| 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 | 44 | Very low | 54.3 | Low | 221 Ų | 221 | 154.5 Ų | 154.5 | 100% | 1.089 | 79% | 0.787 | S | S | * | * | 0 | 42 | 0 | -62.5 | -69.8 | -169.1 | 0 | 0 | 107.2 | |||||
| 2 | D | 46 | Very low | 54.2 | Low | 143 Ų | 143 | 150.8 Ų | 150.8 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | 85 | 88.3 | 83.7 | -71.3 | 8.6 | 0 | 0 | 0 | 108 | |||||
| 3 | L | 44.7 | Very low | 54.2 | Low | 173 Ų | 173 | 149.6 Ų | 149.6 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | 45 | 95.8 | 84.2 | -83.6 | 162 | 0 | 0 | 0 | 112.2 | |||||
| 4 | A | 58.8 | Low | 54.6 | Low | 85 Ų | 85 | 149.1 Ų | 149.1 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | trans | -160.9 | 86.7 | 142.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | L6 | A4-L6 PolarHBondContact O-N 3.46Š| ||
| 5 | Y | 52.6 | Low | 55.1 | Low | 210 Ų | 210 | 147.9 Ų | 147.9 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -64.3 | 110 | 153.9 | -167.8 | -93.9 | 0 | 0 | 0 | 106.3 | D7 | Y5-D7 HydrophobicContact CD1-CB 4.07Å; Y5-D7 HydrophobicContact CE1-CB 4.3Å | ||
| 6 | L | 60.5 | Low | 55.3 | Low | 143 Ų | 143 | 145.9 Ų | 145.9 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -116.7 | 91.4 | 162.4 | -77.6 | 155.2 | 0 | 0 | 0 | 102.2 | A4 | A4-L6 PolarHBondContact O-N 3.46Š| ||
| 7 | D | 55 | Low | 55.4 | Low | 126 Ų | 126 | 145.5 Ų | 145.5 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | 40.2 | 71.2 | 67.9 | -147 | 28.6 | 0 | 0 | 0 | 111.3 | Y5 | Y5-D7 HydrophobicContact CD1-CB 4.07Å; Y5-D7 HydrophobicContact CE1-CB 4.3Å | |||
| 8 | D | 62.2 | Low | 55.3 | Low | 121 Ų | 121 | 141.3 Ų | 141.3 | 65% | 0.647 | 77% | 0.767 | S | S | * | * | trans | -140.1 | 93 | 161.2 | -100 | -42.8 | 0 | 0 | 0 | 110.1 | ||||
| 9 | K | 61.4 | Low | 55.5 | Low | 153 Ų | 153 | 140.8 Ų | 140.8 | 67% | 0.665 | 76% | 0.762 | S | S | * | * | trans | 65.9 | 77.8 | 140.4 | -56.7 | -167.9 | -177 | 73.3 | 0 | 116.7 | E11 | K9-E11 PolarHBondContact O-N 3.41Š| ||
| 10 | D | 52.3 | Low | 55.8 | Low | 177 Ų | 177 | 139 Ų | 139 | 95% | 0.947 | 75% | 0.752 | S | S | * | * | trans | -62.7 | 78.9 | 135.7 | -67 | -37.2 | 0 | 0 | 0 | 108.8 | ||||
| 11 | E | 59.5 | Low | 56 | Low | 148 Ų | 148 | 139.5 Ų | 139.5 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | -108 | 68.7 | 156.7 | -158.6 | 168.1 | -164.2 | 0 | 0 | 106.1 | K9 N13 | K9-E11 PolarHBondContact O-N 3.41Å; E11-N13 VanDerWaalsContact C-N 3.3Å; E11-N13 PolarHBondContact O-N 3.19Å | ||
| 12 | C | 53.2 | Low | 56.7 | Low | 110 Ų | 110 | 132.4 Ų | 132.4 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | trans | -57 | 109.2 | 153.8 | -101.5 | 0 | 0 | 0 | 0 | 105 | D14 | C12-D14 PolarHBondContact O-N 3.22Š| ||
| 13 | N | 53.9 | Low | 57.1 | Low | 135 Ų | 135 | 133.5 Ų | 133.5 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | -58.1 | 77.7 | 161.2 | -79.5 | -21.1 | 0 | 0 | 0 | 107.5 | E11 I15 | E11-N13 VanDerWaalsContact C-N 3.3Å; E11-N13 PolarHBondContact O-N 3.19Å; N13-I15 PolarHBondContact O-N 3.5Å | ||
| 14 | D | 60.5 | Low | 57.4 | Low | 143 Ų | 143 | 132 Ų | 132 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | trans | -66.5 | 88.2 | 161.2 | -88.2 | -10 | 0 | 0 | 0 | 105.4 | C12 S16 | C12-D14 PolarHBondContact O-N 3.22Å; D14-S16 PolarHBondContact O-N 3.16Å | ||
| 15 | I | 61.1 | Low | 56.9 | Low | 131 Ų | 131 | 136.7 Ų | 136.7 | 67% | 0.672 | 72% | 0.719 | S | S | * | * | trans | -65.8 | 98.6 | 159.7 | -53 | 172.6 | 0 | 0 | 0 | 103.3 | N13 I17 | N13-I15 PolarHBondContact O-N 3.5Å; I15-I17 HydrophobicContact CB-CG1 4.2Å; I15-I17 HydrophobicContact CG2-CD1 4.39Å; I15-I17 HydrophobicContact CG2-CG1 3.69Å; I15-I17 WeakPolarHBondContact O-CG1 3.31Å; I15-I17 PolarHBondContact O-N 3.11Å | ||
| 16 | S | 59 | Low | 56.5 | Low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | trans | -60.9 | 93.6 | 166.3 | -82.8 | 0 | 0 | 0 | 0 | 107.8 | D14 G18 | D14-S16 PolarHBondContact O-N 3.16Å; S16-G18 PolarHBondContact O-N 2.94Å | ||
| 17 | I | 57.7 | Low | 55.7 | Low | 138 Ų | 138 | 133.4 Ų | 133.4 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | trans | -83.5 | 30.2 | 170.6 | -52.1 | 159.9 | 0 | 0 | 0 | 108.8 | I15 I19 | I15-I17 HydrophobicContact CB-CG1 4.2Å; I15-I17 HydrophobicContact CG2-CD1 4.39Å; I15-I17 HydrophobicContact CG2-CG1 3.69Å; I15-I17 WeakPolarHBondContact O-CG1 3.31Å; I15-I17 PolarHBondContact O-N 3.11Å; I17-I19 PolarHBondContact O-N 2.67Å | ||
| 18 | G | 52.2 | Low | 55.3 | Low | 71 Ų | 71 | 132.4 Ų | 132.4 | 73% | 0.732 | 71% | 0.714 | S | S | * | * | trans | -74 | 74.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S16 D20 | S16-G18 PolarHBondContact O-N 2.94Å; G18-D20 VanDerWaalsContact C-N 3.31Å; G18-D20 PolarHBondContact O-N 3.22Å; G18-D20 VanDerWaalsContact O-N 3.16Å | ||
| 19 | I | 60.5 | Low | 54.6 | Low | 132 Ų | 132 | 134 Ų | 134 | 68% | 0.677 | 72% | 0.723 | S | S | * | * | trans | -73.3 | 97.4 | 157.9 | -62.2 | 171.1 | 0 | 0 | 0 | 104.7 | I17 I21 | I17-I19 PolarHBondContact O-N 2.67Å; I19-I21 HydrophobicContact CG2-CG1 4.4Å; I19-I21 HydrophobicContact CG2-CG2 4.49Å; I19-I21 WeakPolarHBondContact O-CG1 3.36Å; I19-I21 PolarHBondContact O-N 3.32Å | ||
| 20 | D | 60.4 | Low | 54.2 | Low | 104 Ų | 104 | 134.6 Ų | 134.6 | 56% | 0.556 | 73% | 0.733 | S | S | * | * | trans | -69.9 | 100 | 167.5 | -167.2 | -6.8 | 0 | 0 | 0 | 107.9 | G18 S22 | G18-D20 VanDerWaalsContact C-N 3.31Å; G18-D20 PolarHBondContact O-N 3.22Å; G18-D20 VanDerWaalsContact O-N 3.16Å; D20-S22 PolarHBondContact O-N 3.37Å; D20-S22 WeakPolarHBondContact OD1-CB 3.32Å; D20-S22 PolarHBondContact OD1-N 3.42Å; D20-S22 PolarHBondContact OD1-OG 3.3Å | ||
| 21 | I | 61 | Low | 54.3 | Low | 149 Ų | 149 | 129.3 Ų | 129.3 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 6.8 | 179.3 | -2.3 | 172.2 | 0 | 0 | 0 | 111.7 | I19 | I19-I21 HydrophobicContact CG2-CG1 4.4Å; I19-I21 HydrophobicContact CG2-CG2 4.49Å; I19-I21 WeakPolarHBondContact O-CG1 3.36Å; I19-I21 PolarHBondContact O-N 3.32Å |
| 22 | S | 57.4 | Low | 54.4 | Low | 72 Ų | 72 | 126.4 Ų | 126.4 | 50% | 0.503 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.8 | -4.4 | -168.3 | -44.1 | 0 | 0 | 0 | 0 | 114.7 | D20 Y25 | D20-S22 PolarHBondContact O-N 3.37Å; D20-S22 WeakPolarHBondContact OD1-CB 3.32Å; D20-S22 PolarHBondContact OD1-N 3.42Å; D20-S22 PolarHBondContact OD1-OG 3.3Å; S22-Y25 WeakPolarHBondContact O-CE1 3.34Å |
| 23 | E | 54.3 | Low | 55 | Low | 167 Ų | 167 | 127.2 Ų | 127.2 | 78% | 0.78 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -126.4 | 58 | -170.5 | -71.4 | -173.5 | 151 | 0 | 0 | 113.8 | ||
| 24 | D | 50.8 | Low | 55.9 | Low | 140 Ų | 140 | 126.2 Ų | 126.2 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | trans | -166.2 | 64.5 | 145.3 | -148.4 | 2 | 0 | 0 | 0 | 113.8 | ||||
| 25 | Y | 48.5 | Very low | 56.6 | Low | 185 Ų | 185 | 121.6 Ų | 121.6 | 73% | 0.725 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -129.4 | 40.2 | 168.5 | 56.7 | -91.3 | 0 | 0 | 0 | 112.1 | S22 | S22-Y25 WeakPolarHBondContact O-CE1 3.34Š|
| 26 | T | 44.9 | Very low | 57.2 | Low | 116 Ų | 116 | 118 Ų | 118 | 71% | 0.712 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -142.5 | 40.4 | 178.5 | 56.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 27 | Q | 44.4 | Very low | 58.1 | Low | 168 Ų | 168 | 117.6 Ų | 117.6 | 79% | 0.785 | 64% | 0.643 | S | S | * | * | trans | -156 | 64.4 | 171.1 | -155.3 | 80.1 | 50.1 | 0 | 0 | 116 | ||||
| 28 | T | 45.9 | Very low | 59.3 | Low | 104 Ų | 104 | 117.7 Ų | 117.7 | 64% | 0.638 | 64% | 0.638 | S | S | * | * | trans | -143.6 | 68.9 | 162.9 | 67 | 0 | 0 | 0 | 0 | 113.1 | V31 | T28-V31 HydrophobicContact CG2-CG2 3.97Š| ||
| 29 | N | 46.6 | Very low | 60.5 | Low | 155 Ų | 155 | 118.1 Ų | 118.1 | 83% | 0.829 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -89.6 | 113.7 | 155.9 | -70 | -44.4 | 0 | 0 | 0 | 106.9 | ||
| 30 | N | 53.6 | Low | 61.6 | Low | 166 Ų | 166 | 119.3 Ų | 119.3 | 89% | 0.888 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 87.2 | 58.7 | 178.4 | -49.9 | -72 | 0 | 0 | 0 | 117.8 | ||
| 31 | V | 55.7 | Low | 62.6 | Low | 65 Ų | 65 | 117 Ų | 117 | 39% | 0.394 | 61% | 0.613 | S | S | . | * | trans | -115.5 | 121.2 | 170.3 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | T28 S35 | T28-V31 HydrophobicContact CG2-CG2 3.97Å; V31-S35 WeakPolarHBondContact CG1-OG 2.95Å | ||
| 32 | S | 60.7 | Low | 63.7 | Low | 87 Ų | 87 | 115.1 Ų | 115.1 | 61% | 0.608 | 60% | 0.601 | S | S | * | * | trans | -53.4 | 141.7 | -179.7 | -163.2 | 0 | 0 | 0 | 0 | 111.1 | D34 S35 L36 | S32-D34 PolarHBondContact O-N 2.88Å; S32-D34 VanDerWaalsContact O-N 3.09Å; S32-S35 PolarHBondContact N-OG 3.33Å; S32-S35 PolarHBondContact O-N 3.34Å; S32-S35 PolarHBondContact O-OG 3.02Å; S32-L36 PolarHBondContact O-N 2.63Å | ||
| 33 | D | 65.4 | Low | 65.1 | Low | 128 Ų | 128 | 118.9 Ų | 118.9 | 68% | 0.684 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -51.5 | -39.4 | -175 | -71.1 | -27.2 | 0 | 0 | 0 | 112.9 | S35 L36 I37 | D33-S35 PolarHBondContact O-N 2.95Å; D33-L36 PolarHBondContact O-N 3.44Å; D33-I37 WeakPolarHBondContact O-CG1 3.18Å; D33-I37 PolarHBondContact O-N 2.86Å |
| 34 | D | 72.5 | Confident | 66.6 | Low | 114 Ų | 114 | 115.2 Ų | 115.2 | 61% | 0.61 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.7 | -37.7 | 177.4 | -76 | -6.2 | 0 | 0 | 0 | 113.9 | S32 K38 | S32-D34 PolarHBondContact O-N 2.88Å; S32-D34 VanDerWaalsContact O-N 3.09Å; D34-K38 WeakPolarHBondContact O-CG 3.35Å; D34-K38 PolarHBondContact O-N 3.4Å |
