| 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 | 57 | Low | 80.2 | Confident | 233 Ų | 233 | 135.3 Ų | 135.3 | 100% | 1.148 | 65% | 0.646 | S | S | * | * | 0 | 125.5 | 0 | -63.9 | -176.3 | -163 | 0 | 0 | 109.6 | K3 | M1-K3 PolarHBondContact O-N 2.8Š| |||
| 2 | S | 75.6 | Confident | 80 | Confident | 87 Ų | 87 | 139.6 Ų | 139.6 | 61% | 0.608 | 65% | 0.651 | S | S | * | * | trans | -64.5 | 128.5 | 179.7 | -73.9 | 0 | 0 | 0 | 0 | 110.8 | R4 L5 K6 | S2-R4 PolarHBondContact O-N 3.14Å; S2-L5 PolarHBondContact O-N 3.28Å; S2-K6 PolarHBondContact O-N 3.18Å | ||
| 3 | K | 83.9 | Confident | 79.1 | Confident | 188 Ų | 188 | 140.8 Ų | 140.8 | 82% | 0.817 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -50.9 | -29.2 | 176.2 | -65.8 | 177 | 178.1 | 174.8 | 0 | 112.8 | M1 K7 | M1-K3 PolarHBondContact O-N 2.8Å; K3-K7 PolarHBondContact O-N 3.19Å |
| 4 | R | 82.7 | Confident | 78.1 | Confident | 222 Ų | 222 | 139.9 Ų | 139.9 | 84% | 0.838 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.5 | -37.3 | 176.5 | -164.4 | 170.7 | -174 | 151 | 0.9 | 113.2 | S2 F8 | S2-R4 PolarHBondContact O-N 3.14Å; R4-F8 PolarHBondContact O-N 3.02Å |
| 5 | L | 82.6 | Confident | 77 | Confident | 106 Ų | 106 | 145.1 Ų | 145.1 | 56% | 0.555 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -75.1 | -38.4 | 179.2 | -165.3 | 67.6 | 0 | 0 | 0 | 111.1 | S2 K7 F8 V9 | S2-L5 PolarHBondContact O-N 3.28Å; L5-K7 VanDerWaalsContact C-N 3.35Å; L5-K7 PolarHBondContact O-N 3.15Å; L5-F8 PolarHBondContact O-N 3.1Å; L5-V9 WeakPolarHBondContact O-CG2 3.27Å; L5-V9 PolarHBondContact O-N 2.76Å |
| 6 | K | 82.9 | Confident | 76 | Confident | 121 Ų | 121 | 146.1 Ų | 146.1 | 53% | 0.526 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -60.9 | -43.2 | 173.5 | -177.3 | 130.7 | 177.9 | 54.7 | 0 | 111.7 | S2 F8 V9 D10 | S2-K6 PolarHBondContact O-N 3.18Å; K6-F8 VanDerWaalsContact C-N 3.31Å; K6-F8 PolarHBondContact O-N 3.01Å; K6-V9 PolarHBondContact O-N 2.78Å; K6-D10 WeakPolarHBondContact CG-OD2 3.48Å; K6-D10 VanDerWaalsContact NZ-CG 3.26Å; K6-D10 IonicContact NZ-OD1 2.77Å; K6-D10 PolarHBondContact NZ-OD1 2.84Å; K6-D10 IonicContact NZ-OD2 2.89Å; K6-D10 PolarHBondContact NZ-OD2 2.75Å; K6-D10 WeakPolarHBondContact O-CB 3.43Å; K6-D10 PolarHBondContact O-N 2.99Å |
| 7 | K | 84.2 | Confident | 75 | Confident | 162 Ų | 162 | 147 Ų | 147 | 70% | 0.704 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -61.8 | -36.3 | 174 | -78.5 | -169.1 | 171.9 | -176.3 | 0 | 113.7 | K3 L5 N11 | K3-K7 PolarHBondContact O-N 3.19Å; L5-K7 VanDerWaalsContact C-N 3.35Å; L5-K7 PolarHBondContact O-N 3.15Å; K7-N11 WeakPolarHBondContact O-CB 3.09Å; K7-N11 PolarHBondContact O-N 2.85Å |
| 8 | F | 87 | Confident | 74.3 | Confident | 125 Ų | 125 | 148.8 Ų | 148.8 | 55% | 0.548 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -69.2 | -45 | 178.2 | -175 | -98.6 | 0 | 0 | 0 | 111.7 | R4 L5 K6 N11 W12 | R4-F8 PolarHBondContact O-N 3.02Å; L5-F8 PolarHBondContact O-N 3.1Å; K6-F8 VanDerWaalsContact C-N 3.31Å; K6-F8 PolarHBondContact O-N 3.01Å; F8-N11 PolarHBondContact O-N 3.07Å; F8-W12 HydrophobicContact CD1-CE3 4.31Å; F8-W12 AromaticContact CE1-CE3 3.41Å; F8-W12 HydrophobicContact CE1-CE3 3.41Å; F8-W12 VanDerWaalsContact CE1-CE3 3.41Å; F8-W12 AromaticContact CE1-CZ3 3.62Å; F8-W12 HydrophobicContact CE1-CZ3 3.62Å; F8-W12 AromaticContact CZ-CE3 3.63Å; F8-W12 HydrophobicContact CZ-CE3 3.63Å; F8-W12 AromaticContact CZ-CZ3 3.69Å; F8-W12 HydrophobicContact CZ-CZ3 3.69Å; F8-W12 WeakPolarHBondContact O-CB 3.08Å; F8-W12 PolarHBondContact O-N 3.29Å |
| 9 | V | 84.8 | Confident | 73.6 | Confident | 77 Ų | 77 | 149.2 Ų | 149.2 | 47% | 0.467 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -65.7 | -45.4 | 177.2 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | L5 K6 N11 W12 F13 | L5-V9 WeakPolarHBondContact O-CG2 3.27Å; L5-V9 PolarHBondContact O-N 2.76Å; K6-V9 PolarHBondContact O-N 2.78Å; V9-N11 VanDerWaalsContact C-N 3.35Å; V9-N11 PolarHBondContact O-N 2.77Å; V9-W12 PolarHBondContact O-N 2.74Å; V9-F13 PolarHBondContact O-N 2.97Å |
| 10 | D | 81.3 | Confident | 73 | Confident | 60 Ų | 60 | 151.6 Ų | 151.6 | 32% | 0.321 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -62.8 | -42.5 | 178.1 | -65.2 | -20.5 | 0 | 0 | 0 | 110.1 | K6 W12 F13 I14 | K6-D10 WeakPolarHBondContact CG-OD2 3.48Å; K6-D10 VanDerWaalsContact NZ-CG 3.26Å; K6-D10 IonicContact NZ-OD1 2.77Å; K6-D10 PolarHBondContact NZ-OD1 2.84Å; K6-D10 IonicContact NZ-OD2 2.89Å; K6-D10 PolarHBondContact NZ-OD2 2.75Å; K6-D10 WeakPolarHBondContact O-CB 3.43Å; K6-D10 PolarHBondContact O-N 2.99Å; D10-W12 VanDerWaalsContact C-N 3.31Å; D10-W12 PolarHBondContact O-N 3.42Å; D10-F13 PolarHBondContact O-N 2.93Å; D10-I14 HydrophobicContact CB-CD1 4.32Å; D10-I14 WeakPolarHBondContact O-CB 3.46Å; D10-I14 WeakPolarHBondContact O-CD1 3.23Å; D10-I14 WeakPolarHBondContact O-CG1 3.44Å; D10-I14 PolarHBondContact O-N 3.05Å |
| 11 | N | 80.2 | Confident | 72.6 | Confident | 107 Ų | 107 | 152 Ų | 152 | 57% | 0.572 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -71.4 | -21.8 | 177.5 | -166.9 | 84.6 | 0 | 0 | 0 | 114.2 | K7 F8 V9 | K7-N11 WeakPolarHBondContact O-CB 3.09Å; K7-N11 PolarHBondContact O-N 2.85Å; F8-N11 PolarHBondContact O-N 3.07Å; V9-N11 VanDerWaalsContact C-N 3.35Å; V9-N11 PolarHBondContact O-N 2.77Å |
| 12 | W | 77.2 | Confident | 73 | Confident | 187 Ų | 187 | 149.3 Ų | 149.3 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -74.3 | -44.3 | 172.3 | -167.7 | -51.1 | 0 | 0 | 0 | 110.2 | F8 V9 D10 I14 | F8-W12 HydrophobicContact CD1-CE3 4.31Å; F8-W12 AromaticContact CE1-CE3 3.41Å; F8-W12 HydrophobicContact CE1-CE3 3.41Å; F8-W12 VanDerWaalsContact CE1-CE3 3.41Å; F8-W12 AromaticContact CE1-CZ3 3.62Å; F8-W12 HydrophobicContact CE1-CZ3 3.62Å; F8-W12 AromaticContact CZ-CE3 3.63Å; F8-W12 HydrophobicContact CZ-CE3 3.63Å; F8-W12 AromaticContact CZ-CZ3 3.69Å; F8-W12 HydrophobicContact CZ-CZ3 3.69Å; F8-W12 WeakPolarHBondContact O-CB 3.08Å; F8-W12 PolarHBondContact O-N 3.29Å; V9-W12 PolarHBondContact O-N 2.74Å; D10-W12 VanDerWaalsContact C-N 3.31Å; D10-W12 PolarHBondContact O-N 3.42Å; W12-I14 VanDerWaalsContact C-N 3.33Å; W12-I14 PolarHBondContact O-N 3.47Å |
| 13 | F | 69.3 | Low | 72.7 | Confident | 155 Ų | 155 | 152.4 Ų | 152.4 | 68% | 0.68 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -73.9 | -21.9 | -179 | -121.7 | -86.4 | 0 | 0 | 0 | 113.6 | V9 D10 R15 | V9-F13 PolarHBondContact O-N 2.97Å; D10-F13 PolarHBondContact O-N 2.93Å; F13-R15 PolarHBondContact O-N 3.16Å |
| 14 | I | 65.2 | Low | 71.9 | Confident | 129 Ų | 129 | 150.4 Ų | 150.4 | 66% | 0.662 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 2.8 | -177.3 | -73.1 | 164.4 | 0 | 0 | 0 | 113.4 | D10 W12 E16 | D10-I14 HydrophobicContact CB-CD1 4.32Å; D10-I14 WeakPolarHBondContact O-CB 3.46Å; D10-I14 WeakPolarHBondContact O-CD1 3.23Å; D10-I14 WeakPolarHBondContact O-CG1 3.44Å; D10-I14 PolarHBondContact O-N 3.05Å; W12-I14 VanDerWaalsContact C-N 3.33Å; W12-I14 PolarHBondContact O-N 3.47Å; I14-E16 VanDerWaalsContact C-N 3.29Å; I14-E16 PolarHBondContact O-N 3.32Å |
| 15 | R | 60.5 | Low | 71.4 | Confident | 217 Ų | 217 | 145.2 Ų | 145.2 | 82% | 0.819 | 69% | 0.69 | S | S | * | * | trans | -90.2 | 29.5 | 179.8 | -150 | -176.1 | -72.8 | -171 | -4.8 | 114.4 | F13 | F13-R15 PolarHBondContact O-N 3.16Š| ||
