 PolarHBondContact O-N 2.87Å; L53-V56 PolarHBondContact O-N 3.01Å; Q54-V56 VanDerWaalsContact C-N 3.32Å; Q54-V56 PolarHBondContact O-N 3.19Å; V56-K59 PolarHBondContact O-N 3.11Å; V56-R60 WeakPolarHBondContact O-CG 3.4Å; V56-R60 PolarHBondContact O-N 3.32Å |
| 57 | M | 91.8 | Very high | 86.1 | Confident | 104 Ų | 104 | 111.5 Ų | 111.5 | 51% | 0.512 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 177.4 | -71.4 | -62 | -68.9 | 0 | 0 | 112.3 | L53 Q54 R60 K61 | L53-M57 HydrophobicContact CD1-CG 4.28Å; L53-M57 WeakPolarHBondContact O-CB 3.49Å; L53-M57 VanDerWaalsContact O-CG 3.26Å; L53-M57 WeakPolarHBondContact O-CG 3.07Å; L53-M57 PolarHBondContact O-N 3.15Å; Q54-M57 PolarHBondContact O-N 3.41Å; M57-R60 PolarHBondContact O-N 2.95Å; M57-K61 PolarHBondContact O-N 3.39Å |
| 58 | E | 92.7 | Very high | 87.2 | Confident | 81 Ų | 81 | 111.6 Ų | 111.6 | 38% | 0.379 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 175.1 | -73.8 | 178.7 | -163.3 | 0 | 0 | 111.6 | Q54 K55 K61 R62 | Q54-E58 WeakPolarHBondContact CG-OE1 3.19Å; Q54-E58 PolarHBondContact NE2-OE1 3.37Å; Q54-E58 WeakPolarHBondContact O-CG 3.32Å; Q54-E58 PolarHBondContact O-N 2.91Å; K55-E58 PolarHBondContact O-N 3.1Å; E58-K61 PolarHBondContact O-N 3.03Å; E58-R62 WeakPolarHBondContact O-CG 3.29Å; E58-R62 PolarHBondContact O-N 2.9Å; E58-R62 IonicContact OE2-NH2 2.79Å |
| 59 | K | 94.8 | Very high | 88.4 | Confident | 135 Ų | 135 | 111.2 Ų | 111.2 | 59% | 0.587 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.5 | -51.6 | 175 | -175.6 | -176.2 | 175.9 | -172.8 | 0 | 111.3 | K55 V56 K61 R62 D63 | K55-K59 WeakPolarHBondContact O-CB 3.33Å; K55-K59 PolarHBondContact O-N 3.19Å; V56-K59 PolarHBondContact O-N 3.11Å; K59-K61 VanDerWaalsContact C-N 3.28Å; K59-K61 PolarHBondContact O-N 3.26Å; K59-R62 WeakPolarHBondContact O-CB 3.48Å; K59-R62 PolarHBondContact O-N 3.46Å; K59-R62 VanDerWaalsContact O-N 3.08Å; K59-D63 VanDerWaalsContact O-CG 3.26Å; K59-D63 PolarHBondContact O-N 2.92Å |
| 60 | R | 95.6 | Very high | 89.7 | Confident | 160 Ų | 160 | 111.7 Ų | 111.7 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.5 | -42 | 178.3 | -76.7 | 177.3 | 179.7 | 175.1 | 0.2 | 112.5 | V56 M57 D63 Q64 | V56-R60 WeakPolarHBondContact O-CG 3.4Å; V56-R60 PolarHBondContact O-N 3.32Å; M57-R60 PolarHBondContact O-N 2.95Å; R60-D63 PolarHBondContact O-N 3.23Å; R60-Q64 WeakPolarHBondContact O-CB 3.47Å; R60-Q64 PolarHBondContact O-N 2.9Å |
| 61 | K | 96.3 | Very high | 90.6 | Very high | 151 Ų | 151 | 108.5 Ų | 108.5 | 66% | 0.657 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 177.4 | -171.3 | 176.8 | -179.4 | 178.9 | 0 | 111.6 | M57 E58 K59 V65 | M57-K61 PolarHBondContact O-N 3.39Å; E58-K61 PolarHBondContact O-N 3.03Å; K59-K61 VanDerWaalsContact C-N 3.28Å; K59-K61 PolarHBondContact O-N 3.26Å; K61-V65 WeakPolarHBondContact O-CG2 3.31Å; K61-V65 PolarHBondContact O-N 3.44Å |