| 35 | S | 74.9 | Confident | 68.5 | Low | 45 Ų | 45 | 114 Ų | 114 | 32% | 0.315 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.1 | -36.9 | 176.8 | 28.4 | 0 | 0 | 0 | 0 | 111.8 | V31 S32 D33 K38 M39 | V31-S35 WeakPolarHBondContact CG1-OG 2.95Å; S32-S35 PolarHBondContact N-OG 3.33Å; S32-S35 PolarHBondContact O-N 3.34Å; S32-S35 PolarHBondContact O-OG 3.02Å; D33-S35 PolarHBondContact O-N 2.95Å; S35-K38 PolarHBondContact O-N 3.46Å; S35-M39 VanDerWaalsContact O-CG 3.31Å; S35-M39 WeakPolarHBondContact O-CG 3.38Å; S35-M39 PolarHBondContact O-N 2.93Å |
| 36 | L | 75.1 | Confident | 70.4 | Confident | 57 Ų | 57 | 110.7 Ų | 110.7 | 30% | 0.298 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.3 | -38.9 | 179.5 | -165.5 | 153.3 | 0 | 0 | 0 | 111.3 | S32 D33 M39 R40 | S32-L36 PolarHBondContact O-N 2.63Å; D33-L36 PolarHBondContact O-N 3.44Å; L36-M39 PolarHBondContact O-N 3.45Å; L36-R40 HydrophobicContact CD2-CG 4.19Å; L36-R40 WeakPolarHBondContact O-CG 3.16Å; L36-R40 PolarHBondContact O-N 2.76Å |
| 37 | I | 78.5 | Confident | 72.5 | Confident | 107 Ų | 107 | 111 Ų | 111 | 55% | 0.549 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63 | -43.9 | 174.3 | -66.1 | 165.6 | 0 | 0 | 0 | 110.8 | D33 R40 A41 | D33-I37 WeakPolarHBondContact O-CG1 3.18Å; D33-I37 PolarHBondContact O-N 2.86Å; I37-R40 PolarHBondContact O-N 3.11Å; I37-A41 WeakPolarHBondContact O-CB 3.2Å; I37-A41 PolarHBondContact O-N 2.83Å |
| 38 | K | 82.1 | Confident | 74.7 | Confident | 139 Ų | 139 | 108.5 Ų | 108.5 | 60% | 0.604 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.8 | -44.2 | 176.8 | -73.5 | 174.3 | -176.5 | 177.3 | 0 | 112.4 | D34 S35 A41 Q42 | D34-K38 WeakPolarHBondContact O-CG 3.35Å; D34-K38 PolarHBondContact O-N 3.4Å; S35-K38 PolarHBondContact O-N 3.46Å; K38-A41 PolarHBondContact O-N 2.82Å; K38-Q42 WeakPolarHBondContact O-CG 3.1Å; K38-Q42 PolarHBondContact O-N 2.74Å |
| 39 | M | 78.2 | Confident | 77 | Confident | 80 Ų | 80 | 108.7 Ų | 108.7 | 39% | 0.394 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61 | -46.2 | 176.5 | -72.7 | -66.8 | -61.9 | 0 | 0 | 111.4 | S35 L36 A41 Q42 W43 | S35-M39 VanDerWaalsContact O-CG 3.31Å; S35-M39 WeakPolarHBondContact O-CG 3.38Å; S35-M39 PolarHBondContact O-N 2.93Å; L36-M39 PolarHBondContact O-N 3.45Å; M39-A41 VanDerWaalsContact C-N 3.34Å; M39-A41 PolarHBondContact O-N 2.95Å; M39-Q42 PolarHBondContact O-N 2.76Å; M39-W43 HydrophobicContact CE-CH2 4.44Å; M39-W43 HydrophobicContact CE-CZ2 3.62Å; M39-W43 PolarHBondContact O-N 3.31Å |
| 40 | R | 82 | Confident | 79.2 | Confident | 158 Ų | 158 | 104.9 Ų | 104.9 | 60% | 0.596 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.4 | -43.4 | 175.4 | -77.8 | -175.9 | 175.6 | 154.9 | 1.1 | 112.1 | L36 I37 Q42 W43 T44 | L36-R40 HydrophobicContact CD2-CG 4.19Å; L36-R40 WeakPolarHBondContact O-CG 3.16Å; L36-R40 PolarHBondContact O-N 2.76Å; I37-R40 PolarHBondContact O-N 3.11Å; R40-Q42 VanDerWaalsContact C-N 3.32Å; R40-Q42 PolarHBondContact O-N 2.86Å; R40-W43 PolarHBondContact O-N 2.83Å; R40-T44 WeakPolarHBondContact O-CG2 3.17Å; R40-T44 PolarHBondContact O-N 3.14Å; R40-T44 PolarHBondContact O-OG1 2.89Å |
| 41 | A | 82.6 | Confident | 81.1 | Confident | 55 Ų | 55 | 101.5 Ų | 101.5 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I37 K38 M39 T44 E45 | I37-A41 WeakPolarHBondContact O-CB 3.2Å; I37-A41 PolarHBondContact O-N 2.83Å; K38-A41 PolarHBondContact O-N 2.82Å; M39-A41 VanDerWaalsContact C-N 3.34Å; M39-A41 PolarHBondContact O-N 2.95Å; A41-T44 WeakPolarHBondContact CA-OG1 3.27Å; A41-T44 PolarHBondContact O-N 3.34Å; A41-T44 PolarHBondContact O-OG1 2.83Å; A41-E45 PolarHBondContact O-N 3.43Å; A41-E45 VanDerWaalsContact O-N 3.13Å |
| 42 | Q | 84.5 | Confident | 82.8 | Confident | 109 Ų | 109 | 102.3 Ų | 102.3 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -48.3 | 174.8 | -74.6 | 174.4 | -13.1 | 0 | 0 | 111.4 | K38 M39 R40 T44 E45 E46 | K38-Q42 WeakPolarHBondContact O-CG 3.1Å; K38-Q42 PolarHBondContact O-N 2.74Å; M39-Q42 PolarHBondContact O-N 2.76Å; R40-Q42 VanDerWaalsContact C-N 3.32Å; R40-Q42 PolarHBondContact O-N 2.86Å; Q42-T44 VanDerWaalsContact C-N 3.32Å; Q42-T44 PolarHBondContact O-N 3.29Å; Q42-E45 PolarHBondContact O-N 3.43Å; Q42-E45 VanDerWaalsContact O-N 3.14Å; Q42-E46 PolarHBondContact O-N 3.43Å |
| 43 | W | 85.1 | Confident | 84.4 | Confident | 151 Ų | 151 | 102.9 Ų | 102.9 | 57% | 0.572 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.6 | -34.9 | 177.3 | -66.6 | -24.5 | 0 | 0 | 0 | 113.3 | M39 R40 E45 L47 | M39-W43 HydrophobicContact CE-CH2 4.44Å; M39-W43 HydrophobicContact CE-CZ2 3.62Å; M39-W43 PolarHBondContact O-N 3.31Å; R40-W43 PolarHBondContact O-N 2.83Å; W43-E45 VanDerWaalsContact C-N 3.32Å; W43-L47 WeakPolarHBondContact O-CB 3.2Å; W43-L47 PolarHBondContact O-N 3.29Å |
| 44 | T | 86.6 | Confident | 85.7 | Confident | 91 Ų | 91 | 99.7 Ų | 99.7 | 56% | 0.558 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.6 | -34 | 175.1 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | R40 A41 Q42 K48 | R40-T44 WeakPolarHBondContact O-CG2 3.17Å; R40-T44 PolarHBondContact O-N 3.14Å; R40-T44 PolarHBondContact O-OG1 2.89Å; A41-T44 WeakPolarHBondContact CA-OG1 3.27Å; A41-T44 PolarHBondContact O-N 3.34Å; A41-T44 PolarHBondContact O-OG1 2.83Å; Q42-T44 VanDerWaalsContact C-N 3.32Å; Q42-T44 PolarHBondContact O-N 3.29Å; T44-K48 WeakPolarHBondContact O-CB 3.4Å; T44-K48 PolarHBondContact O-N 3.17Å; T44-K48 VanDerWaalsContact O-N 3.11Å |
| 45 | E | 90.4 | Very high | 86.8 | Confident | 114 Ų | 114 | 100.2 Ų | 100.2 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73.2 | -43.9 | 176 | -170.7 | 63 | -158.7 | 0 | 0 | 111.1 | A41 Q42 W43 L47 K48 Q49 | A41-E45 PolarHBondContact O-N 3.43Å; A41-E45 VanDerWaalsContact O-N 3.13Å; Q42-E45 PolarHBondContact O-N 3.43Å; Q42-E45 VanDerWaalsContact O-N 3.14Å; W43-E45 VanDerWaalsContact C-N 3.32Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-L47 PolarHBondContact O-N 3.39Å; E45-K48 WeakPolarHBondContact O-CB 3.29Å; E45-K48 PolarHBondContact O-N 3.1Å; E45-Q49 PolarHBondContact O-N 3.42Å |
| 46 | E | 88.2 | Confident | 87.7 | Confident | 116 Ų | 116 | 101.8 Ų | 101.8 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 174.2 | -73.4 | -178.6 | -178.3 | 0 | 0 | 111.6 | Q42 K48 Q49 V50 | Q42-E46 PolarHBondContact O-N 3.43Å; E46-K48 VanDerWaalsContact C-N 3.32Å; E46-K48 PolarHBondContact O-N 3.12Å; E46-Q49 PolarHBondContact O-N 3.46Å; E46-V50 WeakPolarHBondContact O-CG2 3.37Å; E46-V50 PolarHBondContact O-N 2.89Å |
| 47 | L | 88.6 | Confident | 88.7 | Confident | 121 Ų | 121 | 103.9 Ų | 103.9 | 63% | 0.634 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.3 | -43.4 | 176.1 | -177 | 64.6 | 0 | 0 | 0 | 111.5 | W43 E45 V50 E51 | W43-L47 WeakPolarHBondContact O-CB 3.2Å; W43-L47 PolarHBondContact O-N 3.29Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-L47 PolarHBondContact O-N 3.39Å; L47-V50 PolarHBondContact O-N 3.34Å; L47-E51 PolarHBondContact O-N 3.22Å |
| 48 | K | 91.4 | Very high | 89.5 | Confident | 116 Ų | 116 | 106 Ų | 106 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 176.9 | -178.2 | -172.1 | 168.9 | -161.9 | 0 | 111.5 | T44 E45 E46 V50 E51 D52 | T44-K48 WeakPolarHBondContact O-CB 3.4Å; T44-K48 PolarHBondContact O-N 3.17Å; T44-K48 VanDerWaalsContact O-N 3.11Å; E45-K48 WeakPolarHBondContact O-CB 3.29Å; E45-K48 PolarHBondContact O-N 3.1Å; E46-K48 VanDerWaalsContact C-N 3.32Å; E46-K48 PolarHBondContact O-N 3.12Å; K48-V50 PolarHBondContact O-N 2.79Å; K48-E51 PolarHBondContact O-N 3.06Å; K48-D52 PolarHBondContact O-N 3.18Å |
| 49 | Q | 93.8 | Very high | 90.1 | Very high | 109 Ų | 109 | 105 Ų | 105 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 176.6 | -177.1 | -174.8 | -11.2 | 0 | 0 | 111.5 | E45 E46 E51 D52 E53 | E45-Q49 PolarHBondContact O-N 3.42Å; E46-Q49 PolarHBondContact O-N 3.46Å; Q49-E51 VanDerWaalsContact C-N 3.33Å; Q49-E51 PolarHBondContact O-N 3.31Å; Q49-D52 PolarHBondContact O-N 2.85Å; Q49-E53 PolarHBondContact NE2-OE1 3.28Å; Q49-E53 WeakPolarHBondContact O-CG 3.3Å; Q49-E53 PolarHBondContact O-N 2.92Å |
| 50 | V | 93 | Very high | 91 | Very high | 74 Ų | 74 | 104.1 Ų | 104.1 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 178.8 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | E46 L47 K48 E53 I54 | E46-V50 WeakPolarHBondContact O-CG2 3.37Å; E46-V50 PolarHBondContact O-N 2.89Å; L47-V50 PolarHBondContact O-N 3.34Å; K48-V50 PolarHBondContact O-N 2.79Å; V50-E53 PolarHBondContact O-N 2.8Å; V50-I54 HydrophobicContact CG1-CD1 3.88Å; V50-I54 HydrophobicContact CG1-CG1 4.42Å; V50-I54 VanDerWaalsContact O-CG1 3.26Å; V50-I54 WeakPolarHBondContact O-CG1 3.36Å; V50-I54 PolarHBondContact O-N 2.94Å |
| 51 | E | 93 | Very high | 91.6 | Very high | 95 Ų | 95 | 102.1 Ų | 102.1 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 176.7 | -166.3 | 63.8 | -138.5 | 0 | 0 | 112 | L47 K48 Q49 E53 I54 Q55 | L47-E51 PolarHBondContact O-N 3.22Å; K48-E51 PolarHBondContact O-N 3.06Å; Q49-E51 VanDerWaalsContact C-N 3.33Å; Q49-E51 PolarHBondContact O-N 3.31Å; E51-E53 VanDerWaalsContact C-N 3.34Å; E51-E53 PolarHBondContact O-N 3.29Å; E51-I54 PolarHBondContact O-N 3.45Å; E51-Q55 PolarHBondContact O-N 2.85Å |