| 16 | E | 60.9 | Low | 71.1 | Confident | 161 Ų | 161 | 145.3 Ų | 145.3 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -108.1 | 10.9 | -175.2 | -69.1 | -155.5 | 151.2 | 0 | 0 | 115.8 | I14 | I14-E16 VanDerWaalsContact C-N 3.29Å; I14-E16 PolarHBondContact O-N 3.32Å |
| 17 | D | 59.9 | Low | 70.5 | Confident | 162 Ų | 162 | 146 Ų | 146 | 87% | 0.866 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -137.4 | 17.5 | -170.7 | -117.8 | -49.1 | 0 | 0 | 0 | 116.6 | ||
| 18 | E | 61.4 | Low | 69.8 | Low | 180 Ų | 180 | 145.7 Ų | 145.7 | 84% | 0.841 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -138.5 | 109.8 | 173.2 | -150.6 | 162.3 | -157 | 0 | 0 | 109.1 | ||
| 19 | E | 62.5 | Low | 68.8 | Low | 156 Ų | 156 | 144.3 Ų | 144.3 | 73% | 0.729 | 72% | 0.715 | S | S | * | * | trans | 56 | 111.5 | 173.5 | 65.7 | -166.2 | 171.8 | 0 | 0 | 117.7 | E21 | E19-E21 HydrophobicContact CG-CG 4.4Å; E19-E21 PolarHBondContact O-N 3.39Å | ||
| 20 | E | 61.4 | Low | 68 | Low | 196 Ų | 196 | 147.5 Ų | 147.5 | 92% | 0.916 | 73% | 0.73 | S | S | * | * | trans | -62.7 | 79.7 | 164.2 | -56 | -174.4 | -159.5 | 0 | 0 | 109.1 | E22 | E20-E22 VanDerWaalsContact C-N 3.28Å; E20-E22 PolarHBondContact O-N 2.82Å | ||
| 21 | E | 63.5 | Low | 67.4 | Low | 162 Ų | 162 | 152.5 Ų | 152.5 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | -66.3 | 96.2 | 162.6 | -74.9 | -167.1 | 156.7 | 0 | 0 | 106.9 | E19 I23 | E19-E21 HydrophobicContact CG-CG 4.4Å; E19-E21 PolarHBondContact O-N 3.39Å; E21-I23 PolarHBondContact O-N 2.74Å | ||
| 22 | E | 66.2 | Low | 66.5 | Low | 175 Ų | 175 | 155.4 Ų | 155.4 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -43.6 | 107.7 | 166.6 | -73.6 | 172.9 | 159.2 | 0 | 0 | 108.4 | E20 N24 | E20-E22 VanDerWaalsContact C-N 3.28Å; E20-E22 PolarHBondContact O-N 2.82Å; E22-N24 PolarHBondContact O-N 3.4Å | ||
| 23 | I | 68.4 | Low | 65.9 | Low | 152 Ų | 152 | 154.6 Ų | 154.6 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | -61.2 | 103.3 | 169.1 | 46.5 | 156.7 | 0 | 0 | 0 | 106.9 | E21 V25 | E21-I23 PolarHBondContact O-N 2.74Å; I23-V25 VanDerWaalsContact C-N 3.3Å; I23-V25 PolarHBondContact O-N 3.33Å | ||
| 24 | N | 67.9 | Low | 65.2 | Low | 147 Ų | 147 | 154.6 Ų | 154.6 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -57.9 | 100 | 169.9 | -97.1 | -20.5 | 0 | 0 | 0 | 107.6 | E22 V26 | E22-N24 PolarHBondContact O-N 3.4Å; N24-V26 VanDerWaalsContact C-N 3.28Å; N24-V26 PolarHBondContact O-N 3.36Å | ||
| 25 | V | 71.6 | Confident | 64.8 | Low | 112 Ų | 112 | 151 Ų | 151 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | -64.2 | 101.5 | 162.8 | -176.1 | 0 | 0 | 0 | 0 | 104.2 | I23 D27 | I23-V25 VanDerWaalsContact C-N 3.3Å; I23-V25 PolarHBondContact O-N 3.33Å; V25-D27 VanDerWaalsContact C-N 3.34Å; V25-D27 PolarHBondContact O-N 2.7Å | ||
| 26 | V | 76 | Confident | 64.7 | Low | 108 Ų | 108 | 151.2 Ų | 151.2 | 66% | 0.655 | 77% | 0.77 | S | S | * | * | trans | -63.6 | 104.1 | 169.4 | 176.8 | 0 | 0 | 0 | 0 | 105.5 | N24 L28 | N24-V26 VanDerWaalsContact C-N 3.28Å; N24-V26 PolarHBondContact O-N 3.36Å; V26-L28 VanDerWaalsContact C-N 3.29Å; V26-L28 HydrophobicContact CG1-CD2 3.74Å; V26-L28 HydrophobicContact CG1-CG 4.25Å; V26-L28 PolarHBondContact O-N 2.78Å | ||
| 27 | D | 70.2 | Confident | 64.3 | Low | 136 Ų | 136 | 148.9 Ų | 148.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -62.9 | 96.6 | 167.6 | -83.5 | -26.1 | 0 | 0 | 0 | 107.4 | V25 S29 | V25-D27 VanDerWaalsContact C-N 3.34Å; V25-D27 PolarHBondContact O-N 2.7Å; D27-S29 PolarHBondContact O-N 2.73Å | ||
| 28 | L | 71.2 | Confident | 64 | Low | 156 Ų | 156 | 146.7 Ų | 146.7 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | -76.2 | 66.6 | 164.5 | -60.4 | 177.7 | 0 | 0 | 0 | 107.6 | V26 D30 | V26-L28 VanDerWaalsContact C-N 3.29Å; V26-L28 HydrophobicContact CG1-CD2 3.74Å; V26-L28 HydrophobicContact CG1-CG 4.25Å; V26-L28 PolarHBondContact O-N 2.78Å; L28-D30 VanDerWaalsContact C-N 3.34Å; L28-D30 PolarHBondContact O-N 2.92Å; L28-D30 VanDerWaalsContact O-N 3.1Å | ||
| 29 | S | 65.6 | Low | 63.5 | Low | 96 Ų | 96 | 142.3 Ų | 142.3 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | trans | -72.6 | 98.5 | 163 | -66.6 | 0 | 0 | 0 | 0 | 106.7 | D27 E31 | D27-S29 PolarHBondContact O-N 2.73Å; S29-E31 PolarHBondContact O-N 2.86Å | ||
| 30 | D | 68.4 | Low | 62.9 | Low | 143 Ų | 143 | 143.3 Ų | 143.3 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | trans | -62 | 98 | 167.9 | -168.5 | 68.8 | 0 | 0 | 0 | 107.4 | L28 E32 | L28-D30 VanDerWaalsContact C-N 3.34Å; L28-D30 PolarHBondContact O-N 2.92Å; L28-D30 VanDerWaalsContact O-N 3.1Å; D30-E32 PolarHBondContact O-N 2.76Å | ||
| 31 | E | 67.7 | Low | 62.2 | Low | 166 Ų | 166 | 142.2 Ų | 142.2 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -74.6 | 96.7 | 167.2 | 52.5 | -171.4 | 81.8 | 0 | 0 | 108.1 | S29 E33 | S29-E31 PolarHBondContact O-N 2.86Å; E31-E33 PolarHBondContact O-N 2.97Å | ||
| 32 | E | 61 | Low | 61.9 | Low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | trans | -66.9 | 83.6 | 166 | 51 | -168.3 | 116.9 | 0 | 0 | 109.2 | D30 | D30-E32 PolarHBondContact O-N 2.76Š| ||
| 33 | E | 66.2 | Low | 61.3 | Low | 171 Ų | 171 | 140.2 Ų | 140.2 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | -87.7 | 109.2 | 171.1 | -170.9 | 170.7 | 98.8 | 0 | 0 | 110.4 | E31 G35 | E31-E33 PolarHBondContact O-N 2.97Å; E33-G35 PolarHBondContact O-N 2.93Å | ||
| 34 | D | 53.6 | Low | 60.9 | Low | 154 Ų | 154 | 138.5 Ų | 138.5 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -56.9 | 111 | 170.5 | 4.2 | -62.9 | 0 | 0 | 0 | 112 | ||||
| 35 | G | 57 | Low | 60.2 | Low | 54 Ų | 54 | 136.4 Ų | 136.4 | 56% | 0.557 | 75% | 0.75 | S | S | * | * | trans | 176.2 | 114.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | E33 | E33-G35 PolarHBondContact O-N 2.93Š| ||
| 36 | Y | 58.9 | Low | 58.9 | Low | 222 Ų | 222 | 136.6 Ų | 136.6 | 87% | 0.871 | 76% | 0.755 | S | S | * | * | trans | 68.1 | 108.2 | 147.1 | 87.2 | -86.9 | 0 | 0 | 0 | 121 | ||||
| 37 | S | 51.9 | Low | 57.9 | Low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | 21.6 | 120.8 | 139.1 | -59.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 38 | S | 53.8 | Low | 57.2 | Low | 116 Ų | 116 | 140.9 Ų | 140.9 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | 156.8 | 118.5 | 98.2 | -164.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 39 | S | 49.7 | Very low | 56.6 | Low | 88 Ų | 88 | 139.1 Ų | 139.1 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | trans | 48.6 | 128.8 | 144.1 | -139.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 40 | H | 51.3 | Low | 55.8 | Low | 178 Ų | 178 | 140 Ų | 140 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | 76 | 110.8 | 162.3 | -59.1 | -79.8 | 0 | 0 | 0 | 117.5 | ||||
| 41 | H | 45.2 | Very low | 55 | Low | 173 Ų | 173 | 138.3 Ų | 138.3 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | -171.5 | 108.6 | 115.1 | -161.5 | -101.3 | 0 | 0 | 0 | 112.1 | |||||
| 42 | V | 57.6 | Low | 54.5 | Low | 114 Ų | 114 | 138 Ų | 138 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | 24.4 | 110.1 | 143.5 | -169.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 43 | E | 53.7 | Low | 54.1 | Low | 180 Ų | 180 | 140.9 Ų | 140.9 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | -63.4 | 133.2 | 167.5 | -63.6 | -139.9 | 131.3 | 0 | 0 | 112.7 | S45 | E43-S45 PolarHBondContact O-N 2.95Š| ||