| 62 | R | 96.4 | Very high | 91.1 | Very high | 163 Ų | 163 | 110.4 Ų | 110.4 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -48.4 | 175.7 | -70.6 | 177.9 | -171.6 | 159.5 | 8 | 111.4 | E58 K59 Q64 V65 I66 | E58-R62 WeakPolarHBondContact O-CG 3.29Å; E58-R62 PolarHBondContact O-N 2.9Å; E58-R62 IonicContact OE2-NH2 2.79Å; K59-R62 WeakPolarHBondContact O-CB 3.48Å; K59-R62 PolarHBondContact O-N 3.46Å; K59-R62 VanDerWaalsContact O-N 3.08Å; R62-Q64 VanDerWaalsContact C-N 3.27Å; R62-Q64 PolarHBondContact O-N 3.36Å; R62-V65 PolarHBondContact O-N 2.83Å; R62-V65 VanDerWaalsContact O-N 3.15Å; R62-I66 WeakPolarHBondContact O-CG1 3.46Å; R62-I66 PolarHBondContact O-N 3.16Å |
| 63 | D | 96.3 | Very high | 91.3 | Very high | 80 Ų | 80 | 107.4 Ų | 107.4 | 43% | 0.428 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -40.1 | -179.5 | -64.3 | -12.8 | 0 | 0 | 0 | 111 | K59 R60 I66 K67 | K59-D63 VanDerWaalsContact O-CG 3.26Å; K59-D63 PolarHBondContact O-N 2.92Å; R60-D63 PolarHBondContact O-N 3.23Å; D63-I66 PolarHBondContact O-N 3.41Å; D63-K67 WeakPolarHBondContact O-CB 3.29Å; D63-K67 PolarHBondContact O-N 3.21Å |
| 64 | Q | 95.3 | Very high | 91.2 | Very high | 118 Ų | 118 | 108.9 Ų | 108.9 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 176.3 | -172.2 | 176 | 21.7 | 0 | 0 | 112.6 | R60 R62 K67 Q68 | R60-Q64 WeakPolarHBondContact O-CB 3.47Å; R60-Q64 PolarHBondContact O-N 2.9Å; R62-Q64 VanDerWaalsContact C-N 3.27Å; R62-Q64 PolarHBondContact O-N 3.36Å; Q64-K67 PolarHBondContact O-N 3.37Å; Q64-Q68 WeakPolarHBondContact O-CG 3.45Å; Q64-Q68 PolarHBondContact O-N 3.26Å |
| 65 | V | 95.5 | Very high | 91.2 | Very high | 63 Ų | 63 | 113 Ų | 113 | 38% | 0.382 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 178 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | K61 R62 Q68 K69 | K61-V65 WeakPolarHBondContact O-CG2 3.31Å; K61-V65 PolarHBondContact O-N 3.44Å; R62-V65 PolarHBondContact O-N 2.83Å; R62-V65 VanDerWaalsContact O-N 3.15Å; V65-Q68 PolarHBondContact O-N 3Å; V65-K69 HydrophobicContact CG1-CD 4.4Å; V65-K69 WeakPolarHBondContact O-CG 3.34Å; V65-K69 PolarHBondContact O-N 3.16Å |
| 66 | I | 94.4 | Very high | 90.8 | Very high | 84 Ų | 84 | 114.5 Ų | 114.5 | 43% | 0.431 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -49.2 | 176.6 | -67.9 | 165.6 | 0 | 0 | 0 | 109.7 | R62 D63 Q68 K69 E70 | R62-I66 WeakPolarHBondContact O-CG1 3.46Å; R62-I66 PolarHBondContact O-N 3.16Å; D63-I66 PolarHBondContact O-N 3.41Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.22Å; I66-K69 WeakPolarHBondContact O-CB 3.19Å; I66-K69 PolarHBondContact O-N 3.03Å; I66-K69 VanDerWaalsContact O-N 3.1Å; I66-E70 HydrophobicContact CG2-CG 4.39Å; I66-E70 WeakPolarHBondContact O-CG 3.48Å; I66-E70 PolarHBondContact O-N 3.11Å |