| 52 | D | 93.3 | Very high | 92.1 | Very high | 83 Ų | 83 | 104.3 Ų | 104.3 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 175.3 | -74.1 | -18.1 | 0 | 0 | 0 | 111.7 | K48 Q49 Q55 T56 | K48-D52 PolarHBondContact O-N 3.18Å; Q49-D52 PolarHBondContact O-N 2.85Å; D52-Q55 PolarHBondContact O-N 3.41Å; D52-T56 WeakPolarHBondContact O-CB 3.33Å; D52-T56 PolarHBondContact O-N 3.32Å; D52-T56 PolarHBondContact O-OG1 3.06Å |
| 53 | E | 93.1 | Very high | 92.3 | Very high | 98 Ų | 98 | 102.6 Ų | 102.6 | 46% | 0.458 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 174.4 | -73.4 | 178.7 | -158.1 | 0 | 0 | 111.6 | Q49 V50 E51 Q55 T56 L57 | Q49-E53 PolarHBondContact NE2-OE1 3.28Å; Q49-E53 WeakPolarHBondContact O-CG 3.3Å; Q49-E53 PolarHBondContact O-N 2.92Å; V50-E53 PolarHBondContact O-N 2.8Å; E51-E53 VanDerWaalsContact C-N 3.34Å; E51-E53 PolarHBondContact O-N 3.29Å; E53-Q55 VanDerWaalsContact C-N 3.34Å; E53-Q55 PolarHBondContact O-N 3.47Å; E53-T56 PolarHBondContact O-N 3.09Å; E53-L57 WeakPolarHBondContact O-CB 3.5Å; E53-L57 VanDerWaalsContact O-CG 3.23Å; E53-L57 WeakPolarHBondContact O-CG 3.1Å; E53-L57 PolarHBondContact O-N 3.17Å |
| 54 | I | 93.9 | Very high | 92.8 | Very high | 61 Ų | 61 | 102.2 Ų | 102.2 | 31% | 0.313 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 175.1 | -72.2 | 166.1 | 0 | 0 | 0 | 110.5 | V50 E51 L57 R58 | V50-I54 HydrophobicContact CG1-CD1 3.88Å; V50-I54 HydrophobicContact CG1-CG1 4.42Å; V50-I54 VanDerWaalsContact O-CG1 3.26Å; V50-I54 WeakPolarHBondContact O-CG1 3.36Å; V50-I54 PolarHBondContact O-N 2.94Å; E51-I54 PolarHBondContact O-N 3.45Å; I54-L57 PolarHBondContact O-N 3.16Å; I54-R58 HydrophobicContact CG2-CG 4.49Å; I54-R58 WeakPolarHBondContact O-CB 3.12Å; I54-R58 VanDerWaalsContact O-CG 3.28Å; I54-R58 WeakPolarHBondContact O-CG 3.46Å; I54-R58 PolarHBondContact O-N 3.32Å |
| 55 | Q | 94.6 | Very high | 93 | Very high | 126 Ų | 126 | 103 Ų | 103 | 59% | 0.589 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.6 | -45.8 | 179 | -176.4 | 175 | -10.4 | 0 | 0 | 111.3 | E51 D52 E53 R58 Q59 | E51-Q55 PolarHBondContact O-N 2.85Å; D52-Q55 PolarHBondContact O-N 3.41Å; E53-Q55 VanDerWaalsContact C-N 3.34Å; E53-Q55 PolarHBondContact O-N 3.47Å; Q55-R58 WeakPolarHBondContact O-CB 3.32Å; Q55-R58 PolarHBondContact O-N 3.13Å; Q55-Q59 PolarHBondContact O-N 2.78Å; Q55-Q59 VanDerWaalsContact O-N 3.07Å |
| 56 | T | 94.6 | Very high | 92.9 | Very high | 78 Ų | 78 | 106.4 Ų | 106.4 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -47 | 177 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | D52 E53 R58 Q59 V60 | D52-T56 WeakPolarHBondContact O-CB 3.33Å; D52-T56 PolarHBondContact O-N 3.32Å; D52-T56 PolarHBondContact O-OG1 3.06Å; E53-T56 PolarHBondContact O-N 3.09Å; T56-R58 PolarHBondContact O-N 3.26Å; T56-Q59 WeakPolarHBondContact O-CB 3.12Å; T56-Q59 PolarHBondContact O-N 2.94Å; T56-Q59 VanDerWaalsContact O-N 3.16Å; T56-V60 HydrophobicContact CG2-CG2 4.5Å; T56-V60 WeakPolarHBondContact O-CG2 3.16Å; T56-V60 PolarHBondContact O-N 3.25Å |
| 57 | L | 95.6 | Very high | 92.9 | Very high | 100 Ų | 100 | 109.8 Ų | 109.8 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 178.1 | -73.4 | 174.2 | 0 | 0 | 0 | 111.2 | E53 I54 Q59 V60 L61 | E53-L57 WeakPolarHBondContact O-CB 3.5Å; E53-L57 VanDerWaalsContact O-CG 3.23Å; E53-L57 WeakPolarHBondContact O-CG 3.1Å; E53-L57 PolarHBondContact O-N 3.17Å; I54-L57 PolarHBondContact O-N 3.16Å; L57-Q59 VanDerWaalsContact C-N 3.29Å; L57-Q59 PolarHBondContact O-N 3.1Å; L57-V60 PolarHBondContact O-N 2.95Å; L57-L61 HydrophobicContact CB-CD1 4.31Å; L57-L61 WeakPolarHBondContact O-CB 3.25Å; L57-L61 WeakPolarHBondContact O-CD1 3.41Å; L57-L61 PolarHBondContact O-N 3.41Å |
| 58 | R | 94.9 | Very high | 92.9 | Very high | 151 Ų | 151 | 108.5 Ų | 108.5 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -54.3 | -45.6 | 173.8 | -77.1 | 172 | 174.6 | 159.4 | 2.1 | 111.6 | I54 Q55 T56 L61 L62 | I54-R58 HydrophobicContact CG2-CG 4.49Å; I54-R58 WeakPolarHBondContact O-CB 3.12Å; I54-R58 VanDerWaalsContact O-CG 3.28Å; I54-R58 WeakPolarHBondContact O-CG 3.46Å; I54-R58 PolarHBondContact O-N 3.32Å; Q55-R58 WeakPolarHBondContact O-CB 3.32Å; Q55-R58 PolarHBondContact O-N 3.13Å; T56-R58 PolarHBondContact O-N 3.26Å; R58-L61 PolarHBondContact O-N 3.44Å; R58-L62 WeakPolarHBondContact O-CB 3.42Å; R58-L62 WeakPolarHBondContact O-CG 3.33Å; R58-L62 PolarHBondContact O-N 3.23Å |
| 59 | Q | 94.5 | Very high | 92.6 | Very high | 118 Ų | 118 | 105.8 Ų | 105.8 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.3 | -45.3 | 178.1 | -168.6 | -179.2 | 25 | 0 | 0 | 111.9 | Q55 T56 L57 L61 L62 S63 | Q55-Q59 PolarHBondContact O-N 2.78Å; Q55-Q59 VanDerWaalsContact O-N 3.07Å; T56-Q59 WeakPolarHBondContact O-CB 3.12Å; T56-Q59 PolarHBondContact O-N 2.94Å; T56-Q59 VanDerWaalsContact O-N 3.16Å; L57-Q59 VanDerWaalsContact C-N 3.29Å; L57-Q59 PolarHBondContact O-N 3.1Å; Q59-L61 PolarHBondContact O-N 3.42Å; Q59-L62 PolarHBondContact O-N 3.45Å; Q59-S63 WeakPolarHBondContact O-CB 3.14Å; Q59-S63 PolarHBondContact O-N 3.31Å |
| 60 | V | 96.9 | Very high | 92.1 | Very high | 63 Ų | 63 | 106.7 Ų | 106.7 | 38% | 0.382 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | T56 L57 S63 K64 | T56-V60 HydrophobicContact CG2-CG2 4.5Å; T56-V60 WeakPolarHBondContact O-CG2 3.16Å; T56-V60 PolarHBondContact O-N 3.25Å; L57-V60 PolarHBondContact O-N 2.95Å; V60-S63 WeakPolarHBondContact O-CB 3.4Å; V60-S63 PolarHBondContact O-N 3.45Å; V60-K64 HydrophobicContact CG1-CD 4.14Å; V60-K64 VanDerWaalsContact CG1-CE 3.44Å; V60-K64 WeakPolarHBondContact O-CB 3.27Å; V60-K64 WeakPolarHBondContact O-CG 3.35Å; V60-K64 PolarHBondContact O-N 2.88Å |
| 61 | L | 95.4 | Very high | 91.8 | Very high | 116 Ų | 116 | 107.8 Ų | 107.8 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -47.1 | 176.5 | -90.8 | 130.5 | 0 | 0 | 0 | 111.3 | L57 R58 Q59 S63 K64 F65 | L57-L61 HydrophobicContact CB-CD1 4.31Å; L57-L61 WeakPolarHBondContact O-CB 3.25Å; L57-L61 WeakPolarHBondContact O-CD1 3.41Å; L57-L61 PolarHBondContact O-N 3.41Å; R58-L61 PolarHBondContact O-N 3.44Å; Q59-L61 PolarHBondContact O-N 3.42Å; L61-S63 VanDerWaalsContact C-N 3.35Å; L61-S63 PolarHBondContact O-N 2.89Å; L61-K64 PolarHBondContact O-N 3.11Å; L61-F65 WeakPolarHBondContact O-CB 3.49Å; L61-F65 PolarHBondContact O-N 2.9Å |
| 62 | L | 92.5 | Very high | 91.4 | Very high | 100 Ų | 100 | 106.6 Ų | 106.6 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 176.6 | -72.1 | 174 | 0 | 0 | 0 | 111.9 | R58 Q59 F65 R66 | R58-L62 WeakPolarHBondContact O-CB 3.42Å; R58-L62 WeakPolarHBondContact O-CG 3.33Å; R58-L62 PolarHBondContact O-N 3.23Å; Q59-L62 PolarHBondContact O-N 3.45Å; L62-F65 PolarHBondContact O-N 2.98Å; L62-R66 WeakPolarHBondContact O-CB 3.44Å; L62-R66 WeakPolarHBondContact O-CG 3.49Å; L62-R66 PolarHBondContact O-N 2.88Å |
| 63 | S | 90.1 | Very high | 90.7 | Very high | 74 Ų | 74 | 111.1 Ų | 111.1 | 52% | 0.517 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -47 | 174.2 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | Q59 V60 L61 R66 R67 | Q59-S63 WeakPolarHBondContact O-CB 3.14Å; Q59-S63 PolarHBondContact O-N 3.31Å; V60-S63 WeakPolarHBondContact O-CB 3.4Å; V60-S63 PolarHBondContact O-N 3.45Å; L61-S63 VanDerWaalsContact C-N 3.35Å; L61-S63 PolarHBondContact O-N 2.89Å; S63-R66 PolarHBondContact O-N 3.04Å; S63-R67 PolarHBondContact O-N 3.17Å |
| 64 | K | 94.7 | Very high | 90.1 | Very high | 142 Ų | 142 | 112.8 Ų | 112.8 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 176.1 | -71 | 179 | -169.2 | -68.2 | 0 | 112.2 | V60 L61 R67 Q68 | V60-K64 HydrophobicContact CG1-CD 4.14Å; V60-K64 VanDerWaalsContact CG1-CE 3.44Å; V60-K64 WeakPolarHBondContact O-CB 3.27Å; V60-K64 WeakPolarHBondContact O-CG 3.35Å; V60-K64 PolarHBondContact O-N 2.88Å; L61-K64 PolarHBondContact O-N 3.11Å; K64-R67 PolarHBondContact O-N 2.95Å; K64-Q68 PolarHBondContact O-N 3.01Å |
| 65 | F | 90 | Very high | 89.4 | Confident | 109 Ų | 109 | 115.5 Ų | 115.5 | 48% | 0.478 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 176.1 | -176.4 | -98.3 | 0 | 0 | 0 | 111.2 | L61 L62 R67 Q68 Q69 | L61-F65 WeakPolarHBondContact O-CB 3.49Å; L61-F65 PolarHBondContact O-N 2.9Å; L62-F65 PolarHBondContact O-N 2.98Å; F65-R67 VanDerWaalsContact C-N 3.34Å; F65-R67 PolarHBondContact O-N 3.23Å; F65-Q68 WeakPolarHBondContact O-CB 3.43Å; F65-Q68 PolarHBondContact O-N 3.32Å; F65-Q69 HydrophobicContact CD1-CG 3.98Å; F65-Q69 HydrophobicContact CE1-CG 3.68Å; F65-Q69 HydrophobicContact CE2-CG 4.47Å; F65-Q69 HydrophobicContact CG-CG 4.5Å; F65-Q69 HydrophobicContact CZ-CG 3.96Å; F65-Q69 VanDerWaalsContact O-CG 3.27Å; F65-Q69 WeakPolarHBondContact O-CG 3.27Å; F65-Q69 PolarHBondContact O-N 3.35Å |
| 66 | R | 89.9 | Confident | 88.1 | Confident | 185 Ų | 185 | 112 Ų | 112 | 70% | 0.698 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.7 | -44.1 | 174.4 | -74.4 | 176 | -175.9 | 165.4 | 1.5 | 111.7 | L62 S63 Q69 F70 | L62-R66 WeakPolarHBondContact O-CB 3.44Å; L62-R66 WeakPolarHBondContact O-CG 3.49Å; L62-R66 PolarHBondContact O-N 2.88Å; S63-R66 PolarHBondContact O-N 3.04Å; R66-Q69 PolarHBondContact O-N 2.92Å; R66-F70 WeakPolarHBondContact O-CB 3.46Å; R66-F70 PolarHBondContact O-N 3.16Å |
| 67 | R | 87.6 | Confident | 86.6 | Confident | 187 Ų | 187 | 113.2 Ų | 113.2 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.1 | -42.6 | 175.9 | -175.5 | 173.5 | -179.6 | 153.3 | -1 | 112.2 | S63 K64 F65 F70 L71 | S63-R67 PolarHBondContact O-N 3.17Å; K64-R67 PolarHBondContact O-N 2.95Å; F65-R67 VanDerWaalsContact C-N 3.34Å; F65-R67 PolarHBondContact O-N 3.23Å; R67-F70 PolarHBondContact O-N 2.89Å; R67-L71 WeakPolarHBondContact O-CB 3.34Å; R67-L71 PolarHBondContact O-N 3.46Å |