| 44 | P | 61.2 | Low | 53.3 | Low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | -84 | 105.9 | 158.2 | 11.5 | 4.4 | 0 | 0 | 0 | 109.4 | C46 | P44-C46 PolarHBondContact O-N 3.34Š| ||
| 45 | S | 53.2 | Low | 53.4 | Low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -65.9 | 97 | 170.7 | -165.3 | 0 | 0 | 0 | 0 | 110.3 | E43 S47 | E43-S45 PolarHBondContact O-N 2.95Å; S45-S47 VanDerWaalsContact C-N 3.27Å; S45-S47 PolarHBondContact O-N 3.19Å | ||
| 46 | C | 44.3 | Very low | 52.8 | Low | 116 Ų | 116 | 144.2 Ų | 144.2 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -81.5 | 72.9 | 172 | 35.7 | 0 | 0 | 0 | 0 | 110.7 | P44 R48 | P44-C46 PolarHBondContact O-N 3.34Å; C46-R48 VanDerWaalsContact C-N 3.28Å; C46-R48 PolarHBondContact O-N 3.45Å | ||
| 47 | S | 55.1 | Low | 52.1 | Low | 102 Ų | 102 | 136.9 Ų | 136.9 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -69.4 | 83.5 | 163.7 | -69.5 | 0 | 0 | 0 | 0 | 110 | S45 S49 | S45-S47 VanDerWaalsContact C-N 3.27Å; S45-S47 PolarHBondContact O-N 3.19Å; S47-S49 PolarHBondContact O-N 3Å | ||
| 48 | R | 54 | Low | 52 | Low | 232 Ų | 232 | 139.7 Ų | 139.7 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | trans | -71.8 | 83 | 166.1 | -80.6 | 176.5 | 69.5 | 173 | 0.7 | 109 | C46 S50 | C46-R48 VanDerWaalsContact C-N 3.28Å; C46-R48 PolarHBondContact O-N 3.45Å; R48-S50 PolarHBondContact O-N 3.48Å | ||
| 49 | S | 59.6 | Low | 51.7 | Low | 118 Ų | 118 | 140.5 Ų | 140.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -63.4 | 113.2 | 167.9 | -122.7 | 0 | 0 | 0 | 0 | 109.7 | S47 S51 | S47-S49 PolarHBondContact O-N 3Å; S49-S51 PolarHBondContact O-N 2.95Å; S49-S51 VanDerWaalsContact O-N 3.16Å | ||
| 50 | S | 48.7 | Very low | 51.6 | Low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -73.6 | 97.3 | 171.3 | -56.1 | 0 | 0 | 0 | 0 | 109.8 | R48 | R48-S50 PolarHBondContact O-N 3.48Š| ||
| 51 | S | 51.4 | Low | 51.3 | Low | 107 Ų | 107 | 144.3 Ų | 144.3 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -95.9 | 100.2 | 171.2 | -168.6 | 0 | 0 | 0 | 0 | 109.8 | S49 | S49-S51 PolarHBondContact O-N 2.95Å; S49-S51 VanDerWaalsContact O-N 3.16Å | ||
| 52 | I | 58.3 | Low | 51.2 | Low | 159 Ų | 159 | 140.3 Ų | 140.3 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | -91.9 | 98.3 | 171.1 | -57.2 | 174.2 | 0 | 0 | 0 | 107.6 | ||||
| 53 | R | 52.4 | Low | 50.9 | Low | 227 Ų | 227 | 141.7 Ų | 141.7 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -151.9 | 110 | 161.3 | -62.4 | -169.5 | -173.4 | -130.4 | -1 | 111.6 | ||||
| 54 | S | 49.5 | Very low | 50.3 | Low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -177.6 | 139.6 | 152.2 | -88.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 55 | I | 54.4 | Low | 49.7 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | cis | -178.5 | 127.3 | -7.7 | 34.3 | 114.8 | 0 | 0 | 0 | 102.5 | ||||
| 56 | Q | 44 | Very low | 49.5 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -179.4 | 120.3 | 143.4 | -149.1 | 119.9 | 1.5 | 0 | 0 | 109.4 | ||||
| 57 | G | 44.5 | Very low | 50.5 | Low | 67 Ų | 67 | 141.9 Ų | 141.9 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 139.1 | 95 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 58 | D | 51.2 | Low | 50.5 | Low | 170 Ų | 170 | 142.5 Ų | 142.5 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | 65.7 | 117.7 | 154.6 | -66.7 | -55.6 | 0 | 0 | 0 | 121.5 | ||||
| 59 | V | 47.3 | Very low | 50.7 | Low | 133 Ų | 133 | 139.6 Ų | 139.6 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -73.9 | 145.3 | 165.4 | -160.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 60 | P | 47.7 | Very low | 50.1 | Low | 115 Ų | 115 | 140.8 Ų | 140.8 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | -157.1 | 170.4 | 56 | 41.8 | -18.8 | 0 | 0 | 0 | 120.1 | |||||
| 61 | R | 44.9 | Very low | 50.1 | Low | 232 Ų | 232 | 143.3 Ų | 143.3 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | trans | 96.1 | 109.7 | 139.7 | -158.4 | 163.1 | -179.4 | 153.9 | -2 | 117.6 | ||||
| 62 | A | 42.6 | Very low | 50.1 | Low | 89 Ų | 89 | 142.1 Ų | 142.1 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | -63.6 | 144.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 63 | V | 50.8 | Low | 49.8 | Very low | 143 Ų | 143 | 145.5 Ų | 145.5 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | 174.6 | 124.4 | 142.1 | 154.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 64 | G | 41.8 | Very low | 49.7 | Very low | 77 Ų | 77 | 144.8 Ų | 144.8 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 72.4 | 151.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 65 | A | 49 | Very low | 49.5 | Very low | 84 Ų | 84 | 143.2 Ų | 143.2 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | cis | -155.1 | 144 | -0.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | M67 | A65-M67 PolarHBondContact O-N 2.99Š| ||
| 66 | Q | 47.8 | Very low | 48.6 | Very low | 191 Ų | 191 | 140.6 Ų | 140.6 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 126.8 | 171.2 | -62.9 | -169.7 | -28.8 | 0 | 0 | 108.9 | ||
| 67 | M | 65.6 | Low | 48.9 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 116.9 | 170 | -61 | -57.1 | -70.8 | 0 | 0 | 108 | A65 | A65-M67 PolarHBondContact O-N 2.99Š|
| 68 | P | 56 | Low | 48.9 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 141.6 | 173.9 | -2.8 | 19.6 | 0 | 0 | 0 | 109.9 | D70 | P68-D70 PolarHBondContact O-N 3.3Š|
| 69 | L | 57.3 | Low | 49.1 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -70.2 | 98.3 | 171.6 | -69.9 | 169.8 | 0 | 0 | 0 | 109.4 | L71 | L69-L71 PolarHBondContact O-N 2.93Š| ||
| 70 | D | 47.8 | Very low | 49.5 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -87 | 100.3 | 171.6 | -152.5 | -28.5 | 0 | 0 | 0 | 109.2 | P68 S72 | P68-D70 PolarHBondContact O-N 3.3Å; D70-S72 VanDerWaalsContact C-N 3.33Å; D70-S72 PolarHBondContact O-N 3.05Å | ||
| 71 | L | 48.1 | Very low | 49.8 | Very low | 169 Ų | 169 | 139 Ų | 139 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -83.3 | 77.5 | 172.6 | -67.7 | 171 | 0 | 0 | 0 | 108.7 | L69 | L69-L71 PolarHBondContact O-N 2.93Š| ||
| 72 | S | 51.5 | Low | 50.5 | Low | 81 Ų | 81 | 134 Ų | 134 | 57% | 0.566 | 80% | 0.802 | S | S | * | * | trans | -155.2 | 115 | 172.9 | -137.8 | 0 | 0 | 0 | 0 | 114.7 | D70 | D70-S72 VanDerWaalsContact C-N 3.33Å; D70-S72 PolarHBondContact O-N 3.05Å | ||
| 73 | R | 52.2 | Low | 51.2 | Low | 231 Ų | 231 | 136.7 Ų | 136.7 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | 61.3 | 109.7 | 147.2 | -69.4 | 179.3 | -175.8 | -159.6 | 0.1 | 119.4 | ||||
| 74 | K | 50.2 | Low | 51.4 | Low | 212 Ų | 212 | 135.4 Ų | 135.4 | 92% | 0.922 | 80% | 0.8 | S | S | * | * | 68.4 | 96.4 | 117.1 | -167.4 | 172.6 | 179.3 | 177.7 | 0 | 116.5 | |||||
| 75 | G | 43.9 | Very low | 52.5 | Low | 77 Ų | 77 | 141.7 Ų | 141.7 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -179.5 | 115.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 76 | G | 36.1 | Very low | 53.1 | Low | 89 Ų | 89 | 143 Ų | 143 | 92% | 0.918 | 80% | 0.802 | S | S | * | * | trans | -64.9 | 138 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 77 | A | 49.7 | Very low | 53.8 | Low | 90 Ų | 90 | 139.5 Ų | 139.5 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -146.9 | 127.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | T79 | A77-T79 PolarHBondContact O-N 3.23Š| ||