| 67 | K | 94.9 | Very high | 90.2 | Very high | 126 Ų | 126 | 116 Ų | 116 | 55% | 0.548 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 178.4 | -172.6 | 179.6 | 177.8 | -174.2 | 0 | 112.3 | D63 Q64 K69 E70 E71 | D63-K67 WeakPolarHBondContact O-CB 3.29Å; D63-K67 PolarHBondContact O-N 3.21Å; Q64-K67 PolarHBondContact O-N 3.37Å; K67-K69 PolarHBondContact O-N 3.48Å; K67-E70 PolarHBondContact O-N 3.11Å; K67-E71 WeakPolarHBondContact CE-OE1 3.22Å; K67-E71 WeakPolarHBondContact O-CG 3.45Å; K67-E71 PolarHBondContact O-N 3.47Å |
| 68 | Q | 92.4 | Very high | 89.8 | Confident | 104 Ų | 104 | 114.1 Ų | 114.1 | 49% | 0.486 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 176.2 | -75.1 | 175.9 | -6.3 | 0 | 0 | 112.3 | Q64 V65 I66 E71 E72 | Q64-Q68 WeakPolarHBondContact O-CG 3.45Å; Q64-Q68 PolarHBondContact O-N 3.26Å; V65-Q68 PolarHBondContact O-N 3Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.22Å; Q68-E71 PolarHBondContact O-N 3.39Å; Q68-E72 PolarHBondContact O-N 2.89Å |
| 69 | K | 91.3 | Very high | 89.3 | Confident | 144 Ų | 144 | 116.8 Ų | 116.8 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.4 | -40.1 | 176.8 | -74.9 | -178.9 | 176.2 | -174.1 | 0 | 112.4 | V65 I66 K67 E72 A73 | V65-K69 HydrophobicContact CG1-CD 4.4Å; V65-K69 WeakPolarHBondContact O-CG 3.34Å; V65-K69 PolarHBondContact O-N 3.16Å; I66-K69 WeakPolarHBondContact O-CB 3.19Å; I66-K69 PolarHBondContact O-N 3.03Å; I66-K69 VanDerWaalsContact O-N 3.1Å; K67-K69 PolarHBondContact O-N 3.48Å; K69-E72 PolarHBondContact O-N 2.92Å; K69-A73 VanDerWaalsContact O-CB 3.24Å; K69-A73 WeakPolarHBondContact O-CB 3.43Å; K69-A73 PolarHBondContact O-N 3Å |
| 70 | E | 90.4 | Very high | 88.8 | Confident | 115 Ų | 115 | 115.8 Ų | 115.8 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 176.2 | -73.6 | 177.5 | 175.5 | 0 | 0 | 111.6 | I66 K67 A73 Q74 | I66-E70 HydrophobicContact CG2-CG 4.39Å; I66-E70 WeakPolarHBondContact O-CG 3.48Å; I66-E70 PolarHBondContact O-N 3.11Å; K67-E70 PolarHBondContact O-N 3.11Å; E70-A73 PolarHBondContact O-N 2.67Å; E70-Q74 WeakPolarHBondContact O-CG 3.46Å; E70-Q74 PolarHBondContact O-N 2.62Å |
| 71 | E | 88.5 | Confident | 88.3 | Confident | 95 Ų | 95 | 112.9 Ų | 112.9 | 44% | 0.444 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.2 | -73.6 | 175.5 | -169.3 | 0 | 0 | 112 | K67 Q68 Q74 K75 | K67-E71 WeakPolarHBondContact CE-OE1 3.22Å; K67-E71 WeakPolarHBondContact O-CG 3.45Å; K67-E71 PolarHBondContact O-N 3.47Å; Q68-E71 PolarHBondContact O-N 3.39Å; E71-Q74 PolarHBondContact O-N 2.95Å; E71-K75 WeakPolarHBondContact O-CG 3.36Å; E71-K75 PolarHBondContact O-N 3.29Å |
| 72 | E | 87.1 | Confident | 87.8 | Confident | 107 Ų | 107 | 108.6 Ų | 108.6 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 173.1 | -82.7 | -165.6 | -168.3 | 0 | 0 | 112.4 | Q68 K69 Q74 K75 K76 | Q68-E72 PolarHBondContact O-N 2.89Å; K69-E72 PolarHBondContact O-N 2.92Å; E72-Q74 VanDerWaalsContact C-N 3.29Å; E72-Q74 PolarHBondContact O-N 2.92Å; E72-K75 PolarHBondContact O-N 3.45Å; E72-K76 WeakPolarHBondContact O-CB 3.41Å; E72-K76 VanDerWaalsContact O-CG 3.27Å; E72-K76 WeakPolarHBondContact O-CG 3.26Å; E72-K76 PolarHBondContact O-N 3.37Å; E72-K76 IonicContact OE2-NZ 3.97Å; E72-K76 PolarHBondContact OE2-NZ 3.06Å |