| 68 | Q | 87.5 | Confident | 85.1 | Confident | 93 Ų | 93 | 111.3 Ų | 111.3 | 44% | 0.435 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 175.3 | -174.8 | -164.6 | -3.1 | 0 | 0 | 111.3 | K64 F65 L71 K72 | K64-Q68 PolarHBondContact O-N 3.01Å; F65-Q68 WeakPolarHBondContact O-CB 3.43Å; F65-Q68 PolarHBondContact O-N 3.32Å; Q68-L71 PolarHBondContact O-N 2.79Å; Q68-K72 HydrophobicContact CG-CD 4.36Å; Q68-K72 VanDerWaalsContact NE2-CE 3.27Å; Q68-K72 VanDerWaalsContact NE2-NZ 3.11Å; Q68-K72 WeakPolarHBondContact O-CB 3.5Å; Q68-K72 WeakPolarHBondContact O-CG 3.34Å; Q68-K72 PolarHBondContact O-N 3.28Å |
| 69 | Q | 85 | Confident | 83.3 | Confident | 60 Ų | 60 | 109.2 Ų | 109.2 | 28% | 0.28 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 178.3 | -68.3 | -63.8 | -25.1 | 0 | 0 | 112 | F65 R66 K72 R73 | F65-Q69 HydrophobicContact CD1-CG 3.98Å; F65-Q69 HydrophobicContact CE1-CG 3.68Å; F65-Q69 HydrophobicContact CE2-CG 4.47Å; F65-Q69 HydrophobicContact CG-CG 4.5Å; F65-Q69 HydrophobicContact CZ-CG 3.96Å; F65-Q69 VanDerWaalsContact O-CG 3.27Å; F65-Q69 WeakPolarHBondContact O-CG 3.27Å; F65-Q69 PolarHBondContact O-N 3.35Å; R66-Q69 PolarHBondContact O-N 2.92Å; Q69-K72 PolarHBondContact O-N 3.28Å; Q69-R73 WeakPolarHBondContact O-CG 3.5Å; Q69-R73 PolarHBondContact O-N 3.42Å |
| 70 | F | 85.2 | Confident | 81.9 | Confident | 127 Ų | 127 | 108.9 Ų | 108.9 | 56% | 0.557 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60 | -50.1 | 172.7 | 176.7 | -101 | 0 | 0 | 0 | 111.1 | R66 R67 K72 R73 Q74 | R66-F70 WeakPolarHBondContact O-CB 3.46Å; R66-F70 PolarHBondContact O-N 3.16Å; R67-F70 PolarHBondContact O-N 2.89Å; F70-K72 VanDerWaalsContact C-N 3.35Å; F70-K72 PolarHBondContact O-N 2.9Å; F70-R73 WeakPolarHBondContact O-CB 3.24Å; F70-R73 PolarHBondContact O-N 3.31Å; F70-R73 VanDerWaalsContact O-N 3.17Å; F70-Q74 HydrophobicContact CD1-CG 4.12Å; F70-Q74 HydrophobicContact CD2-CG 4.46Å; F70-Q74 HydrophobicContact CE1-CG 3.73Å; F70-Q74 HydrophobicContact CE2-CG 4.11Å; F70-Q74 HydrophobicContact CG-CG 4.47Å; F70-Q74 HydrophobicContact CZ-CG 3.73Å; F70-Q74 WeakPolarHBondContact O-CG 3.25Å; F70-Q74 PolarHBondContact O-N 2.83Å |
| 71 | L | 86.5 | Confident | 80.2 | Confident | 97 Ų | 97 | 111.3 Ų | 111.3 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63 | -39 | 179.2 | -170.9 | 60.8 | 0 | 0 | 0 | 112.3 | R67 Q68 R73 Q74 L75 | R67-L71 WeakPolarHBondContact O-CB 3.34Å; R67-L71 PolarHBondContact O-N 3.46Å; Q68-L71 PolarHBondContact O-N 2.79Å; L71-R73 PolarHBondContact O-N 3.36Å; L71-Q74 PolarHBondContact O-N 3.39Å; L71-L75 HydrophobicContact CD1-CD1 4.17Å; L71-L75 HydrophobicContact CD1-CG 4.31Å; L71-L75 HydrophobicContact CG-CD1 3.84Å; L71-L75 HydrophobicContact CG-CG 4.41Å; L71-L75 WeakPolarHBondContact O-CB 3.32Å; L71-L75 VanDerWaalsContact O-CG 3.3Å; L71-L75 WeakPolarHBondContact O-CG 3.42Å; L71-L75 PolarHBondContact O-N 3.05Å |
| 72 | K | 83 | Confident | 78.3 | Confident | 71 Ų | 71 | 112.5 Ų | 112.5 | 31% | 0.309 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58 | -44.8 | 172.9 | -79 | 176.9 | 172.3 | -179.1 | 0 | 111.9 | Q68 Q69 F70 L75 G76 I77 | Q68-K72 HydrophobicContact CG-CD 4.36Å; Q68-K72 VanDerWaalsContact NE2-CE 3.27Å; Q68-K72 VanDerWaalsContact NE2-NZ 3.11Å; Q68-K72 WeakPolarHBondContact O-CB 3.5Å; Q68-K72 WeakPolarHBondContact O-CG 3.34Å; Q68-K72 PolarHBondContact O-N 3.28Å; Q69-K72 PolarHBondContact O-N 3.28Å; F70-K72 VanDerWaalsContact C-N 3.35Å; F70-K72 PolarHBondContact O-N 2.9Å; K72-L75 PolarHBondContact O-N 2.69Å; K72-G76 PolarHBondContact O-N 3.41Å; K72-I77 HydrophobicContact CB-CB 4.23Å; K72-I77 HydrophobicContact CG-CB 4.46Å; K72-I77 CarbonylContact O-C 3.51Å; K72-I77 WeakPolarHBondContact O-CA 3.34Å; K72-I77 WeakPolarHBondContact O-CB 3.49Å; K72-I77 PolarHBondContact O-N 3.36Å |
| 73 | R | 78.7 | Confident | 76.8 | Confident | 178 Ų | 178 | 112.7 Ų | 112.7 | 67% | 0.672 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 175.7 | -69.7 | 174.6 | -176.7 | -165.9 | 0.8 | 112.1 | Q69 F70 L71 L75 G76 | Q69-R73 WeakPolarHBondContact O-CG 3.5Å; Q69-R73 PolarHBondContact O-N 3.42Å; F70-R73 WeakPolarHBondContact O-CB 3.24Å; F70-R73 PolarHBondContact O-N 3.31Å; F70-R73 VanDerWaalsContact O-N 3.17Å; L71-R73 PolarHBondContact O-N 3.36Å; R73-L75 VanDerWaalsContact C-N 3.3Å; R73-L75 PolarHBondContact O-N 2.85Å; R73-G76 PolarHBondContact O-N 2.93Å; R73-G76 VanDerWaalsContact O-N 3.12Å |
| 74 | Q | 80.3 | Confident | 75.4 | Confident | 133 Ų | 133 | 114.3 Ų | 114.3 | 62% | 0.621 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.5 | -34.7 | 178.3 | -66.5 | -62.3 | 89.9 | 0 | 0 | 112.5 | F70 L71 G76 | F70-Q74 HydrophobicContact CD1-CG 4.12Å; F70-Q74 HydrophobicContact CD2-CG 4.46Å; F70-Q74 HydrophobicContact CE1-CG 3.73Å; F70-Q74 HydrophobicContact CE2-CG 4.11Å; F70-Q74 HydrophobicContact CG-CG 4.47Å; F70-Q74 HydrophobicContact CZ-CG 3.73Å; F70-Q74 WeakPolarHBondContact O-CG 3.25Å; F70-Q74 PolarHBondContact O-N 2.83Å; L71-Q74 PolarHBondContact O-N 3.39Å; Q74-G76 PolarHBondContact O-N 2.9Å |
| 75 | L | 79.9 | Confident | 74 | Confident | 117 Ų | 117 | 110.4 Ų | 110.4 | 61% | 0.613 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 2.5 | 176.3 | -69.4 | 169.3 | 0 | 0 | 0 | 113.5 | L71 K72 R73 I77 | L71-L75 HydrophobicContact CD1-CD1 4.17Å; L71-L75 HydrophobicContact CD1-CG 4.31Å; L71-L75 HydrophobicContact CG-CD1 3.84Å; L71-L75 HydrophobicContact CG-CG 4.41Å; L71-L75 WeakPolarHBondContact O-CB 3.32Å; L71-L75 VanDerWaalsContact O-CG 3.3Å; L71-L75 WeakPolarHBondContact O-CG 3.42Å; L71-L75 PolarHBondContact O-N 3.05Å; K72-L75 PolarHBondContact O-N 2.69Å; R73-L75 VanDerWaalsContact C-N 3.3Å; R73-L75 PolarHBondContact O-N 2.85Å; L75-I77 HydrophobicContact CB-CD1 4.27Å; L75-I77 HydrophobicContact CB-CG1 4.2Å; L75-I77 PolarHBondContact O-N 3.47Å |
| 76 | G | 66.9 | Low | 72.7 | Confident | 52 Ų | 52 | 110.7 Ų | 110.7 | 54% | 0.536 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 9.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K72 R73 Q74 T78 | K72-G76 PolarHBondContact O-N 3.41Å; R73-G76 PolarHBondContact O-N 2.93Å; R73-G76 VanDerWaalsContact O-N 3.12Å; Q74-G76 PolarHBondContact O-N 2.9Å; G76-T78 PolarHBondContact O-N 2.92Å |
| 77 | I | 63.5 | Low | 71.5 | Confident | 104 Ų | 104 | 106.1 Ų | 106.1 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | trans | -77.2 | 67 | 169.6 | -50 | 172.1 | 0 | 0 | 0 | 107.2 | K72 L75 | K72-I77 HydrophobicContact CB-CB 4.23Å; K72-I77 HydrophobicContact CG-CB 4.46Å; K72-I77 CarbonylContact O-C 3.51Å; K72-I77 WeakPolarHBondContact O-CA 3.34Å; K72-I77 WeakPolarHBondContact O-CB 3.49Å; K72-I77 PolarHBondContact O-N 3.36Å; L75-I77 HydrophobicContact CB-CD1 4.27Å; L75-I77 HydrophobicContact CB-CG1 4.2Å; L75-I77 PolarHBondContact O-N 3.47Å | ||
| 78 | T | 63.3 | Low | 70.5 | Confident | 60 Ų | 60 | 103 Ų | 103 | 37% | 0.368 | 52% | 0.52 | S | S | . | . | trans | -92.2 | 123 | 174.3 | -56.8 | 0 | 0 | 0 | 0 | 107.3 | G76 I80 E81 | G76-T78 PolarHBondContact O-N 2.92Å; T78-I80 HydrophobicContact CG2-CB 3.98Å; T78-I80 HydrophobicContact CG2-CD1 4.29Å; T78-I80 HydrophobicContact CG2-CG1 4.23Å; T78-I80 PolarHBondContact O-N 3.49Å; T78-E81 PolarHBondContact O-N 3.38Å | ||
| 79 | P | 58.8 | Low | 69.6 | Low | 107 Ų | 107 | 104.7 Ų | 104.7 | 70% | 0.695 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.9 | 4.1 | -179.7 | 23.3 | -32.3 | 0 | 0 | 0 | 114.8 | ||
| 80 | I | 64 | Low | 68.7 | Low | 111 Ų | 111 | 103.2 Ų | 103.2 | 57% | 0.569 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -102.5 | -23.4 | -174.9 | -61.3 | 169.1 | 0 | 0 | 0 | 111.9 | T78 K84 | T78-I80 HydrophobicContact CG2-CB 3.98Å; T78-I80 HydrophobicContact CG2-CD1 4.29Å; T78-I80 HydrophobicContact CG2-CG1 4.23Å; T78-I80 PolarHBondContact O-N 3.49Å; I80-K84 WeakPolarHBondContact O-CB 3.18Å; I80-K84 PolarHBondContact O-N 2.86Å; I80-K84 VanDerWaalsContact O-N 3.09Å |
| 81 | E | 61.1 | Low | 68 | Low | 115 Ų | 115 | 102.6 Ų | 102.6 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -74.9 | -32.2 | -175.8 | -155.7 | 61.2 | -151.5 | 0 | 0 | 112 | T78 K84 S85 | T78-E81 PolarHBondContact O-N 3.38Å; E81-K84 IonicContact OE1-NZ 3.6Å; E81-S85 PolarHBondContact O-N 2.78Å; E81-S85 VanDerWaalsContact O-N 3.14Å |
| 82 | E | 55.3 | Low | 67.2 | Low | 140 Ų | 140 | 102.4 Ų | 102.4 | 65% | 0.654 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.2 | -49.7 | 171.8 | -81 | 175 | 171.2 | 0 | 0 | 111.7 | K84 S85 E86 | E82-K84 VanDerWaalsContact C-N 3.25Å; E82-K84 PolarHBondContact O-N 3.34Å; E82-S85 PolarHBondContact O-N 3.3Å; E82-S85 PolarHBondContact O-OG 3.38Å; E82-E86 WeakPolarHBondContact O-CB 3.16Å; E82-E86 WeakPolarHBondContact O-CG 3.33Å; E82-E86 PolarHBondContact O-N 2.84Å |
| 83 | L | 61.3 | Low | 66.1 | Low | 105 Ų | 105 | 102.6 Ų | 102.6 | 55% | 0.55 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.3 | -37.4 | 177.6 | -178.1 | 64.7 | 0 | 0 | 0 | 112.3 | V87 | L83-V87 HydrophobicContact CD1-CG2 3.92Å; L83-V87 HydrophobicContact CG-CG2 4.31Å; L83-V87 VanDerWaalsContact O-CB 3.25Å; L83-V87 WeakPolarHBondContact O-CB 3.48Å; L83-V87 WeakPolarHBondContact O-CG2 3.25Å; L83-V87 PolarHBondContact O-N 3.45Å |