| 78 | Q | 46.3 | Very low | 53.7 | Low | 198 Ų | 198 | 137.9 Ų | 137.9 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -46.8 | 120.3 | -178.8 | -68.7 | 164.9 | 56.6 | 0 | 0 | 111.4 | ||||
| 79 | T | 53.8 | Low | 53.9 | Low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -113.9 | 117.6 | 158.6 | 53.8 | 0 | 0 | 0 | 0 | 105.4 | A77 A81 | A77-T79 PolarHBondContact O-N 3.23Å; T79-A81 VanDerWaalsContact C-N 3.25Å; T79-A81 PolarHBondContact O-N 3.16Å | ||
| 80 | D | 55.8 | Low | 53.8 | Low | 159 Ų | 159 | 140.6 Ų | 140.6 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -51.8 | 95 | 166.8 | -69.1 | -65.2 | 0 | 0 | 0 | 108.3 | V82 | D80-V82 PolarHBondContact O-N 2.92Å; D80-V82 VanDerWaalsContact O-N 3.07Å | ||
| 81 | A | 54.9 | Low | 54.2 | Low | 74 Ų | 74 | 138.2 Ų | 138.2 | 61% | 0.612 | 79% | 0.79 | S | S | * | * | trans | -69.2 | 104.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | T79 D83 | T79-A81 VanDerWaalsContact C-N 3.25Å; T79-A81 PolarHBondContact O-N 3.16Å; A81-D83 PolarHBondContact O-N 3.05Å | ||
| 82 | V | 60.3 | Low | 54.3 | Low | 126 Ų | 126 | 138.6 Ų | 138.6 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -59.5 | 98.1 | 159.7 | -72.7 | 0 | 0 | 0 | 0 | 106.3 | D80 C84 | D80-V82 PolarHBondContact O-N 2.92Å; D80-V82 VanDerWaalsContact O-N 3.07Å; V82-C84 PolarHBondContact O-N 2.91Å | ||
| 83 | D | 56.4 | Low | 54.5 | Low | 147 Ų | 147 | 142.9 Ų | 142.9 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -61.6 | 79.6 | 168.3 | -82.8 | -58.2 | 0 | 0 | 0 | 107.9 | A81 R85 | A81-D83 PolarHBondContact O-N 3.05Å; D83-R85 PolarHBondContact O-N 3.27Å | ||
| 84 | C | 55.5 | Low | 54.7 | Low | 115 Ų | 115 | 136.9 Ų | 136.9 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -73.8 | 57.3 | 165.2 | -69.2 | 0 | 0 | 0 | 0 | 108.5 | V82 | V82-C84 PolarHBondContact O-N 2.91Š| ||
| 85 | R | 64.4 | Low | 54.9 | Low | 209 Ų | 209 | 135.3 Ų | 135.3 | 79% | 0.789 | 79% | 0.785 | S | S | * | * | trans | -83.5 | 119.7 | 168.3 | -161.3 | -177 | -177.2 | -155.3 | -0 | 106.6 | D83 S87 | D83-R85 PolarHBondContact O-N 3.27Å; R85-S87 PolarHBondContact O-N 3.19Å | ||
| 86 | P | 62.7 | Low | 55.8 | Low | 113 Ų | 113 | 140.3 Ų | 140.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -60.1 | 115.3 | 173.4 | 24.4 | -30.3 | 0 | 0 | 0 | 107.5 | V88 | P86-V88 PolarHBondContact O-N 3Å; P86-V88 VanDerWaalsContact O-N 3.15Å | ||
| 87 | S | 62.5 | Low | 57.2 | Low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -64.7 | 115.7 | 178.5 | -83.8 | 0 | 0 | 0 | 0 | 108.7 | R85 I89 | R85-S87 PolarHBondContact O-N 3.19Å; S87-I89 PolarHBondContact O-N 3.46Å | ||
| 88 | V | 62.3 | Low | 58.1 | Low | 134 Ų | 134 | 144.1 Ų | 144.1 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -60.3 | 117.4 | 165 | 174.5 | 0 | 0 | 0 | 0 | 107.1 | P86 K90 | P86-V88 PolarHBondContact O-N 3Å; P86-V88 VanDerWaalsContact O-N 3.15Å; V88-K90 PolarHBondContact O-N 2.85Å | ||
| 89 | I | 61.1 | Low | 59.6 | Low | 138 Ų | 138 | 138.7 Ų | 138.7 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | trans | -44.8 | 118.4 | -177 | -64 | 152.7 | 0 | 0 | 0 | 110.9 | S87 | S87-I89 PolarHBondContact O-N 3.46Š| ||
| 90 | K | 55.2 | Low | 60.9 | Low | 205 Ų | 205 | 136.9 Ų | 136.9 | 89% | 0.891 | 75% | 0.745 | S | S | * | * | trans | -90 | 99 | 157.2 | -81.5 | -178.3 | 175.7 | 172.6 | 0 | 107.1 | V88 Q92 | V88-K90 PolarHBondContact O-N 2.85Å; K90-Q92 PolarHBondContact O-N 3.3Å; K90-Q92 VanDerWaalsContact O-N 3.14Å | ||
| 91 | S | 55 | Low | 62.1 | Low | 93 Ų | 93 | 134.7 Ų | 134.7 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | trans | -62.7 | 106.9 | 168 | -38.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 92 | Q | 51.6 | Low | 63.5 | Low | 178 Ų | 178 | 135.5 Ų | 135.5 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | trans | 167 | 84.1 | 150.9 | -176.1 | 169.4 | 23.4 | 0 | 0 | 109.7 | K90 | K90-Q92 PolarHBondContact O-N 3.3Å; K90-Q92 VanDerWaalsContact O-N 3.14Å | ||
| 93 | E | 55.1 | Low | 64.6 | Low | 170 Ų | 170 | 135.2 Ų | 135.2 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 176.7 | 122.7 | 139.8 | -109.5 | 178.8 | 112.4 | 0 | 0 | 106.4 | ||
| 94 | S | 56 | Low | 66 | Low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | trans | 34.2 | 90.4 | 159.7 | -43 | 0 | 0 | 0 | 0 | 115.9 | E96 | S94-E96 PolarHBondContact O-N 3.27Š| ||
| 95 | F | 53.8 | Low | 67.3 | Low | 179 Ų | 179 | 136.6 Ų | 136.6 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | trans | -68.8 | 83.4 | 162.9 | -51.5 | -82.7 | 0 | 0 | 0 | 108 | L97 | F95-L97 PolarHBondContact O-N 3.04Š| ||
| 96 | E | 63.9 | Low | 67.8 | Low | 182 Ų | 182 | 133.2 Ų | 133.2 | 85% | 0.85 | 69% | 0.687 | S | S | * | * | trans | -68.3 | 107.8 | 161.5 | -160 | 164 | -158 | 0 | 0 | 105.1 | S94 | S94-E96 PolarHBondContact O-N 3.27Š| ||
| 97 | L | 66.1 | Low | 68.6 | Low | 152 Ų | 152 | 131.4 Ų | 131.4 | 80% | 0.796 | 68% | 0.677 | S | S | * | * | trans | -51.5 | 130 | 174.4 | -75 | 162.9 | 0 | 0 | 0 | 106.8 | F95 D99 | F95-L97 PolarHBondContact O-N 3.04Å; L97-D99 PolarHBondContact O-N 3.42Å | ||
| 98 | P | 67.7 | Low | 69.1 | Low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 67% | 0.671 | S | S | * | * | trans | -53.2 | 122.7 | 176.7 | 21 | -30 | 0 | 0 | 0 | 106.9 | V100 | P98-V100 VanDerWaalsContact C-N 3.28Å; P98-V100 WeakPolarHBondContact O-CG2 3.42Å; P98-V100 PolarHBondContact O-N 2.89Å | ||
| 99 | D | 78.3 | Confident | 69.1 | Low | 84 Ų | 84 | 128.9 Ų | 128.9 | 45% | 0.449 | 66% | 0.655 | S | S | . | * | trans | -61.5 | 97.1 | -177.8 | -176.5 | -1.4 | 0 | 0 | 0 | 107.6 | L97 D101 E102 H103 | L97-D99 PolarHBondContact O-N 3.42Å; D99-D101 PolarHBondContact O-N 3.01Å; D99-D101 WeakPolarHBondContact OD1-CA 3.13Å; D99-D101 VanDerWaalsContact OD1-CB 3.27Å; D99-D101 WeakPolarHBondContact OD1-CB 3.35Å; D99-D101 PolarHBondContact OD1-N 2.8Å; D99-E102 HydrophobicContact CB-CB 3.7Å; D99-E102 VanDerWaalsContact CG-N 3.32Å; D99-E102 WeakPolarHBondContact O-CA 3.48Å; D99-E102 WeakPolarHBondContact O-CB 3.44Å; D99-E102 PolarHBondContact O-N 3.15Å; D99-E102 PolarHBondContact OD1-N 3.43Å; D99-E102 VanDerWaalsContact OD1-N 3.1Å; D99-H103 PolarHBondContact O-N 3.05Å | ||
| 100 | V | 81.2 | Confident | 69.2 | Low | 87 Ų | 87 | 129.2 Ų | 129.2 | 53% | 0.527 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -59.2 | -36.7 | 179.5 | 175 | 0 | 0 | 0 | 0 | 108.3 | P98 E102 H103 F104 | P98-V100 VanDerWaalsContact C-N 3.28Å; P98-V100 WeakPolarHBondContact O-CG2 3.42Å; P98-V100 PolarHBondContact O-N 2.89Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 PolarHBondContact O-N 3.39Å; V100-H103 WeakPolarHBondContact O-CB 3.18Å; V100-H103 PolarHBondContact O-N 3.1Å; V100-H103 VanDerWaalsContact O-N 3.16Å; V100-F104 HydrophobicContact CG1-CD2 3.54Å; V100-F104 HydrophobicContact CG1-CE2 3.33Å; V100-F104 WeakPolarHBondContact O-CD2 3.34Å; V100-F104 PolarHBondContact O-N 3.01Å |