| 73 | A | 83.6 | Confident | 87.4 | Confident | 51 Ų | 51 | 106.9 Ų | 106.9 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | K69 E70 K76 K77 | K69-A73 VanDerWaalsContact O-CB 3.24Å; K69-A73 WeakPolarHBondContact O-CB 3.43Å; K69-A73 PolarHBondContact O-N 3Å; E70-A73 PolarHBondContact O-N 2.67Å; A73-K76 PolarHBondContact O-N 3.43Å; A73-K77 WeakPolarHBondContact O-CG 3.32Å; A73-K77 PolarHBondContact O-N 3.5Å |
| 74 | Q | 79.3 | Confident | 87.1 | Confident | 138 Ų | 138 | 108.3 Ų | 108.3 | 65% | 0.645 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.2 | -41.4 | 174.3 | -74.3 | -161.1 | 31.3 | 0 | 0 | 112.5 | E70 E71 E72 K76 K77 | E70-Q74 WeakPolarHBondContact O-CG 3.46Å; E70-Q74 PolarHBondContact O-N 2.62Å; E71-Q74 PolarHBondContact O-N 2.95Å; E72-Q74 VanDerWaalsContact C-N 3.29Å; E72-Q74 PolarHBondContact O-N 2.92Å; Q74-K76 VanDerWaalsContact C-N 3.29Å; Q74-K76 PolarHBondContact O-N 3.41Å; Q74-K77 PolarHBondContact O-N 2.88Å |
| 75 | K | 79.3 | Confident | 86.7 | Confident | 175 Ų | 175 | 106.1 Ų | 106.1 | 76% | 0.761 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.3 | -29.5 | 176 | -73.3 | 176.4 | -178.3 | 177.5 | 0 | 113.5 | E71 E72 | E71-K75 WeakPolarHBondContact O-CG 3.36Å; E71-K75 PolarHBondContact O-N 3.29Å; E72-K75 PolarHBondContact O-N 3.45Å |
| 76 | K | 78.5 | Confident | 86.4 | Confident | 148 Ų | 148 | 110.1 Ų | 110.1 | 64% | 0.643 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -82.7 | -11.4 | 180 | -73.2 | 170.5 | -176.9 | 163.3 | 0 | 113.5 | E72 A73 Q74 S78 | E72-K76 WeakPolarHBondContact O-CB 3.41Å; E72-K76 VanDerWaalsContact O-CG 3.27Å; E72-K76 WeakPolarHBondContact O-CG 3.26Å; E72-K76 PolarHBondContact O-N 3.37Å; E72-K76 IonicContact OE2-NZ 3.97Å; E72-K76 PolarHBondContact OE2-NZ 3.06Å; A73-K76 PolarHBondContact O-N 3.43Å; Q74-K76 VanDerWaalsContact C-N 3.29Å; Q74-K76 PolarHBondContact O-N 3.41Å; K76-S78 PolarHBondContact O-N 2.92Å |
| 77 | K | 80.3 | Confident | 86.1 | Confident | 94 Ų | 94 | 115.3 Ų | 115.3 | 41% | 0.409 | 55% | 0.547 | S | S | . | . | trans | -67.5 | 124.9 | 176.9 | -74.9 | 174.5 | -171.8 | -172 | 0 | 109.6 | A73 Q74 E81 I82 | A73-K77 WeakPolarHBondContact O-CG 3.32Å; A73-K77 PolarHBondContact O-N 3.5Å; Q74-K77 PolarHBondContact O-N 2.88Å; K77-E81 WeakPolarHBondContact CA-OE2 3.24Å; K77-I82 HydrophobicContact CB-CD1 4.28Å; K77-I82 HydrophobicContact CB-CG1 3.99Å | ||