| 84 | K | 62 | Low | 65.1 | Low | 107 Ų | 107 | 98.6 Ų | 98.6 | 47% | 0.465 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.1 | -38.7 | 178 | -174.9 | -178.5 | 169.1 | -159 | 0 | 111.8 | I80 E81 E82 K88 | I80-K84 WeakPolarHBondContact O-CB 3.18Å; I80-K84 PolarHBondContact O-N 2.86Å; I80-K84 VanDerWaalsContact O-N 3.09Å; E81-K84 IonicContact OE1-NZ 3.6Å; E82-K84 VanDerWaalsContact C-N 3.25Å; E82-K84 PolarHBondContact O-N 3.34Å; K84-K88 HydrophobicContact CG-CD 4.36Å; K84-K88 VanDerWaalsContact O-CB 3.29Å; K84-K88 WeakPolarHBondContact O-CB 3.32Å; K84-K88 WeakPolarHBondContact O-CD 3.3Å; K84-K88 WeakPolarHBondContact O-CG 3.31Å; K84-K88 PolarHBondContact O-N 2.81Å; K84-K88 VanDerWaalsContact O-N 3.11Å |
| 85 | S | 64.2 | Low | 64 | Low | 60 Ų | 60 | 102.5 Ų | 102.5 | 42% | 0.42 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.5 | -41.8 | 176 | 83 | 0 | 0 | 0 | 0 | 111.8 | E81 E82 K88 Q89 | E81-S85 PolarHBondContact O-N 2.78Å; E81-S85 VanDerWaalsContact O-N 3.14Å; E82-S85 PolarHBondContact O-N 3.3Å; E82-S85 PolarHBondContact O-OG 3.38Å; S85-K88 PolarHBondContact O-N 3.15Å; S85-Q89 WeakPolarHBondContact O-CB 3.34Å; S85-Q89 PolarHBondContact O-N 2.93Å |
| 86 | E | 62.2 | Low | 62.9 | Low | 116 Ų | 116 | 102.3 Ų | 102.3 | 54% | 0.542 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.1 | -35.8 | -179.9 | -71.6 | 175.2 | -173.3 | 0 | 0 | 112.4 | E82 G90 | E82-E86 WeakPolarHBondContact O-CB 3.16Å; E82-E86 WeakPolarHBondContact O-CG 3.33Å; E82-E86 PolarHBondContact O-N 2.84Å; E86-G90 WeakPolarHBondContact O-CA 3.38Å; E86-G90 PolarHBondContact O-N 3.23Å |
| 87 | V | 64.8 | Low | 62.2 | Low | 89 Ų | 89 | 102.2 Ų | 102.2 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.6 | -38.7 | 172.7 | 171.8 | 0 | 0 | 0 | 0 | 111 | L83 L91 | L83-V87 HydrophobicContact CD1-CG2 3.92Å; L83-V87 HydrophobicContact CG-CG2 4.31Å; L83-V87 VanDerWaalsContact O-CB 3.25Å; L83-V87 WeakPolarHBondContact O-CB 3.48Å; L83-V87 WeakPolarHBondContact O-CG2 3.25Å; L83-V87 PolarHBondContact O-N 3.45Å; V87-L91 WeakPolarHBondContact O-CB 3.46Å; V87-L91 PolarHBondContact O-N 3.42Å |
| 88 | K | 66.5 | Low | 61.7 | Low | 121 Ų | 121 | 102.7 Ų | 102.7 | 53% | 0.526 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -48.5 | 173.5 | -79.9 | 172 | 174.8 | -73.4 | 0 | 111 | K84 S85 L91 D92 | K84-K88 HydrophobicContact CG-CD 4.36Å; K84-K88 VanDerWaalsContact O-CB 3.29Å; K84-K88 WeakPolarHBondContact O-CB 3.32Å; K84-K88 WeakPolarHBondContact O-CD 3.3Å; K84-K88 WeakPolarHBondContact O-CG 3.31Å; K84-K88 PolarHBondContact O-N 2.81Å; K84-K88 VanDerWaalsContact O-N 3.11Å; S85-K88 PolarHBondContact O-N 3.15Å; K88-L91 PolarHBondContact O-N 2.98Å; K88-D92 VanDerWaalsContact O-CB 3.32Å; K88-D92 WeakPolarHBondContact O-CB 3.27Å; K88-D92 PolarHBondContact O-N 3.37Å |
| 89 | Q | 69.3 | Low | 61.2 | Low | 128 Ų | 128 | 102.9 Ų | 102.9 | 60% | 0.598 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.3 | -40.3 | 178.1 | -170.5 | 174.4 | 17.2 | 0 | 0 | 111.5 | S85 D92 T93 | S85-Q89 WeakPolarHBondContact O-CB 3.34Å; S85-Q89 PolarHBondContact O-N 2.93Å; Q89-D92 PolarHBondContact O-N 2.92Å; Q89-T93 WeakPolarHBondContact O-CB 3.22Å; Q89-T93 PolarHBondContact O-N 2.93Å; Q89-T93 PolarHBondContact O-OG1 3.21Å |
| 90 | G | 66.3 | Low | 60.6 | Low | 30 Ų | 30 | 104.5 Ų | 104.5 | 31% | 0.309 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E86 T93 L94 | E86-G90 WeakPolarHBondContact O-CA 3.38Å; E86-G90 PolarHBondContact O-N 3.23Å; G90-T93 PolarHBondContact O-N 2.93Å; G90-L94 WeakPolarHBondContact O-CB 3.32Å; G90-L94 WeakPolarHBondContact O-CG 3.47Å; G90-L94 PolarHBondContact O-N 2.99Å |
| 91 | L | 69.8 | Low | 60.1 | Low | 114 Ų | 114 | 104.6 Ų | 104.6 | 60% | 0.597 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.8 | -42.9 | 173.8 | -177.8 | 63 | 0 | 0 | 0 | 111.6 | V87 K88 L94 R95 | V87-L91 WeakPolarHBondContact O-CB 3.46Å; V87-L91 PolarHBondContact O-N 3.42Å; K88-L91 PolarHBondContact O-N 2.98Å; L91-L94 PolarHBondContact O-N 3.31Å; L91-R95 WeakPolarHBondContact O-CB 3.39Å; L91-R95 PolarHBondContact O-N 2.8Å |
| 92 | D | 69.7 | Low | 59.7 | Low | 92 Ų | 92 | 107.1 Ų | 107.1 | 49% | 0.492 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67 | -38 | 176.7 | -71.3 | -26.1 | 0 | 0 | 0 | 111.2 | K88 Q89 R95 T96 | K88-D92 VanDerWaalsContact O-CB 3.32Å; K88-D92 WeakPolarHBondContact O-CB 3.27Å; K88-D92 PolarHBondContact O-N 3.37Å; Q89-D92 PolarHBondContact O-N 2.92Å; D92-R95 PolarHBondContact O-N 3.34Å; D92-T96 WeakPolarHBondContact O-CB 3.08Å; D92-T96 VanDerWaalsContact O-CG2 3.31Å; D92-T96 WeakPolarHBondContact O-CG2 3.15Å; D92-T96 PolarHBondContact O-N 3.46Å; D92-T96 PolarHBondContact O-OG1 3.48Å |
| 93 | T | 61.1 | Low | 59.6 | Low | 76 Ų | 76 | 104.8 Ų | 104.8 | 47% | 0.466 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.4 | -35.8 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | Q89 G90 R95 S97 | Q89-T93 WeakPolarHBondContact O-CB 3.22Å; Q89-T93 PolarHBondContact O-N 2.93Å; Q89-T93 PolarHBondContact O-OG1 3.21Å; G90-T93 PolarHBondContact O-N 2.93Å; T93-R95 VanDerWaalsContact C-N 3.35Å; T93-S97 WeakPolarHBondContact O-CB 3.49Å; T93-S97 PolarHBondContact O-N 3.13Å |
| 94 | L | 56.2 | Low | 59.1 | Low | 94 Ų | 94 | 101 Ų | 101 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -73.6 | -26.8 | 172.6 | -70 | 168.6 | 0 | 0 | 0 | 112.7 | G90 L91 Y100 | G90-L94 WeakPolarHBondContact O-CB 3.32Å; G90-L94 WeakPolarHBondContact O-CG 3.47Å; G90-L94 PolarHBondContact O-N 2.99Å; L91-L94 PolarHBondContact O-N 3.31Å; L94-Y100 HydrophobicContact CB-CD2 4.31Å; L94-Y100 HydrophobicContact CD2-CD2 3.73Å; L94-Y100 HydrophobicContact CD2-CE2 4.09Å; L94-Y100 VanDerWaalsContact O-CB 3.27Å; L94-Y100 WeakPolarHBondContact O-CB 3.42Å |
| 95 | R | 58.1 | Low | 58.7 | Low | 214 Ų | 214 | 98.6 Ų | 98.6 | 81% | 0.808 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -78.3 | -28.7 | 175.3 | -175.3 | 179.8 | 174.4 | 113 | 1 | 112.8 | L91 D92 T93 | L91-R95 WeakPolarHBondContact O-CB 3.39Å; L91-R95 PolarHBondContact O-N 2.8Å; D92-R95 PolarHBondContact O-N 3.34Å; T93-R95 VanDerWaalsContact C-N 3.35Å |
| 96 | T | 57.2 | Low | 58.3 | Low | 114 Ų | 114 | 101 Ų | 101 | 70% | 0.699 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -105.3 | -15.4 | -176.2 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | D92 | D92-T96 WeakPolarHBondContact O-CB 3.08Å; D92-T96 VanDerWaalsContact O-CG2 3.31Å; D92-T96 WeakPolarHBondContact O-CG2 3.15Å; D92-T96 PolarHBondContact O-N 3.46Å; D92-T96 PolarHBondContact O-OG1 3.48Å |
| 97 | S | 51.4 | Low | 57.8 | Low | 49 Ų | 49 | 99.5 Ų | 99.5 | 34% | 0.343 | 54% | 0.537 | S | S | . | . | trans | -82.4 | 120.3 | 176.6 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | T93 A99 Y100 | T93-S97 WeakPolarHBondContact O-CB 3.49Å; T93-S97 PolarHBondContact O-N 3.13Å; S97-A99 PolarHBondContact O-N 3.41Å; S97-A99 WeakPolarHBondContact OG-CB 3.23Å; S97-A99 PolarHBondContact OG-N 2.8Å; S97-Y100 PolarHBondContact O-N 2.94Å | ||
| 98 | D | 54.1 | Low | 57.2 | Low | 115 Ų | 115 | 101.3 Ų | 101.3 | 62% | 0.615 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -52.7 | -16 | 170.1 | -86.1 | -36.1 | 0 | 0 | 0 | 114.1 | Y100 L101 K102 | D98-Y100 VanDerWaalsContact C-N 3.3Å; D98-Y100 PolarHBondContact O-N 3.18Å; D98-L101 PolarHBondContact O-N 2.89Å; D98-K102 PolarHBondContact O-N 3.34Å |
| 99 | A | 51.4 | Low | 56.7 | Low | 64 Ų | 64 | 101 Ų | 101 | 53% | 0.529 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68 | -26.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S97 T103 | S97-A99 PolarHBondContact O-N 3.41Å; S97-A99 WeakPolarHBondContact OG-CB 3.23Å; S97-A99 PolarHBondContact OG-N 2.8Å; A99-T103 PolarHBondContact O-N 2.83Å; A99-T103 PolarHBondContact O-OG1 2.84Å |
| 100 | Y | 45.9 | Very low | 55.8 | Low | 140 Ų | 140 | 97.4 Ų | 97.4 | 55% | 0.549 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -77.7 | -32.6 | 174.4 | -150.6 | -101.7 | 0 | 0 | 0 | 111.7 | L94 S97 D98 S104 | L94-Y100 HydrophobicContact CB-CD2 4.31Å; L94-Y100 HydrophobicContact CD2-CD2 3.73Å; L94-Y100 HydrophobicContact CD2-CE2 4.09Å; L94-Y100 VanDerWaalsContact O-CB 3.27Å; L94-Y100 WeakPolarHBondContact O-CB 3.42Å; S97-Y100 PolarHBondContact O-N 2.94Å; D98-Y100 VanDerWaalsContact C-N 3.3Å; D98-Y100 PolarHBondContact O-N 3.18Å; Y100-S104 WeakPolarHBondContact O-CB 3.33Å; Y100-S104 PolarHBondContact O-N 3.16Å; Y100-S104 PolarHBondContact O-OG 3.36Å |
| 101 | L | 54.1 | Low | 55.2 | Low | 114 Ų | 114 | 102 Ų | 102 | 60% | 0.597 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.5 | -43.5 | 176.7 | -83 | 163 | 0 | 0 | 0 | 111.8 | D98 S104 A105 | D98-L101 PolarHBondContact O-N 2.89Å; L101-S104 PolarHBondContact O-OG 3.45Å; L101-A105 PolarHBondContact O-N 3.07Å |
| 102 | K | 53 | Low | 54.5 | Low | 168 Ų | 168 | 102.4 Ų | 102.4 | 73% | 0.73 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.8 | -32.9 | -178.8 | -65.5 | -176.9 | -178.5 | -175.3 | 0 | 113.5 | D98 | D98-K102 PolarHBondContact O-N 3.34Å |
| 103 | T | 52.7 | Low | 53.8 | Low | 91 Ų | 91 | 106.2 Ų | 106.2 | 56% | 0.558 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -83.2 | -27.3 | 176 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | A99 A105 V106 V107 | A99-T103 PolarHBondContact O-N 2.83Å; A99-T103 PolarHBondContact O-OG1 2.84Å; T103-A105 PolarHBondContact O-N 3.03Å; T103-V106 PolarHBondContact O-N 3Å; T103-V107 PolarHBondContact O-N 3Å; T103-V107 VanDerWaalsContact O-N 3.13Å |