| 101 | D | 81.4 | Confident | 69.5 | Low | 114 Ų | 114 | 122.3 Ų | 122.3 | 61% | 0.61 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.7 | -34 | 175 | -66.5 | -34.7 | 0 | 0 | 0 | 111.4 | D99 R105 | D99-D101 PolarHBondContact O-N 3.01Å; D99-D101 WeakPolarHBondContact OD1-CA 3.13Å; D99-D101 VanDerWaalsContact OD1-CB 3.27Å; D99-D101 WeakPolarHBondContact OD1-CB 3.35Å; D99-D101 PolarHBondContact OD1-N 2.8Å; D101-R105 WeakPolarHBondContact O-CA 3.37Å; D101-R105 WeakPolarHBondContact O-CB 3.17Å; D101-R105 WeakPolarHBondContact O-CG 3.26Å; D101-R105 PolarHBondContact O-N 3.47Å |
| 102 | E | 83.2 | Confident | 69.6 | Low | 90 Ų | 90 | 122.5 Ų | 122.5 | 42% | 0.421 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.9 | -42.2 | 170.6 | -163.4 | -163.5 | 143.4 | 0 | 0 | 111.4 | D99 V100 R105 K106 | D99-E102 HydrophobicContact CB-CB 3.7Å; D99-E102 VanDerWaalsContact CG-N 3.32Å; D99-E102 WeakPolarHBondContact O-CA 3.48Å; D99-E102 WeakPolarHBondContact O-CB 3.44Å; D99-E102 PolarHBondContact O-N 3.15Å; D99-E102 PolarHBondContact OD1-N 3.43Å; D99-E102 VanDerWaalsContact OD1-N 3.1Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 PolarHBondContact O-N 3.39Å; E102-R105 PolarHBondContact O-N 2.99Å; E102-K106 HydrophobicContact CG-CD 3.66Å; E102-K106 HydrophobicContact CG-CG 4.46Å; E102-K106 WeakPolarHBondContact O-CB 2.9Å; E102-K106 WeakPolarHBondContact O-CD 3.16Å; E102-K106 WeakPolarHBondContact O-CG 3.12Å; E102-K106 PolarHBondContact O-N 3.5Å; E102-K106 VanDerWaalsContact OE1-CD 3.23Å; E102-K106 WeakPolarHBondContact OE1-CD 3.39Å; E102-K106 IonicContact OE1-NZ 3.04Å; E102-K106 PolarHBondContact OE1-NZ 2.93Å |
| 103 | H | 83.8 | Confident | 69.8 | Low | 121 Ų | 121 | 122.8 Ų | 122.8 | 56% | 0.56 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.7 | -48.2 | 177 | -179.9 | -86.3 | 0 | 0 | 0 | 111.5 | D99 V100 K106 S107 | D99-H103 PolarHBondContact O-N 3.05Å; V100-H103 WeakPolarHBondContact O-CB 3.18Å; V100-H103 PolarHBondContact O-N 3.1Å; V100-H103 VanDerWaalsContact O-N 3.16Å; H103-K106 PolarHBondContact O-N 3.05Å; H103-S107 VanDerWaalsContact O-CB 3.26Å; H103-S107 WeakPolarHBondContact O-CB 3.13Å; H103-S107 PolarHBondContact O-N 3.45Å; H103-S107 PolarHBondContact O-OG 3.46Å |
| 104 | F | 85.6 | Confident | 69.8 | Low | 108 Ų | 108 | 120.7 Ų | 120.7 | 47% | 0.474 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.6 | -41.4 | 176.8 | -76.8 | -71.7 | 0 | 0 | 0 | 111.7 | V100 K106 S107 L108 | V100-F104 HydrophobicContact CG1-CD2 3.54Å; V100-F104 HydrophobicContact CG1-CE2 3.33Å; V100-F104 WeakPolarHBondContact O-CD2 3.34Å; V100-F104 PolarHBondContact O-N 3.01Å; F104-K106 VanDerWaalsContact C-N 3.32Å; F104-K106 PolarHBondContact O-N 2.89Å; F104-S107 PolarHBondContact O-N 3.34Å; F104-L108 HydrophobicContact CB-CD1 4.46Å; F104-L108 HydrophobicContact CD1-CD1 3.94Å; F104-L108 HydrophobicContact CD1-CG 4.48Å; F104-L108 WeakPolarHBondContact O-CA 2.78Å; F104-L108 WeakPolarHBondContact O-CB 3.31Å; F104-L108 WeakPolarHBondContact O-CG 3.19Å; F104-L108 PolarHBondContact O-N 2.79Å |
| 105 | R | 82.2 | Confident | 69.9 | Low | 182 Ų | 182 | 119.6 Ų | 119.6 | 69% | 0.687 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.1 | -41.9 | 174.5 | -78.6 | 173.6 | 57.6 | -164 | -6.5 | 110.9 | D101 E102 S109 | D101-R105 WeakPolarHBondContact O-CA 3.37Å; D101-R105 WeakPolarHBondContact O-CB 3.17Å; D101-R105 WeakPolarHBondContact O-CG 3.26Å; D101-R105 PolarHBondContact O-N 3.47Å; E102-R105 PolarHBondContact O-N 2.99Å; R105-S109 WeakPolarHBondContact O-CA 3.45Å; R105-S109 WeakPolarHBondContact O-CB 3.33Å; R105-S109 PolarHBondContact O-N 3.2Å; R105-S109 PolarHBondContact O-OG 3.37Å |
| 106 | K | 76 | Confident | 70 | Confident | 138 Ų | 138 | 115.8 Ų | 115.8 | 60% | 0.6 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.1 | -39.1 | 178.3 | -76.1 | 157.8 | 78.7 | 173 | 0 | 112.7 | E102 H103 F104 S109 | E102-K106 HydrophobicContact CG-CD 3.66Å; E102-K106 HydrophobicContact CG-CG 4.46Å; E102-K106 WeakPolarHBondContact O-CB 2.9Å; E102-K106 WeakPolarHBondContact O-CD 3.16Å; E102-K106 WeakPolarHBondContact O-CG 3.12Å; E102-K106 PolarHBondContact O-N 3.5Å; E102-K106 VanDerWaalsContact OE1-CD 3.23Å; E102-K106 WeakPolarHBondContact OE1-CD 3.39Å; E102-K106 IonicContact OE1-NZ 3.04Å; E102-K106 PolarHBondContact OE1-NZ 2.93Å; H103-K106 PolarHBondContact O-N 3.05Å; F104-K106 VanDerWaalsContact C-N 3.32Å; F104-K106 PolarHBondContact O-N 2.89Å; K106-S109 PolarHBondContact O-OG 2.9Å |
| 107 | S | 79.7 | Confident | 69.8 | Low | 75 Ų | 75 | 109.5 Ų | 109.5 | 52% | 0.524 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -77.7 | -36.6 | -176.4 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | H103 F104 | H103-S107 VanDerWaalsContact O-CB 3.26Å; H103-S107 WeakPolarHBondContact O-CB 3.13Å; H103-S107 PolarHBondContact O-N 3.45Å; H103-S107 PolarHBondContact O-OG 3.46Å; F104-S107 PolarHBondContact O-N 3.34Å |
| 108 | L | 72.5 | Confident | 69.6 | Low | 129 Ų | 129 | 109.5 Ų | 109.5 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -104.7 | -3 | -178.6 | -54.6 | 178.9 | 0 | 0 | 0 | 113 | F104 F110 | F104-L108 HydrophobicContact CB-CD1 4.46Å; F104-L108 HydrophobicContact CD1-CD1 3.94Å; F104-L108 HydrophobicContact CD1-CG 4.48Å; F104-L108 WeakPolarHBondContact O-CA 2.78Å; F104-L108 WeakPolarHBondContact O-CB 3.31Å; F104-L108 WeakPolarHBondContact O-CG 3.19Å; F104-L108 PolarHBondContact O-N 2.79Å; L108-F110 PolarHBondContact O-N 2.85Å |
| 109 | S | 62.6 | Low | 69.4 | Low | 69 Ų | 69 | 106.4 Ų | 106.4 | 48% | 0.483 | 55% | 0.548 | S | S | . | . | trans | -68.5 | 79.9 | 165.7 | 60.1 | 0 | 0 | 0 | 0 | 108 | R105 K106 T111 | R105-S109 WeakPolarHBondContact O-CA 3.45Å; R105-S109 WeakPolarHBondContact O-CB 3.33Å; R105-S109 PolarHBondContact O-N 3.2Å; R105-S109 PolarHBondContact O-OG 3.37Å; K106-S109 PolarHBondContact O-OG 2.9Å; S109-T111 PolarHBondContact O-N 2.83Å | ||
| 110 | F | 63 | Low | 69.4 | Low | 145 Ų | 145 | 107.9 Ų | 107.9 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | trans | -62.6 | 95.7 | 153.7 | -171.1 | -107 | 0 | 0 | 0 | 106.3 | L108 P112 I115 | L108-F110 PolarHBondContact O-N 2.85Å; F110-P112 WeakPolarHBondContact O-CD 3.34Å; F110-I115 HydrophobicContact CD1-CG2 4.35Å; F110-I115 HydrophobicContact CE1-CB 4.36Å; F110-I115 HydrophobicContact CE1-CD1 4.2Å; F110-I115 HydrophobicContact CE1-CG1 4.45Å; F110-I115 HydrophobicContact CE1-CG2 3.15Å; F110-I115 HydrophobicContact CE2-CG2 4.01Å; F110-I115 HydrophobicContact CZ-CB 4.4Å; F110-I115 HydrophobicContact CZ-CG2 2.95Å | ||
| 111 | T | 60.1 | Low | 69.6 | Low | 60 Ų | 60 | 107.1 Ų | 107.1 | 37% | 0.368 | 55% | 0.546 | S | S | . | . | trans | -67.5 | 119.5 | 173 | 54.2 | 0 | 0 | 0 | 0 | 106.8 | S109 Q113 Q114 | S109-T111 PolarHBondContact O-N 2.83Å; T111-Q113 PolarHBondContact O-N 2.89Å; T111-Q114 PolarHBondContact O-N 2.95Å | ||
| 112 | P | 57.1 | Low | 69.9 | Low | 96 Ų | 96 | 103.2 Ų | 103.2 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -0.7 | 176.9 | 23.2 | -31.3 | 0 | 0 | 0 | 112.6 | F110 Q114 I115 | F110-P112 WeakPolarHBondContact O-CD 3.34Å; P112-Q114 VanDerWaalsContact C-N 3.33Å; P112-I115 VanDerWaalsContact C-CG1 3.5Å; P112-I115 HydrophobicContact CB-CD1 3.65Å; P112-I115 HydrophobicContact CB-CG1 4.08Å; P112-I115 WeakPolarHBondContact O-CG1 3.42Å |