| 78 | S | 82.1 | Confident | 85.8 | Confident | 65 Ų | 65 | 116.9 Ų | 116.9 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | trans | -69.7 | 147.6 | 172.3 | 176.1 | 0 | 0 | 0 | 0 | 110.2 | K76 L80 E81 I82 | K76-S78 PolarHBondContact O-N 2.92Å; S78-L80 PolarHBondContact O-N 3.34Å; S78-L80 VanDerWaalsContact O-N 3.12Å; S78-E81 PolarHBondContact N-OE2 3.06Å; S78-E81 WeakPolarHBondContact O-CA 3.33Å; S78-E81 WeakPolarHBondContact O-CB 3.44Å; S78-E81 PolarHBondContact O-N 3.47Å; S78-I82 PolarHBondContact O-N 2.95Å; S78-I82 VanDerWaalsContact O-N 3.08Å | ||
| 79 | D | 82.8 | Confident | 85.4 | Confident | 136 Ų | 136 | 119.8 Ų | 119.8 | 73% | 0.727 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -51.2 | -37.7 | 175.9 | -71.1 | -20.7 | 0 | 0 | 0 | 111.8 | I82 E83 | D79-I82 PolarHBondContact O-N 3.13Å; D79-E83 PolarHBondContact O-N 3.48Å |
| 80 | L | 85.1 | Confident | 84.6 | Confident | 114 Ų | 114 | 124.4 Ų | 124.4 | 60% | 0.597 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.9 | -42 | 175.3 | 179.7 | 62.6 | 0 | 0 | 0 | 112.7 | S78 I82 E83 L84 | S78-L80 PolarHBondContact O-N 3.34Å; S78-L80 VanDerWaalsContact O-N 3.12Å; L80-I82 VanDerWaalsContact C-N 3.33Å; L80-E83 PolarHBondContact O-N 2.88Å; L80-L84 HydrophobicContact CG-CD1 4.29Å; L80-L84 WeakPolarHBondContact O-CG 3.48Å; L80-L84 PolarHBondContact O-N 3.24Å |
| 81 | E | 84.1 | Confident | 84.4 | Confident | 100 Ų | 100 | 124.9 Ų | 124.9 | 47% | 0.467 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.2 | -37 | 178.6 | -67.2 | 175.8 | 145.6 | 0 | 0 | 111.4 | K77 S78 E83 L85 | K77-E81 WeakPolarHBondContact CA-OE2 3.24Å; S78-E81 PolarHBondContact N-OE2 3.06Å; S78-E81 WeakPolarHBondContact O-CA 3.33Å; S78-E81 WeakPolarHBondContact O-CB 3.44Å; S78-E81 PolarHBondContact O-N 3.47Å; E81-E83 VanDerWaalsContact C-N 3.33Å; E81-L85 WeakPolarHBondContact O-CB 3.17Å; E81-L85 WeakPolarHBondContact O-CG 3.44Å; E81-L85 PolarHBondContact O-N 3.38Å |
| 82 | I | 85.4 | Confident | 84.1 | Confident | 61 Ų | 61 | 126.4 Ų | 126.4 | 31% | 0.313 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.9 | -42.9 | 175.2 | -62.8 | 171.2 | 0 | 0 | 0 | 110.2 | K77 S78 D79 L80 K86 | K77-I82 HydrophobicContact CB-CD1 4.28Å; K77-I82 HydrophobicContact CB-CG1 3.99Å; S78-I82 PolarHBondContact O-N 2.95Å; S78-I82 VanDerWaalsContact O-N 3.08Å; D79-I82 PolarHBondContact O-N 3.13Å; L80-I82 VanDerWaalsContact C-N 3.33Å; I82-K86 HydrophobicContact CG2-CD 4.49Å; I82-K86 WeakPolarHBondContact O-CG 3.26Å; I82-K86 PolarHBondContact O-N 3.16Å; I82-K86 VanDerWaalsContact O-N 3.07Å |
| 83 | E | 88.9 | Confident | 84 | Confident | 127 Ų | 127 | 127.5 Ų | 127.5 | 59% | 0.593 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.1 | -39.3 | -179.2 | -165.6 | 160.1 | -158.7 | 0 | 0 | 112.7 | D79 L80 E81 K86 R87 | D79-E83 PolarHBondContact O-N 3.48Å; L80-E83 PolarHBondContact O-N 2.88Å; E81-E83 VanDerWaalsContact C-N 3.33Å; E83-K86 PolarHBondContact O-N 3.15Å; E83-R87 PolarHBondContact O-N 3.36Å; E83-R87 VanDerWaalsContact O-N 3.09Å |