| 104 | S | 50.6 | Low | 53.6 | Low | 24 Ų | 24 | 107.2 Ų | 107.2 | 17% | 0.168 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -66 | -23.7 | 173.3 | 79.5 | 0 | 0 | 0 | 0 | 113.4 | Y100 L101 V106 K108 | Y100-S104 WeakPolarHBondContact O-CB 3.33Å; Y100-S104 PolarHBondContact O-N 3.16Å; Y100-S104 PolarHBondContact O-OG 3.36Å; L101-S104 PolarHBondContact O-OG 3.45Å; S104-V106 VanDerWaalsContact C-N 3.34Å; S104-K108 WeakPolarHBondContact O-CB 3.28Å; S104-K108 WeakPolarHBondContact O-CD 3.32Å; S104-K108 WeakPolarHBondContact O-CG 3.49Å; S104-K108 PolarHBondContact O-N 2.94Å |
| 105 | A | 54.5 | Low | 53.6 | Low | 57 Ų | 57 | 105 Ų | 105 | 47% | 0.471 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.6 | -36.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L101 T103 T109 | L101-A105 PolarHBondContact O-N 3.07Å; T103-A105 PolarHBondContact O-N 3.03Å; A105-T109 PolarHBondContact O-OG1 3.27Å |
| 106 | V | 54.6 | Low | 53.8 | Low | 112 Ų | 112 | 97.2 Ų | 97.2 | 68% | 0.679 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -84.5 | -33.6 | 178.3 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | T103 S104 | T103-V106 PolarHBondContact O-N 3Å; S104-V106 VanDerWaalsContact C-N 3.34Å |
| 107 | V | 52.9 | Low | 54.2 | Low | 84 Ų | 84 | 96.4 Ų | 96.4 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.9 | -34.1 | 173.7 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | T103 T109 A110 K111 | T103-V107 PolarHBondContact O-N 3Å; T103-V107 VanDerWaalsContact O-N 3.13Å; V107-T109 VanDerWaalsContact C-N 3.34Å; V107-T109 PolarHBondContact O-N 2.96Å; V107-A110 PolarHBondContact O-N 3.24Å; V107-K111 WeakPolarHBondContact O-CB 3.5Å; V107-K111 PolarHBondContact O-N 3.19Å |
| 108 | K | 52.7 | Low | 55.2 | Low | 126 Ų | 126 | 100.8 Ų | 100.8 | 55% | 0.548 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.4 | -39 | 175.8 | -82.9 | 172.3 | 179.5 | -179.3 | 0 | 112 | S104 A110 K111 | S104-K108 WeakPolarHBondContact O-CB 3.28Å; S104-K108 WeakPolarHBondContact O-CD 3.32Å; S104-K108 WeakPolarHBondContact O-CG 3.49Å; S104-K108 PolarHBondContact O-N 2.94Å; K108-A110 VanDerWaalsContact C-N 3.31Å; K108-A110 PolarHBondContact O-N 2.97Å; K108-K111 PolarHBondContact O-N 2.82Å |
| 109 | T | 55 | Low | 56 | Low | 114 Ų | 114 | 100 Ų | 100 | 70% | 0.699 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.9 | -24.4 | 178.1 | -51 | 0 | 0 | 0 | 0 | 113.3 | A105 V107 | A105-T109 PolarHBondContact O-OG1 3.27Å; V107-T109 VanDerWaalsContact C-N 3.34Å; V107-T109 PolarHBondContact O-N 2.96Å |
| 110 | A | 51.4 | Low | 57.2 | Low | 54 Ų | 54 | 102.5 Ų | 102.5 | 45% | 0.446 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -92.6 | -26.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V107 K108 D112 T114 | V107-A110 PolarHBondContact O-N 3.24Å; K108-A110 VanDerWaalsContact C-N 3.31Å; K108-A110 PolarHBondContact O-N 2.97Å; A110-D112 VanDerWaalsContact C-N 3.34Å; A110-D112 PolarHBondContact O-N 3.24Å; A110-T114 PolarHBondContact O-N 3.42Å; A110-T114 PolarHBondContact O-OG1 2.9Å |
| 111 | K | 52.4 | Low | 58.8 | Low | 125 Ų | 125 | 103 Ų | 103 | 54% | 0.543 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.9 | -41.1 | -180 | 179.6 | 174.2 | 175.1 | 174.4 | 0 | 111.7 | V107 K108 K113 S115 | V107-K111 WeakPolarHBondContact O-CB 3.5Å; V107-K111 PolarHBondContact O-N 3.19Å; K108-K111 PolarHBondContact O-N 2.82Å; K111-K113 PolarHBondContact O-N 3.37Å; K111-K113 VanDerWaalsContact O-N 3.17Å; K111-S115 VanDerWaalsContact O-CB 3.27Å; K111-S115 WeakPolarHBondContact O-CB 3.45Å; K111-S115 PolarHBondContact O-N 3.2Å; K111-S115 PolarHBondContact O-OG 3.43Å |
| 112 | D | 55.9 | Low | 60 | Low | 124 Ų | 124 | 104.2 Ų | 104.2 | 66% | 0.663 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.5 | -12 | -171.2 | -64.3 | -19.2 | 0 | 0 | 0 | 114.5 | A110 | A110-D112 VanDerWaalsContact C-N 3.34Å; A110-D112 PolarHBondContact O-N 3.24Å |
| 113 | K | 54.5 | Low | 61.2 | Low | 172 Ų | 172 | 99.1 Ų | 99.1 | 75% | 0.748 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -112.4 | -29 | 175.6 | -65.4 | -175.7 | -179.8 | -178.3 | 0 | 113.4 | K111 V117 | K111-K113 PolarHBondContact O-N 3.37Å; K111-K113 VanDerWaalsContact O-N 3.17Å; K113-V117 WeakPolarHBondContact O-CG2 3.37Å |
| 114 | T | 56.4 | Low | 62.3 | Low | 97 Ų | 97 | 100.2 Ų | 100.2 | 60% | 0.595 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -92.2 | -28.1 | -177.4 | -52 | 0 | 0 | 0 | 0 | 112.8 | A110 V117 F118 | A110-T114 PolarHBondContact O-N 3.42Å; A110-T114 PolarHBondContact O-OG1 2.9Å; T114-V117 PolarHBondContact O-N 3.02Å; T114-F118 PolarHBondContact O-N 3.09Å; T114-F118 VanDerWaalsContact O-N 3.16Å |
| 115 | S | 57.1 | Low | 63.4 | Low | 47 Ų | 47 | 102.3 Ų | 102.3 | 33% | 0.329 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71 | -34.7 | 178.1 | 72.8 | 0 | 0 | 0 | 0 | 112.7 | K111 F118 I119 | K111-S115 VanDerWaalsContact O-CB 3.27Å; K111-S115 WeakPolarHBondContact O-CB 3.45Å; K111-S115 PolarHBondContact O-N 3.2Å; K111-S115 PolarHBondContact O-OG 3.43Å; S115-F118 PolarHBondContact O-N 3.12Å; S115-I119 WeakPolarHBondContact O-CB 3.44Å; S115-I119 VanDerWaalsContact O-CG1 3.24Å; S115-I119 WeakPolarHBondContact O-CG1 3.4Å; S115-I119 PolarHBondContact O-N 2.93Å |
| 116 | A | 61.5 | Low | 64 | Low | 50 Ų | 50 | 107 Ų | 107 | 41% | 0.413 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | F118 I119 E120 | A116-F118 VanDerWaalsContact C-N 3.33Å; A116-F118 PolarHBondContact O-N 3.04Å; A116-I119 PolarHBondContact O-N 2.9Å; A116-E120 WeakPolarHBondContact O-CB 3.15Å; A116-E120 VanDerWaalsContact O-CG 3.25Å; A116-E120 WeakPolarHBondContact O-CG 3.02Å; A116-E120 PolarHBondContact O-N 3.18Å |
| 117 | V | 66.1 | Low | 64.7 | Low | 97 Ų | 97 | 108.2 Ų | 108.2 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.1 | -38.2 | 177.8 | 180 | 0 | 0 | 0 | 0 | 111.7 | K113 T114 K121 | K113-V117 WeakPolarHBondContact O-CG2 3.37Å; T114-V117 PolarHBondContact O-N 3.02Å; V117-K121 WeakPolarHBondContact O-CB 2.99Å; V117-K121 PolarHBondContact O-N 2.82Å |
| 118 | F | 71.4 | Confident | 65.3 | Low | 141 Ų | 141 | 106.7 Ų | 106.7 | 62% | 0.618 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.7 | -44.5 | 176 | -175.3 | -97.7 | 0 | 0 | 0 | 112.2 | T114 S115 A116 K121 W122 | T114-F118 PolarHBondContact O-N 3.09Å; T114-F118 VanDerWaalsContact O-N 3.16Å; S115-F118 PolarHBondContact O-N 3.12Å; A116-F118 VanDerWaalsContact C-N 3.33Å; A116-F118 PolarHBondContact O-N 3.04Å; F118-K121 PolarHBondContact O-N 3.46Å; F118-W122 VanDerWaalsContact O-CB 3.25Å; F118-W122 WeakPolarHBondContact O-CB 3.36Å; F118-W122 PolarHBondContact O-N 3.45Å |
| 119 | I | 71.8 | Confident | 65.6 | Low | 99 Ų | 99 | 105.2 Ų | 105.2 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 178.2 | -68.1 | 165.4 | 0 | 0 | 0 | 110.3 | S115 A116 W122 N123 | S115-I119 WeakPolarHBondContact O-CB 3.44Å; S115-I119 VanDerWaalsContact O-CG1 3.24Å; S115-I119 WeakPolarHBondContact O-CG1 3.4Å; S115-I119 PolarHBondContact O-N 2.93Å; A116-I119 PolarHBondContact O-N 2.9Å; I119-W122 PolarHBondContact O-N 3.36Å; I119-N123 WeakPolarHBondContact O-CB 3.39Å; I119-N123 PolarHBondContact O-N 3.43Å |
| 120 | E | 76.1 | Confident | 65.9 | Low | 116 Ų | 116 | 104.5 Ų | 104.5 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 176 | -73.2 | -59.4 | 151.7 | 0 | 0 | 110.8 | A116 W122 N123 L124 | A116-E120 WeakPolarHBondContact O-CB 3.15Å; A116-E120 VanDerWaalsContact O-CG 3.25Å; A116-E120 WeakPolarHBondContact O-CG 3.02Å; A116-E120 PolarHBondContact O-N 3.18Å; E120-W122 VanDerWaalsContact C-N 3.33Å; E120-W122 PolarHBondContact O-N 3.01Å; E120-N123 PolarHBondContact O-N 3.25Å; E120-N123 VanDerWaalsContact O-N 3.15Å; E120-L124 WeakPolarHBondContact O-CB 3.43Å; E120-L124 VanDerWaalsContact O-CD1 3.31Å; E120-L124 WeakPolarHBondContact O-CD1 3.48Å; E120-L124 VanDerWaalsContact O-CG 3.3Å; E120-L124 WeakPolarHBondContact O-CG 3.26Å; E120-L124 PolarHBondContact O-N 2.91Å |
| 121 | K | 80.2 | Confident | 66.1 | Low | 151 Ų | 151 | 107 Ų | 107 | 66% | 0.657 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.4 | -38.4 | 178.2 | -168.5 | 173.2 | -177.2 | -171.2 | 0 | 112.3 | V117 F118 L125 | V117-K121 WeakPolarHBondContact O-CB 2.99Å; V117-K121 PolarHBondContact O-N 2.82Å; F118-K121 PolarHBondContact O-N 3.46Å; K121-L125 WeakPolarHBondContact O-CB 3.45Å; K121-L125 PolarHBondContact O-N 3.34Å |
| 122 | W | 79.3 | Confident | 66.4 | Low | 139 Ų | 139 | 106.5 Ų | 106.5 | 53% | 0.527 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | 174.4 | -175.9 | -97 | 0 | 0 | 0 | 112.4 | F118 I119 E120 L125 R126 | F118-W122 VanDerWaalsContact O-CB 3.25Å; F118-W122 WeakPolarHBondContact O-CB 3.36Å; F118-W122 PolarHBondContact O-N 3.45Å; I119-W122 PolarHBondContact O-N 3.36Å; E120-W122 VanDerWaalsContact C-N 3.33Å; E120-W122 PolarHBondContact O-N 3.01Å; W122-L125 WeakPolarHBondContact O-CB 3.34Å; W122-L125 PolarHBondContact O-N 2.77Å; W122-R126 PolarHBondContact O-N 2.94Å |
| 123 | N | 78 | Confident | 66.5 | Low | 61 Ų | 61 | 104 Ų | 104 | 33% | 0.326 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.9 | -41.5 | 178.5 | -138.9 | 1.6 | 0 | 0 | 0 | 111.5 | I119 E120 L125 R126 Q127 | I119-N123 WeakPolarHBondContact O-CB 3.39Å; I119-N123 PolarHBondContact O-N 3.43Å; E120-N123 PolarHBondContact O-N 3.25Å; E120-N123 VanDerWaalsContact O-N 3.15Å; N123-L125 VanDerWaalsContact C-N 3.27Å; N123-L125 PolarHBondContact O-N 2.86Å; N123-R126 PolarHBondContact O-N 3.49Å; N123-Q127 VanDerWaalsContact O-CG 3.32Å; N123-Q127 WeakPolarHBondContact O-CG 3.44Å; N123-Q127 PolarHBondContact O-N 2.93Å |