| 113 | Q | 56.2 | Low | 70.1 | Confident | 185 Ų | 185 | 103 Ų | 103 | 86% | 0.864 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -16.2 | 169.6 | -73.5 | 172.2 | -15.1 | 0 | 0 | 113.2 | T111 | T111-Q113 PolarHBondContact O-N 2.89Š|
| 114 | Q | 55.9 | Low | 70.4 | Confident | 126 Ų | 126 | 103.3 Ų | 103.3 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -91.7 | -5.1 | 174.1 | -90.5 | -169.9 | -69.3 | 0 | 0 | 114.9 | T111 P112 N116 K120 | T111-Q114 PolarHBondContact O-N 2.95Å; P112-Q114 VanDerWaalsContact C-N 3.33Å; Q114-N116 VanDerWaalsContact C-N 3.31Å; Q114-N116 PolarHBondContact O-N 2.94Å; Q114-K120 PolarHBondContact O-NZ 3.46Å |
| 115 | I | 56.8 | Low | 70.8 | Confident | 83 Ų | 83 | 102.1 Ų | 102.1 | 43% | 0.426 | 52% | 0.523 | S | S | . | . | trans | -92 | 46 | 176.7 | 47.9 | 175 | 0 | 0 | 0 | 113.4 | F110 P112 A117 | F110-I115 HydrophobicContact CD1-CG2 4.35Å; F110-I115 HydrophobicContact CE1-CB 4.36Å; F110-I115 HydrophobicContact CE1-CD1 4.2Å; F110-I115 HydrophobicContact CE1-CG1 4.45Å; F110-I115 HydrophobicContact CE1-CG2 3.15Å; F110-I115 HydrophobicContact CE2-CG2 4.01Å; F110-I115 HydrophobicContact CZ-CB 4.4Å; F110-I115 HydrophobicContact CZ-CG2 2.95Å; P112-I115 VanDerWaalsContact C-CG1 3.5Å; P112-I115 HydrophobicContact CB-CD1 3.65Å; P112-I115 HydrophobicContact CB-CG1 4.08Å; P112-I115 WeakPolarHBondContact O-CG1 3.42Å; I115-A117 PolarHBondContact O-N 3.11Å | ||
| 116 | N | 57.5 | Low | 71.3 | Confident | 99 Ų | 99 | 94.3 Ų | 94.3 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | trans | -75.9 | 60.7 | 139.9 | -156.5 | -10.4 | 0 | 0 | 0 | 108.4 | Q114 E118 A119 K120 | Q114-N116 VanDerWaalsContact C-N 3.31Å; Q114-N116 PolarHBondContact O-N 2.94Å; N116-E118 PolarHBondContact O-N 3.44Å; N116-A119 HydrophobicContact CB-CB 4.09Å; N116-A119 WeakPolarHBondContact ND2-CB 3.19Å; N116-A119 PolarHBondContact O-N 3.04Å; N116-A119 WeakPolarHBondContact OD1-CB 3.47Å; N116-A119 PolarHBondContact OD1-N 3.4Å; N116-K120 PolarHBondContact O-N 3.35Å | ||
| 117 | A | 59.4 | Low | 72 | Confident | 50 Ų | 50 | 97.3 Ų | 97.3 | 41% | 0.413 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | -178.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | I115 K120 V121 | I115-A117 PolarHBondContact O-N 3.11Å; A117-K120 PolarHBondContact O-N 3.38Å; A117-V121 VanDerWaalsContact O-CB 3.31Å; A117-V121 WeakPolarHBondContact O-CB 3.21Å; A117-V121 WeakPolarHBondContact O-CG2 3.41Å; A117-V121 PolarHBondContact O-N 3.45Å |
| 118 | E | 61.8 | Low | 72.6 | Confident | 152 Ų | 152 | 97.2 Ų | 97.2 | 71% | 0.71 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60 | -46.9 | 174.1 | -65.3 | 179.9 | -177.5 | 0 | 0 | 111.9 | N116 K120 V121 D122 | N116-E118 PolarHBondContact O-N 3.44Å; E118-K120 PolarHBondContact O-N 3.22Å; E118-V121 PolarHBondContact O-N 3.48Å; E118-D122 WeakPolarHBondContact O-CB 3.42Å; E118-D122 PolarHBondContact O-N 3.46Å |
| 119 | A | 64.1 | Low | 73.4 | Confident | 42 Ų | 42 | 95 Ų | 95 | 35% | 0.347 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.2 | -31.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N116 D123 | N116-A119 HydrophobicContact CB-CB 4.09Å; N116-A119 WeakPolarHBondContact ND2-CB 3.19Å; N116-A119 PolarHBondContact O-N 3.04Å; N116-A119 WeakPolarHBondContact OD1-CB 3.47Å; N116-A119 PolarHBondContact OD1-N 3.4Å; A119-D123 WeakPolarHBondContact O-CB 3.14Å; A119-D123 PolarHBondContact O-N 3.41Å |
| 120 | K | 78.1 | Confident | 74.7 | Confident | 115 Ų | 115 | 93.2 Ų | 93.2 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.6 | -37.9 | 174 | -76.8 | 179.1 | -179.8 | 163.9 | 0 | 111.7 | Q114 N116 A117 E118 H124 | Q114-K120 PolarHBondContact O-NZ 3.46Å; N116-K120 PolarHBondContact O-N 3.35Å; A117-K120 PolarHBondContact O-N 3.38Å; E118-K120 PolarHBondContact O-N 3.22Å; K120-H124 WeakPolarHBondContact O-CB 3.31Å; K120-H124 PolarHBondContact O-N 3.04Å |
| 121 | V | 84.3 | Confident | 75.9 | Confident | 70 Ų | 70 | 94.7 Ų | 94.7 | 42% | 0.424 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.2 | -48.6 | 175.6 | 170.3 | 0 | 0 | 0 | 0 | 109.6 | A117 E118 D123 H124 F125 | A117-V121 VanDerWaalsContact O-CB 3.31Å; A117-V121 WeakPolarHBondContact O-CB 3.21Å; A117-V121 WeakPolarHBondContact O-CG2 3.41Å; A117-V121 PolarHBondContact O-N 3.45Å; E118-V121 PolarHBondContact O-N 3.48Å; V121-D123 VanDerWaalsContact C-N 3.35Å; V121-D123 PolarHBondContact O-N 3.08Å; V121-H124 WeakPolarHBondContact O-CB 3.09Å; V121-H124 PolarHBondContact O-N 3.33Å; V121-H124 VanDerWaalsContact O-N 3.15Å; V121-F125 HydrophobicContact CG1-CD2 3.64Å; V121-F125 HydrophobicContact CG1-CE2 3.53Å; V121-F125 WeakPolarHBondContact O-CD2 3.49Å; V121-F125 PolarHBondContact O-N 3.23Å |
| 122 | D | 87.7 | Confident | 77.4 | Confident | 33 Ų | 33 | 95.7 Ų | 95.7 | 18% | 0.176 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 176.8 | -78.4 | 14.9 | 0 | 0 | 0 | 111.3 | E118 F125 A126 W133 K137 | E118-D122 WeakPolarHBondContact O-CB 3.42Å; E118-D122 PolarHBondContact O-N 3.46Å; D122-F125 PolarHBondContact O-N 3.25Å; D122-A126 WeakPolarHBondContact O-CB 3.29Å; D122-A126 PolarHBondContact O-N 3.33Å; D122-W133 HydrophobicContact CB-CZ2 4.41Å; D122-W133 PolarHBondContact O-NE1 3.33Å; D122-W133 VanDerWaalsContact OD1-CZ2 3.31Å; D122-W133 WeakPolarHBondContact OD1-CZ2 3.04Å; D122-K137 IonicContact OD1-NZ 2.78Å; D122-K137 PolarHBondContact OD1-NZ 3.04Å; D122-K137 WeakPolarHBondContact OD2-CE 3.13Å; D122-K137 IonicContact OD2-NZ 3.76Å; D122-K137 PolarHBondContact OD2-NZ 3.16Å |
| 123 | D | 88.2 | Confident | 79.1 | Confident | 86 Ų | 86 | 92.9 Ų | 92.9 | 46% | 0.46 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 174 | -175.4 | 64.9 | 0 | 0 | 0 | 111.8 | A119 V121 F125 A126 R127 | A119-D123 WeakPolarHBondContact O-CB 3.14Å; A119-D123 PolarHBondContact O-N 3.41Å; V121-D123 VanDerWaalsContact C-N 3.35Å; V121-D123 PolarHBondContact O-N 3.08Å; D123-F125 PolarHBondContact O-N 3.44Å; D123-A126 PolarHBondContact O-N 2.98Å; D123-R127 VanDerWaalsContact O-CB 3.29Å; D123-R127 WeakPolarHBondContact O-CB 3.39Å; D123-R127 WeakPolarHBondContact O-CD 3.41Å; D123-R127 WeakPolarHBondContact O-CG 3.42Å; D123-R127 PolarHBondContact O-N 3.06Å; D123-R127 WeakPolarHBondContact OD2-CD 3.43Å; D123-R127 IonicContact OD2-NH1 2.89Å |
| 124 | H | 90.1 | Very high | 80.7 | Confident | 127 Ų | 127 | 91.1 Ų | 91.1 | 59% | 0.588 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59.8 | -49.4 | 177.3 | -177.2 | 77 | 0 | 0 | 0 | 111.5 | K120 V121 R127 A128 | K120-H124 WeakPolarHBondContact O-CB 3.31Å; K120-H124 PolarHBondContact O-N 3.04Å; V121-H124 WeakPolarHBondContact O-CB 3.09Å; V121-H124 PolarHBondContact O-N 3.33Å; V121-H124 VanDerWaalsContact O-N 3.15Å; H124-R127 PolarHBondContact O-N 3.27Å; H124-A128 WeakPolarHBondContact O-CB 3.4Å; H124-A128 PolarHBondContact O-N 3.25Å |