| 84 | L | 89.6 | Confident | 84 | Confident | 109 Ų | 109 | 132 Ų | 132 | 57% | 0.571 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -59.9 | -45.5 | 172.2 | -74 | 172.1 | 0 | 0 | 0 | 111.8 | L80 K86 R87 Q88 | L80-L84 HydrophobicContact CG-CD1 4.29Å; L80-L84 WeakPolarHBondContact O-CG 3.48Å; L80-L84 PolarHBondContact O-N 3.24Å; L84-K86 PolarHBondContact O-N 3.25Å; L84-R87 PolarHBondContact O-N 3.07Å; L84-Q88 PolarHBondContact O-N 3.39Å; L84-Q88 VanDerWaalsContact O-N 3.11Å |
| 85 | L | 86.7 | Confident | 84.3 | Confident | 73 Ų | 73 | 131.6 Ų | 131.6 | 38% | 0.382 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -60.5 | -43.8 | 176.3 | -84.4 | 161.8 | 0 | 0 | 0 | 112.4 | E81 R87 Q88 Q89 | E81-L85 WeakPolarHBondContact O-CB 3.17Å; E81-L85 WeakPolarHBondContact O-CG 3.44Å; E81-L85 PolarHBondContact O-N 3.38Å; L85-R87 VanDerWaalsContact C-N 3.26Å; L85-R87 PolarHBondContact O-N 3.03Å; L85-Q88 PolarHBondContact O-N 3.07Å; L85-Q89 PolarHBondContact O-N 2.87Å |
| 86 | K | 90.8 | Very high | 84.6 | Confident | 146 Ų | 146 | 128.7 Ų | 128.7 | 64% | 0.635 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61 | -36.6 | 176.7 | -77.7 | 176 | -178.2 | 174.2 | 0 | 112.2 | I82 E83 L84 | I82-K86 HydrophobicContact CG2-CD 4.49Å; I82-K86 WeakPolarHBondContact O-CG 3.26Å; I82-K86 PolarHBondContact O-N 3.16Å; I82-K86 VanDerWaalsContact O-N 3.07Å; E83-K86 PolarHBondContact O-N 3.15Å; L84-K86 PolarHBondContact O-N 3.25Å |
| 87 | R | 87.3 | Confident | 85.1 | Confident | 194 Ų | 194 | 127.4 Ų | 127.4 | 73% | 0.732 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74.9 | -30.7 | -178 | -151.1 | 165.5 | -173.3 | 158 | -1.1 | 112.5 | E83 L84 L85 Q89 K90 | E83-R87 PolarHBondContact O-N 3.36Å; E83-R87 VanDerWaalsContact O-N 3.09Å; L84-R87 PolarHBondContact O-N 3.07Å; L85-R87 VanDerWaalsContact C-N 3.26Å; L85-R87 PolarHBondContact O-N 3.03Å; R87-Q89 VanDerWaalsContact C-N 3.34Å; R87-K90 PolarHBondContact O-N 2.78Å |
| 88 | Q | 88.7 | Confident | 85.4 | Confident | 159 Ų | 159 | 129.9 Ų | 129.9 | 74% | 0.743 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.5 | -27.6 | 174.6 | -169 | -179.9 | 19.9 | 0 | 0 | 113 | L84 L85 K90 | L84-Q88 PolarHBondContact O-N 3.39Å; L84-Q88 VanDerWaalsContact O-N 3.11Å; L85-Q88 PolarHBondContact O-N 3.07Å; Q88-K90 VanDerWaalsContact C-N 3.27Å; Q88-K90 PolarHBondContact O-N 3.3Å |
| 89 | Q | 84.5 | Confident | 85.7 | Confident | 164 Ų | 164 | 135.3 Ų | 135.3 | 77% | 0.766 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 3.5 | 178 | -66.9 | -178.9 | 10.1 | 0 | 0 | 113.8 | L85 R87 | L85-Q89 PolarHBondContact O-N 2.87Å; R87-Q89 VanDerWaalsContact C-N 3.34Å |
| 90 | K | 74.6 | Confident | 86 | Confident | 241 Ų | 241 | 135.3 Ų | 135.3 | 100% | 1.048 | 62% | 0.622 | S | S | * | * | trans | -104.4 | 0 | -178.3 | -146 | -175.2 | -168.2 | -174.8 | 0 | 110.3 | R87 Q88 | R87-K90 PolarHBondContact O-N 2.78Å; Q88-K90 VanDerWaalsContact C-N 3.27Å; Q88-K90 PolarHBondContact O-N 3.3Å |
Retrieved 90 of 90 residues in 24.1 ms
(Link to these results)