| 124 | L | 75.6 | Confident | 66.5 | Low | 114 Ų | 114 | 101.5 Ų | 101.5 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.3 | -41.4 | 169.9 | -77.9 | 154.1 | 0 | 0 | 0 | 111.2 | E120 Q127 T128 | E120-L124 WeakPolarHBondContact O-CB 3.43Å; E120-L124 VanDerWaalsContact O-CD1 3.31Å; E120-L124 WeakPolarHBondContact O-CD1 3.48Å; E120-L124 VanDerWaalsContact O-CG 3.3Å; E120-L124 WeakPolarHBondContact O-CG 3.26Å; E120-L124 PolarHBondContact O-N 2.91Å; L124-Q127 PolarHBondContact O-N 3.16Å; L124-T128 PolarHBondContact O-N 3.05Å |
| 125 | L | 73.7 | Confident | 66.7 | Low | 68 Ų | 68 | 101.4 Ų | 101.4 | 36% | 0.356 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 176.8 | -153.6 | 90.1 | 0 | 0 | 0 | 111.6 | K121 W122 N123 Q127 T128 Y131 | K121-L125 WeakPolarHBondContact O-CB 3.45Å; K121-L125 PolarHBondContact O-N 3.34Å; W122-L125 WeakPolarHBondContact O-CB 3.34Å; W122-L125 PolarHBondContact O-N 2.77Å; N123-L125 VanDerWaalsContact C-N 3.27Å; N123-L125 PolarHBondContact O-N 2.86Å; L125-Q127 PolarHBondContact O-N 3.41Å; L125-T128 WeakPolarHBondContact O-CG2 3.41Å; L125-T128 PolarHBondContact O-N 3.33Å; L125-Y131 HydrophobicContact CD1-CE2 4.44Å; L125-Y131 HydrophobicContact CD2-CE2 3.49Å; L125-Y131 VanDerWaalsContact CD2-CE2 3.49Å; L125-Y131 WeakPolarHBondContact CD2-OH 3.48Å; L125-Y131 HydrophobicContact CG-CD2 4.23Å; L125-Y131 HydrophobicContact CG-CE2 3.48Å; L125-Y131 VanDerWaalsContact CG-CE2 3.48Å; L125-Y131 WeakPolarHBondContact O-CD2 3.12Å |
| 126 | R | 68.5 | Low | 66.7 | Low | 155 Ų | 155 | 104.5 Ų | 104.5 | 59% | 0.585 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.3 | -25.9 | 174.4 | -83.6 | -153.6 | -71.4 | -158.3 | -3.5 | 114 | W122 N123 | W122-R126 PolarHBondContact O-N 2.94Å; N123-R126 PolarHBondContact O-N 3.49Å |
| 127 | Q | 67.9 | Low | 66.7 | Low | 139 Ų | 139 | 109.9 Ų | 109.9 | 65% | 0.65 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -89.1 | -10.9 | 177.9 | -69.5 | -179.1 | 44 | 0 | 0 | 113.2 | N123 L124 L125 | N123-Q127 VanDerWaalsContact O-CG 3.32Å; N123-Q127 WeakPolarHBondContact O-CG 3.44Å; N123-Q127 PolarHBondContact O-N 2.93Å; L124-Q127 PolarHBondContact O-N 3.16Å; L125-Q127 PolarHBondContact O-N 3.41Å |
| 128 | T | 67.1 | Low | 66.4 | Low | 52 Ų | 52 | 109.5 Ų | 109.5 | 32% | 0.319 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -69.2 | 143.1 | 178.8 | -164.9 | 0 | 0 | 0 | 0 | 111 | L124 L125 T130 Y131 | L124-T128 PolarHBondContact O-N 3.05Å; L125-T128 WeakPolarHBondContact O-CG2 3.41Å; L125-T128 PolarHBondContact O-N 3.33Å; T128-T130 PolarHBondContact O-N 3.46Å; T128-Y131 HydrophobicContact CG2-CD2 3.76Å; T128-Y131 HydrophobicContact CG2-CE2 4.39Å; T128-Y131 PolarHBondContact O-N 3.28Å |
| 129 | S | 58.4 | Low | 65.7 | Low | 95 Ų | 95 | 104.9 Ų | 104.9 | 66% | 0.664 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -54.8 | -20.4 | -179.7 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | S133 | S129-S133 WeakPolarHBondContact O-CB 3.21Å; S129-S133 PolarHBondContact O-N 2.98Å |
| 130 | T | 60.2 | Low | 65 | Low | 98 Ų | 98 | 103.1 Ų | 103.1 | 60% | 0.601 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.3 | -37.8 | 175.2 | -41.5 | 0 | 0 | 0 | 0 | 113.3 | T128 | T128-T130 PolarHBondContact O-N 3.46Å |
| 131 | Y | 57.2 | Low | 63.9 | Low | 107 Ų | 107 | 100.2 Ų | 100.2 | 42% | 0.42 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -80.7 | -34 | 177.4 | -80.1 | -95.3 | 0 | 0 | 0 | 111.9 | L125 T128 S133 L134 E135 | L125-Y131 HydrophobicContact CD1-CE2 4.44Å; L125-Y131 HydrophobicContact CD2-CE2 3.49Å; L125-Y131 VanDerWaalsContact CD2-CE2 3.49Å; L125-Y131 WeakPolarHBondContact CD2-OH 3.48Å; L125-Y131 HydrophobicContact CG-CD2 4.23Å; L125-Y131 HydrophobicContact CG-CE2 3.48Å; L125-Y131 VanDerWaalsContact CG-CE2 3.48Å; L125-Y131 WeakPolarHBondContact O-CD2 3.12Å; T128-Y131 HydrophobicContact CG2-CD2 3.76Å; T128-Y131 HydrophobicContact CG2-CE2 4.39Å; T128-Y131 PolarHBondContact O-N 3.28Å; Y131-S133 VanDerWaalsContact C-N 3.3Å; Y131-S133 PolarHBondContact O-N 3.31Å; Y131-L134 PolarHBondContact O-N 3.42Å; Y131-E135 PolarHBondContact O-N 3.35Å |
| 132 | K | 57.9 | Low | 62.5 | Low | 115 Ų | 115 | 96.9 Ų | 96.9 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -31.4 | 171.4 | -68.1 | -137.2 | 170.8 | -152.8 | 0 | 113.6 | L134 E135 N136 | K132-L134 VanDerWaalsContact C-N 3.34Å; K132-E135 WeakPolarHBondContact CA-OE1 3.36Å; K132-E135 VanDerWaalsContact CD-OE1 3.27Å; K132-E135 WeakPolarHBondContact CD-OE1 3.36Å; K132-E135 VanDerWaalsContact CG-OE1 3.22Å; K132-E135 WeakPolarHBondContact CG-OE1 3.33Å; K132-E135 IonicContact NZ-OE1 3.94Å; K132-E135 WeakPolarHBondContact O-CG 3.41Å; K132-N136 WeakPolarHBondContact O-CB 3.4Å; K132-N136 PolarHBondContact O-N 2.9Å; K132-N136 VanDerWaalsContact O-N 3.12Å; K132-N136 PolarHBondContact O-ND2 3.43Å; K132-N136 VanDerWaalsContact O-ND2 3.09Å |
| 133 | S | 57.2 | Low | 61.3 | Low | 72 Ų | 72 | 98 Ų | 98 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.2 | -33 | 175.7 | -170 | 0 | 0 | 0 | 0 | 112.3 | S129 Y131 K137 | S129-S133 WeakPolarHBondContact O-CB 3.21Å; S129-S133 PolarHBondContact O-N 2.98Å; Y131-S133 VanDerWaalsContact C-N 3.3Å; Y131-S133 PolarHBondContact O-N 3.31Å; S133-K137 PolarHBondContact O-N 3.04Å |
| 134 | L | 55.6 | Low | 60.3 | Low | 118 Ų | 118 | 99.7 Ų | 99.7 | 62% | 0.618 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -74.6 | -41.2 | 174.6 | -165.9 | 79.9 | 0 | 0 | 0 | 111.7 | Y131 K132 N136 K137 V138 | Y131-L134 PolarHBondContact O-N 3.42Å; K132-L134 VanDerWaalsContact C-N 3.34Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 2.99Å; L134-K137 PolarHBondContact O-N 3.31Å; L134-V138 PolarHBondContact O-N 3.23Å |
| 135 | E | 61.1 | Low | 59.3 | Low | 95 Ų | 95 | 99.8 Ų | 99.8 | 44% | 0.444 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 178 | 92 | -166.6 | 158.8 | 0 | 0 | 111.7 | Y131 K132 K137 G139 | Y131-E135 PolarHBondContact O-N 3.35Å; K132-E135 WeakPolarHBondContact CA-OE1 3.36Å; K132-E135 VanDerWaalsContact CD-OE1 3.27Å; K132-E135 WeakPolarHBondContact CD-OE1 3.36Å; K132-E135 VanDerWaalsContact CG-OE1 3.22Å; K132-E135 WeakPolarHBondContact CG-OE1 3.33Å; K132-E135 IonicContact NZ-OE1 3.94Å; K132-E135 WeakPolarHBondContact O-CG 3.41Å; E135-K137 VanDerWaalsContact C-N 3.33Å; E135-K137 PolarHBondContact O-N 2.89Å; E135-G139 WeakPolarHBondContact O-CA 3.31Å; E135-G139 PolarHBondContact O-N 3.03Å |
| 136 | N | 56.4 | Low | 58.1 | Low | 112 Ų | 112 | 106.9 Ų | 106.9 | 60% | 0.599 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72 | -24.5 | 177.2 | -70.5 | -26.2 | 0 | 0 | 0 | 113.2 | K132 L134 | K132-N136 WeakPolarHBondContact O-CB 3.4Å; K132-N136 PolarHBondContact O-N 2.9Å; K132-N136 VanDerWaalsContact O-N 3.12Å; K132-N136 PolarHBondContact O-ND2 3.43Å; K132-N136 VanDerWaalsContact O-ND2 3.09Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 2.99Å |
| 137 | K | 60.9 | Low | 57.4 | Low | 164 Ų | 164 | 102.9 Ų | 102.9 | 71% | 0.713 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -86.7 | -32.4 | 175.1 | -99.7 | 170.8 | 173.7 | -86.5 | 0 | 113.2 | S133 L134 E135 | S133-K137 PolarHBondContact O-N 3.04Å; L134-K137 PolarHBondContact O-N 3.31Å; E135-K137 VanDerWaalsContact C-N 3.33Å; E135-K137 PolarHBondContact O-N 2.89Å |
| 138 | V | 60.8 | Low | 56.3 | Low | 89 Ų | 89 | 105.5 Ų | 105.5 | 54% | 0.539 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -86.3 | -32.9 | 177.8 | 91.7 | 0 | 0 | 0 | 0 | 111.6 | L134 C142 | L134-V138 PolarHBondContact O-N 3.23Å; V138-C142 PolarHBondContact O-N 3.22Å; V138-C142 PolarHBondContact O-SG 3.11Å |
| 139 | G | 56.8 | Low | 55.4 | Low | 43 Ų | 43 | 110.6 Ų | 110.6 | 44% | 0.443 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.7 | -30.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E135 | E135-G139 WeakPolarHBondContact O-CA 3.31Å; E135-G139 PolarHBondContact O-N 3.03Å |
| 140 | S | 55.4 | Low | 54.9 | Low | 62 Ų | 62 | 112.7 Ų | 112.7 | 43% | 0.434 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -82.1 | -20.2 | 177.4 | 88.5 | 0 | 0 | 0 | 0 | 113.6 | Y143 N144 | S140-Y143 WeakPolarHBondContact O-CD1 3.47Å; S140-Y143 WeakPolarHBondContact O-CE1 3.35Å; S140-N144 PolarHBondContact O-ND2 3.37Å; S140-N144 VanDerWaalsContact O-ND2 3.13Å |
| 141 | A | 53.5 | Low | 54.4 | Low | 56 Ų | 56 | 116.8 Ų | 116.8 | 46% | 0.463 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -82.3 | -31.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y143 | A141-Y143 PolarHBondContact O-N 3.46Å |
| 142 | C | 51.8 | Low | 53.9 | Low | 80 Ų | 80 | 118 Ų | 118 | 54% | 0.541 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -73 | -23.8 | -177.5 | -69.1 | 0 | 0 | 0 | 0 | 114.8 | V138 | V138-C142 PolarHBondContact O-N 3.22Å; V138-C142 PolarHBondContact O-SG 3.11Å |
| 143 | Y | 53.7 | Low | 53.6 | Low | 163 Ų | 163 | 119.2 Ų | 119.2 | 64% | 0.639 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -11.6 | -177.5 | 84.3 | -91.3 | 0 | 0 | 0 | 114.5 | S140 A141 | S140-Y143 WeakPolarHBondContact O-CD1 3.47Å; S140-Y143 WeakPolarHBondContact O-CE1 3.35Å; A141-Y143 PolarHBondContact O-N 3.46Å |