| 125 | F | 93.7 | Very high | 82.4 | Confident | 83 Ų | 83 | 88.3 Ų | 88.3 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71.1 | -38.9 | 178.7 | -73.9 | -70 | 0 | 0 | 0 | 112.7 | V121 D122 D123 R127 A128 L129 W133 | V121-F125 HydrophobicContact CG1-CD2 3.64Å; V121-F125 HydrophobicContact CG1-CE2 3.53Å; V121-F125 WeakPolarHBondContact O-CD2 3.49Å; V121-F125 PolarHBondContact O-N 3.23Å; D122-F125 PolarHBondContact O-N 3.25Å; D123-F125 PolarHBondContact O-N 3.44Å; F125-R127 VanDerWaalsContact C-N 3.27Å; F125-R127 PolarHBondContact O-N 3.38Å; F125-A128 PolarHBondContact O-N 3.09Å; F125-L129 HydrophobicContact CD1-CD1 4.34Å; F125-L129 WeakPolarHBondContact O-CB 3.12Å; F125-L129 PolarHBondContact O-N 2.86Å; F125-W133 HydrophobicContact CB-CD2 3.4Å; F125-W133 HydrophobicContact CB-CE3 3.5Å; F125-W133 HydrophobicContact CB-CG 3.95Å; F125-W133 HydrophobicContact CB-CH2 3.93Å; F125-W133 HydrophobicContact CB-CZ2 3.84Å; F125-W133 HydrophobicContact CB-CZ3 3.77Å; F125-W133 HydrophobicContact CD1-CE3 4.48Å; F125-W133 HydrophobicContact CD1-CZ3 4.28Å; F125-W133 AromaticContact CD2-CH2 3.76Å; F125-W133 HydrophobicContact CD2-CH2 3.76Å; F125-W133 HydrophobicContact CD2-CZ2 4.09Å; F125-W133 HydrophobicContact CD2-CZ3 4.08Å; F125-W133 HydrophobicContact CE2-CH2 4.48Å; F125-W133 HydrophobicContact CG-CD2 4.34Å; F125-W133 HydrophobicContact CG-CE3 4.02Å; F125-W133 AromaticContact CG-CH2 3.93Å; F125-W133 HydrophobicContact CG-CH2 3.93Å; F125-W133 HydrophobicContact CG-CZ2 4.25Å; F125-W133 AromaticContact CG-CZ3 3.81Å; F125-W133 HydrophobicContact CG-CZ3 3.81Å |
| 126 | A | 91.7 | Very high | 83.9 | Confident | 18 Ų | 18 | 88.4 Ų | 88.4 | 15% | 0.149 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D122 D123 G130 W133 W134 | D122-A126 WeakPolarHBondContact O-CB 3.29Å; D122-A126 PolarHBondContact O-N 3.33Å; D123-A126 PolarHBondContact O-N 2.98Å; A126-G130 WeakPolarHBondContact O-CA 3.4Å; A126-G130 PolarHBondContact O-N 3.14Å; A126-W133 HydrophobicContact CB-CG 4.42Å; A126-W134 HydrophobicContact CB-CZ2 3.87Å |
| 127 | R | 90.9 | Very high | 85.3 | Confident | 201 Ų | 201 | 86.1 Ų | 86.1 | 76% | 0.758 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -72.1 | -35.5 | 175.8 | -71.6 | 171.7 | 67.5 | 149.8 | 5.3 | 112.9 | D123 H124 F125 | D123-R127 VanDerWaalsContact O-CB 3.29Å; D123-R127 WeakPolarHBondContact O-CB 3.39Å; D123-R127 WeakPolarHBondContact O-CD 3.41Å; D123-R127 WeakPolarHBondContact O-CG 3.42Å; D123-R127 PolarHBondContact O-N 3.06Å; D123-R127 WeakPolarHBondContact OD2-CD 3.43Å; D123-R127 IonicContact OD2-NH1 2.89Å; H124-R127 PolarHBondContact O-N 3.27Å; F125-R127 VanDerWaalsContact C-N 3.27Å; F125-R127 PolarHBondContact O-N 3.38Å |
| 128 | A | 92 | Very high | 86.6 | Confident | 72 Ų | 72 | 86.1 Ų | 86.1 | 60% | 0.595 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -77.6 | -38.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H124 F125 | H124-A128 WeakPolarHBondContact O-CB 3.4Å; H124-A128 PolarHBondContact O-N 3.25Å; F125-A128 PolarHBondContact O-N 3.09Å |
| 129 | L | 91.1 | Very high | 87.7 | Confident | 83 Ų | 83 | 85.3 Ų | 85.3 | 44% | 0.435 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -114.3 | -14.2 | -170.7 | -61.2 | 175.3 | 0 | 0 | 0 | 113.8 | F125 E131 V132 W133 | F125-L129 HydrophobicContact CD1-CD1 4.34Å; F125-L129 WeakPolarHBondContact O-CB 3.12Å; F125-L129 PolarHBondContact O-N 2.86Å; L129-E131 PolarHBondContact O-N 3.49Å; L129-V132 HydrophobicContact CB-CB 4.33Å; L129-V132 PolarHBondContact O-N 3.38Å; L129-W133 HydrophobicContact CB-CB 4.09Å; L129-W133 HydrophobicContact CD1-CE3 4.35Å |
| 130 | G | 89.6 | Confident | 88.5 | Confident | 31 Ų | 31 | 88.4 Ų | 88.4 | 32% | 0.32 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | -128.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A126 V132 W133 | A126-G130 WeakPolarHBondContact O-CA 3.4Å; A126-G130 PolarHBondContact O-N 3.14Å; G130-V132 PolarHBondContact O-N 3.13Å; G130-W133 WeakPolarHBondContact O-CB 3.42Å; G130-W133 PolarHBondContact O-N 3.41Å; G130-W133 VanDerWaalsContact O-N 3.13Å |
| 131 | E | 88.4 | Confident | 88.4 | Confident | 176 Ų | 176 | 87.8 Ų | 87.8 | 82% | 0.822 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -58 | -29.1 | -179 | -64.6 | 178.2 | 175.5 | 0 | 0 | 113.7 | L129 W133 W134 A135 | L129-E131 PolarHBondContact O-N 3.49Å; E131-W133 VanDerWaalsContact C-N 3.28Å; E131-W133 PolarHBondContact O-N 3.18Å; E131-W134 PolarHBondContact O-N 3.4Å; E131-A135 PolarHBondContact O-N 2.79Å; E131-A135 VanDerWaalsContact O-N 3.09Å |
| 132 | V | 91.3 | Very high | 87.7 | Confident | 82 Ų | 82 | 90.3 Ų | 90.3 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 180 | 179.6 | 0 | 0 | 0 | 0 | 111 | L129 G130 A135 L136 | L129-V132 HydrophobicContact CB-CB 4.33Å; L129-V132 PolarHBondContact O-N 3.38Å; G130-V132 PolarHBondContact O-N 3.13Å; V132-A135 PolarHBondContact O-N 2.87Å; V132-L136 HydrophobicContact CG1-CD1 4.08Å; V132-L136 WeakPolarHBondContact O-CG 3.33Å; V132-L136 PolarHBondContact O-N 2.94Å |
| 133 | W | 92.8 | Very high | 86.6 | Confident | 36 Ų | 36 | 92.5 Ų | 92.5 | 14% | 0.136 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.9 | -49.5 | 177.3 | 176.9 | -116.4 | 0 | 0 | 0 | 111.6 | D122 F125 A126 L129 G130 E131 A135 L136 K137 | D122-W133 HydrophobicContact CB-CZ2 4.41Å; D122-W133 PolarHBondContact O-NE1 3.33Å; D122-W133 VanDerWaalsContact OD1-CZ2 3.31Å; D122-W133 WeakPolarHBondContact OD1-CZ2 3.04Å; F125-W133 HydrophobicContact CB-CD2 3.4Å; F125-W133 HydrophobicContact CB-CE3 3.5Å; F125-W133 HydrophobicContact CB-CG 3.95Å; F125-W133 HydrophobicContact CB-CH2 3.93Å; F125-W133 HydrophobicContact CB-CZ2 3.84Å; F125-W133 HydrophobicContact CB-CZ3 3.77Å; F125-W133 HydrophobicContact CD1-CE3 4.48Å; F125-W133 HydrophobicContact CD1-CZ3 4.28Å; F125-W133 AromaticContact CD2-CH2 3.76Å; F125-W133 HydrophobicContact CD2-CH2 3.76Å; F125-W133 HydrophobicContact CD2-CZ2 4.09Å; F125-W133 HydrophobicContact CD2-CZ3 4.08Å; F125-W133 HydrophobicContact CE2-CH2 4.48Å; F125-W133 HydrophobicContact CG-CD2 4.34Å; F125-W133 HydrophobicContact CG-CE3 4.02Å; F125-W133 AromaticContact CG-CH2 3.93Å; F125-W133 HydrophobicContact CG-CH2 3.93Å; F125-W133 HydrophobicContact CG-CZ2 4.25Å; F125-W133 AromaticContact CG-CZ3 3.81Å; F125-W133 HydrophobicContact CG-CZ3 3.81Å; A126-W133 HydrophobicContact CB-CG 4.42Å; L129-W133 HydrophobicContact CB-CB 4.09Å; L129-W133 HydrophobicContact CD1-CE3 4.35Å; G130-W133 WeakPolarHBondContact O-CB 3.42Å; G130-W133 PolarHBondContact O-N 3.41Å; G130-W133 VanDerWaalsContact O-N 3.13Å; E131-W133 VanDerWaalsContact C-N 3.28Å; E131-W133 PolarHBondContact O-N 3.18Å; W133-A135 VanDerWaalsContact C-N 3.31Å; W133-A135 PolarHBondContact O-N 2.73Å; W133-L136 PolarHBondContact O-N 2.92Å; W133-L136 VanDerWaalsContact O-N 3.14Å; W133-K137 HydrophobicContact CZ2-CD 4.11Å; W133-K137 PolarHBondContact O-N 3.49Å |
| 134 | W | 90.1 | Very high | 85.1 | Confident | 148 Ų | 148 | 93.6 Ų | 93.6 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.5 | -37.3 | -179.9 | -62.4 | 114.2 | 0 | 0 | 0 | 112.4 | A126 E131 K137 A138 | A126-W134 HydrophobicContact CB-CZ2 3.87Å; E131-W134 PolarHBondContact O-N 3.4Å; W134-K137 PolarHBondContact O-N 3.33Å; W134-A138 WeakPolarHBondContact O-CB 3.32Å; W134-A138 PolarHBondContact O-N 2.76Å |
| 135 | A | 90.5 | Very high | 83.5 | Confident | 67 Ų | 67 | 90.9 Ų | 90.9 | 55% | 0.554 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.8 | -37 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E131 V132 W133 K139 | E131-A135 PolarHBondContact O-N 2.79Å; E131-A135 VanDerWaalsContact O-N 3.09Å; V132-A135 PolarHBondContact O-N 2.87Å; W133-A135 VanDerWaalsContact C-N 3.31Å; W133-A135 PolarHBondContact O-N 2.73Å; A135-K139 PolarHBondContact O-N 3.3Å |
| 136 | L | 89.2 | Confident | 81.7 | Confident | 85 Ų | 85 | 90.1 Ų | 90.1 | 45% | 0.445 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.7 | -43.9 | 174.6 | -76.9 | 166 | 0 | 0 | 0 | 111.6 | V132 W133 K139 M140 | V132-L136 HydrophobicContact CG1-CD1 4.08Å; V132-L136 WeakPolarHBondContact O-CG 3.33Å; V132-L136 PolarHBondContact O-N 2.94Å; W133-L136 PolarHBondContact O-N 2.92Å; W133-L136 VanDerWaalsContact O-N 3.14Å; L136-K139 PolarHBondContact O-N 3.29Å; L136-M140 PolarHBondContact O-N 3.39Å |
| 137 | K | 86.7 | Confident | 80.1 | Confident | 51 Ų | 51 | 95.7 Ų | 95.7 | 22% | 0.222 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 178.8 | -161.4 | 79.1 | -178.1 | -157.2 | 0 | 111.2 | D122 W133 W134 K139 M140 D141 | D122-K137 IonicContact OD1-NZ 2.78Å; D122-K137 PolarHBondContact OD1-NZ 3.04Å; D122-K137 WeakPolarHBondContact OD2-CE 3.13Å; D122-K137 IonicContact OD2-NZ 3.76Å; D122-K137 PolarHBondContact OD2-NZ 3.16Å; W133-K137 HydrophobicContact CZ2-CD 4.11Å; W133-K137 PolarHBondContact O-N 3.49Å; W134-K137 PolarHBondContact O-N 3.33Å; K137-K139 VanDerWaalsContact C-N 3.31Å; K137-K139 PolarHBondContact O-N 3.02Å; K137-M140 HydrophobicContact CD-CE 4.21Å; K137-M140 WeakPolarHBondContact O-CB 3.15Å; K137-M140 PolarHBondContact O-N 3.21Å; K137-M140 VanDerWaalsContact O-N 3.08Å; K137-D141 PolarHBondContact O-N 2.89Å; K137-D141 VanDerWaalsContact O-N 3.16Å |
| 138 | A | 86.5 | Confident | 78.5 | Confident | 50 Ų | 50 | 90.5 Ų | 90.5 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.3 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W134 M140 D141 D142 | W134-A138 WeakPolarHBondContact O-CB 3.32Å; W134-A138 PolarHBondContact O-N 2.76Å; A138-M140 VanDerWaalsContact C-N 3.29Å; A138-M140 PolarHBondContact O-N 2.96Å; A138-D141 PolarHBondContact O-N 2.77Å; A138-D142 PolarHBondContact O-N 2.86Å |
| 139 | K | 85.1 | Confident | 76.5 | Confident | 135 Ų | 135 | 93.7 Ų | 93.7 | 59% | 0.587 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.6 | -30.6 | 178.6 | -165.7 | 170.9 | 64.2 | 158.2 | 0 | 112.7 | A135 L136 K137 D142 T143 | A135-K139 PolarHBondContact O-N 3.3Å; L136-K139 PolarHBondContact O-N 3.29Å; K137-K139 VanDerWaalsContact C-N 3.31Å; K137-K139 PolarHBondContact O-N 3.02Å; K139-D142 PolarHBondContact O-N 3.38Å; K139-T143 PolarHBondContact O-N 2.99Å; K139-T143 PolarHBondContact O-OG1 3.18Å |
| 140 | M | 81 | Confident | 74.2 | Confident | 108 Ų | 108 | 94.9 Ų | 94.9 | 53% | 0.532 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.5 | -38.4 | 176.7 | -166 | 167 | 74.8 | 0 | 0 | 111.5 | L136 K137 A138 D142 T143 N144 | L136-M140 PolarHBondContact O-N 3.39Å; K137-M140 HydrophobicContact CD-CE 4.21Å; K137-M140 WeakPolarHBondContact O-CB 3.15Å; K137-M140 PolarHBondContact O-N 3.21Å; K137-M140 VanDerWaalsContact O-N 3.08Å; A138-M140 VanDerWaalsContact C-N 3.29Å; A138-M140 PolarHBondContact O-N 2.96Å; M140-D142 VanDerWaalsContact C-N 3.3Å; M140-D142 PolarHBondContact O-N 3.46Å; M140-T143 PolarHBondContact O-N 3.45Å; M140-T143 PolarHBondContact O-OG1 2.99Å; M140-N144 PolarHBondContact O-N 3.19Å; M140-N144 VanDerWaalsContact O-N 3.11Å |
| 141 | D | 76.1 | Confident | 72.7 | Confident | 101 Ų | 101 | 98.5 Ų | 98.5 | 54% | 0.54 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.2 | -37.4 | 174.6 | -62.7 | -38.3 | 0 | 0 | 0 | 111.5 | K137 A138 T143 A145 | K137-D141 PolarHBondContact O-N 2.89Å; K137-D141 VanDerWaalsContact O-N 3.16Å; A138-D141 PolarHBondContact O-N 2.77Å; D141-T143 VanDerWaalsContact C-N 3.35Å; D141-T143 PolarHBondContact O-N 3.39Å; D141-A145 PolarHBondContact O-N 3.46Å |
| 142 | D | 69.6 | Low | 70.8 | Confident | 123 Ų | 123 | 100.1 Ų | 100.1 | 66% | 0.658 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.7 | -31.2 | 175.6 | -69.2 | -34.4 | 0 | 0 | 0 | 113.3 | A138 K139 M140 | A138-D142 PolarHBondContact O-N 2.86Å; K139-D142 PolarHBondContact O-N 3.38Å; M140-D142 VanDerWaalsContact C-N 3.3Å; M140-D142 PolarHBondContact O-N 3.46Å |
| 143 | T | 63.9 | Low | 69.7 | Low | 79 Ų | 79 | 101.1 Ų | 101.1 | 49% | 0.485 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -79.8 | -36.9 | -179.5 | 1.8 | 0 | 0 | 0 | 0 | 111.7 | K139 M140 D141 A145 A146 D147 | K139-T143 PolarHBondContact O-N 2.99Å; K139-T143 PolarHBondContact O-OG1 3.18Å; M140-T143 PolarHBondContact O-N 3.45Å; M140-T143 PolarHBondContact O-OG1 2.99Å; D141-T143 VanDerWaalsContact C-N 3.35Å; D141-T143 PolarHBondContact O-N 3.39Å; T143-A145 VanDerWaalsContact C-N 3.27Å; T143-A145 PolarHBondContact O-N 3.21Å; T143-A146 WeakPolarHBondContact O-CB 3.16Å; T143-A146 PolarHBondContact O-N 3.27Å; T143-D147 PolarHBondContact O-N 2.87Å |
| 144 | N | 57.4 | Low | 68.5 | Low | 110 Ų | 110 | 104.5 Ų | 104.5 | 59% | 0.588 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.2 | -28.6 | 178.8 | -152.6 | -13.6 | 0 | 0 | 0 | 112.5 | M140 A146 S148 | M140-N144 PolarHBondContact O-N 3.19Å; M140-N144 VanDerWaalsContact O-N 3.11Å; N144-A146 VanDerWaalsContact C-N 3.32Å; N144-S148 PolarHBondContact O-OG 2.99Å |
| 145 | A | 56.6 | Low | 67.3 | Low | 70 Ų | 70 | 102.1 Ų | 102.1 | 58% | 0.579 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.5 | -25.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D141 T143 | D141-A145 PolarHBondContact O-N 3.46Å; T143-A145 VanDerWaalsContact C-N 3.27Å; T143-A145 PolarHBondContact O-N 3.21Å |
| 146 | A | 56.1 | Low | 66 | Low | 66 Ų | 66 | 104.1 Ų | 104.1 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -81.2 | -31.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T143 N144 | T143-A146 WeakPolarHBondContact O-CB 3.16Å; T143-A146 PolarHBondContact O-N 3.27Å; N144-A146 VanDerWaalsContact C-N 3.32Å |
| 147 | D | 56.5 | Low | 64.5 | Low | 135 Ų | 135 | 105.3 Ų | 105.3 | 72% | 0.722 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -84.2 | -12.9 | -179.2 | -65.9 | -30.1 | 0 | 0 | 0 | 113.5 | T143 N149 | T143-D147 PolarHBondContact O-N 2.87Å; D147-N149 VanDerWaalsContact C-N 3.3Å; D147-N149 PolarHBondContact O-N 3.42Å |
| 148 | S | 58.1 | Low | 63 | Low | 92 Ų | 92 | 108.9 Ų | 108.9 | 64% | 0.643 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -4.3 | 178.1 | -58.7 | 0 | 0 | 0 | 0 | 113.9 | N144 | N144-S148 PolarHBondContact O-OG 2.99Š|
| 149 | N | 50 | Low | 61.4 | Low | 139 Ų | 139 | 113.1 Ų | 113.1 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | trans | -114.4 | 63.6 | -175.3 | -137.9 | 65 | 0 | 0 | 0 | 110.9 | D147 P151 | D147-N149 VanDerWaalsContact C-N 3.3Å; D147-N149 PolarHBondContact O-N 3.42Å; N149-P151 WeakPolarHBondContact O-CD 3.2Å | ||
| 150 | S | 43.7 | Very low | 59.5 | Low | 108 Ų | 108 | 111.5 Ų | 111.5 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | trans | -85.7 | 102.4 | 162.9 | 163.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 151 | P | 58 | Low | 57.7 | Low | 107 Ų | 107 | 111.8 Ų | 111.8 | 70% | 0.695 | 69% | 0.687 | S | S | * | * | trans | -78.7 | 137.5 | 169.4 | 32.1 | -32.7 | 0 | 0 | 0 | 110.1 | N149 | N149-P151 WeakPolarHBondContact O-CD 3.2Š| ||
| 152 | T | 46.9 | Very low | 56.1 | Low | 211 Ų | 211 | 112.7 Ų | 112.7 | 100% | 1.294 | 70% | 0.701 | S | S | * | * | trans | -59.4 | 0 | 164.3 | -42.5 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 152 of 152 residues in 66.2 ms
(Link to these results)