| 144 | N | 56.6 | Low | 53 | Low | 97 Ų | 97 | 121.8 Ų | 121.8 | 52% | 0.519 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -95.9 | -0.8 | -175.9 | -72.5 | -45.7 | 0 | 0 | 0 | 114.5 | S140 | S140-N144 PolarHBondContact O-ND2 3.37Å; S140-N144 VanDerWaalsContact O-ND2 3.13Å |
| 145 | V | 54.1 | Low | 52.5 | Low | 116 Ų | 116 | 124.7 Ų | 124.7 | 70% | 0.703 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -105.8 | -20.7 | -175.2 | -175.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 146 | Y | 49.2 | Very low | 51.5 | Low | 216 Ų | 216 | 125.4 Ų | 125.4 | 85% | 0.847 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -2.1 | -178.4 | -77.6 | -82.4 | 0 | 0 | 0 | 115.3 | ||
| 147 | G | 53.4 | Low | 50.8 | Low | 72 Ų | 72 | 125.7 Ų | 125.7 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -0.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 148 | K | 45.8 | Very low | 50 | Low | 193 Ų | 193 | 121.4 Ų | 121.4 | 84% | 0.839 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -119 | 53.1 | -176.3 | -68.4 | -175.6 | 178.2 | 178.1 | 0 | 112 | ||
| 149 | L | 48.2 | Very low | 49.1 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | trans | -156 | 57.5 | 173.8 | -161.8 | 68.9 | 0 | 0 | 0 | 112.3 | ||||
| 150 | T | 48.2 | Very low | 48.3 | Very low | 139 Ų | 139 | 128.4 Ų | 128.4 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | trans | -155.7 | 80.2 | 164.9 | -51.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 151 | R | 49.7 | Very low | 47.6 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 69% | 0.694 | 73% | 0.734 | S | S | * | * | trans | 179 | 114.7 | 138.6 | -122.2 | 171.2 | 166.5 | -140.6 | 13 | 111.8 | K153 | R151-K153 VanDerWaalsContact NH2-NZ 3.14Š| ||
| 152 | P | 45.9 | Very low | 47 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -88 | 115 | 151.4 | 29.9 | -20.5 | 0 | 0 | 0 | 108 | ||||
| 153 | K | 51.7 | Low | 46.5 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 61% | 0.609 | 75% | 0.747 | S | S | * | * | trans | -128.6 | 106.8 | 159.5 | -81.5 | -154.2 | 177 | -174.8 | 0 | 108.9 | R151 | R151-K153 VanDerWaalsContact NH2-NZ 3.14Š| ||
| 154 | T | 45.4 | Very low | 45.6 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | 17.8 | 111.2 | 140.5 | 59.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 155 | L | 44.7 | Very low | 44.9 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 94% | 0.942 | 77% | 0.77 | S | S | * | * | trans | 27.9 | 98.4 | 130.4 | -151.2 | 77.7 | 0 | 0 | 0 | 115.9 | ||||
| 156 | S | 40.5 | Very low | 44.1 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -174 | 129.8 | 137.1 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 157 | S | 40.3 | Very low | 43.7 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -38.7 | 150.1 | 169 | 56.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 158 | G | 44.7 | Very low | 43 | Very low | 75 Ų | 75 | 143.9 Ų | 143.9 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | 147.9 | 93.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 159 | T | 41.6 | Very low | 42.8 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -49.3 | 153.3 | 166.5 | 26 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 160 | E | 40.6 | Very low | 42.2 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | 90.9 | 116.1 | 146.6 | -71 | 165.4 | -137.6 | 0 | 0 | 121.5 | ||||
| 161 | H | 41.1 | Very low | 41.8 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | 95.3 | 110.9 | 120.5 | -83.5 | -128.2 | 0 | 0 | 0 | 121.9 | |||||
| 162 | I | 40.5 | Very low | 41.3 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | trans | 68.9 | 129 | 131 | -37.1 | 169 | 0 | 0 | 0 | 120.5 | ||||
| 163 | S | 39.7 | Very low | 41.2 | Very low | 86 Ų | 86 | 138.3 Ų | 138.3 | 60% | 0.601 | 78% | 0.78 | S | S | * | * | trans | 94.2 | 114.5 | 133.5 | 27.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 164 | N | 35.5 | Very low | 41.1 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | 58.4 | 115.1 | 122.6 | -53.2 | -7.9 | 0 | 0 | 0 | 118.4 | |||||
| 165 | S | 42.9 | Very low | 40.9 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | -178.1 | 136.4 | 104.8 | 63.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 166 | E | 36.1 | Very low | 40.9 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -43.9 | 141.5 | 168.6 | -67.5 | 158.2 | 115.4 | 0 | 0 | 113.7 | ||||
| 167 | K | 41.3 | Very low | 40.8 | Very low | 212 Ų | 212 | 136.3 Ų | 136.3 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | -160.5 | 123.4 | 129.2 | -104.9 | 159.4 | -169.5 | -179.4 | 0 | 110.7 | |||||
| 168 | Q | 39.4 | Very low | 41.3 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | -54.7 | 143.7 | 175.3 | -56.5 | 165.1 | 15.6 | 0 | 0 | 110.2 | ||||
| 169 | N | 40.3 | Very low | 41.4 | Very low | 170 Ų | 170 | 139 Ų | 139 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -162.4 | 106.7 | 145.7 | -91.1 | -19.7 | 0 | 0 | 0 | 110.8 | ||||
| 170 | T | 35.9 | Very low | 41.5 | Very low | 130 Ų | 130 | 141 Ų | 141 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -61.1 | 130.9 | 170.4 | -23.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 171 | T | 39.9 | Very low | 42 | Very low | 134 Ų | 134 | 139 Ų | 139 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -153.1 | 113.7 | 152 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 172 | T | 39.1 | Very low | 42 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -39.6 | 134.6 | 164.2 | -50.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 173 | T | 44 | Very low | 42.7 | Very low | 134 Ų | 134 | 141 Ų | 141 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -111.7 | 118.5 | 165.4 | -57.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 174 | T | 50 | Low | 42.5 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | trans | -76.7 | 138.9 | 172.2 | 30.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 175 | I | 40.9 | Very low | 42.8 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -90.9 | 125.8 | 174 | -60.1 | 169.4 | 0 | 0 | 0 | 107.5 | ||||
| 176 | A | 44.7 | Very low | 42.7 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -110.3 | 120.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 177 | T | 39.1 | Very low | 43.1 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -81.1 | 137.4 | 172.3 | -55 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 178 | A | 49.3 | Very low | 42.8 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -105.2 | 132.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 179 | D | 48 | Very low | 43.1 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -76.5 | 151.2 | -174.7 | -71.4 | -48.5 | 0 | 0 | 0 | 114.8 | ||||
| 180 | I | 43.2 | Very low | 43.3 | Very low | 165 Ų | 165 | 132.1 Ų | 132.1 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -76.6 | 119.3 | 172.3 | -62.3 | 166.3 | 0 | 0 | 0 | 109 | ||||
| 181 | T | 50.7 | Low | 43.8 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 69% | 0.693 | 79% | 0.786 | S | S | * | * | trans | -109.7 | 114.7 | 169.5 | -61.5 | 0 | 0 | 0 | 0 | 110.3 | K183 | T181-K183 HydrophobicContact CG2-CG 4.29Š| ||
| 182 | T | 41.6 | Very low | 44.2 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | -76.4 | 132.3 | 166.7 | 40.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 183 | K | 54.3 | Low | 44.2 | Very low | 193 Ų | 193 | 131.9 Ų | 131.9 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -128.2 | 122.5 | 165.4 | -70.4 | -168.8 | 179.1 | -174.6 | 0 | 109.7 | T181 | T181-K183 HydrophobicContact CG2-CG 4.29Š| ||
| 184 | S | 36.6 | Very low | 44.3 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -82.1 | 145.6 | 170.7 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 185 | C | 42.1 | Very low | 43.9 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -137.8 | 114.6 | 160.4 | -58.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 186 | N | 40.9 | Very low | 43.6 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -84.8 | 132.8 | 163 | -72.1 | -30.9 | 0 | 0 | 0 | 108 | ||||
| 187 | L | 43.3 | Very low | 43.5 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 94% | 0.942 | 78% | 0.782 | S | S | * | * | trans | -138.7 | 117.1 | 156.1 | -146.1 | 73.5 | 0 | 0 | 0 | 108 | ||||
| 188 | G | 35.8 | Very low | 43.6 | Very low | 57 Ų | 57 | 133.2 Ų | 133.2 | 59% | 0.588 | 79% | 0.785 | S | S | * | * | trans | -98.1 | 176.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 189 | T | 45.7 | Very low | 43.2 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | 73.2 | 137.8 | 161 | 74.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 190 | N | 43.5 | Very low | 43 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | cis | -176.3 | 170.9 | -0.7 | 45.6 | 9.9 | 0 | 0 | 0 | 107.1 | ||||
| 191 | N | 47.8 | Very low | 42.9 | Very low | 119 Ų | 119 | 132 Ų | 132 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | trans | 97.3 | 97.4 | 158.3 | -45 | -27.1 | 0 | 0 | 0 | 117.4 | ||||
| 192 | N | 46.9 | Very low | 42.2 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | 63.4 | 102.2 | 122.3 | -56.8 | -11.4 | 0 | 0 | 0 | 119 | |||||
| 193 | S | 41 | Very low | 42 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | 44.1 | 106 | 125.7 | -163.4 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 194 | V | 44.5 | Very low | 41 | Very low | 127 Ų | 127 | 126 Ų | 126 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 35.1 | 134.8 | 131.5 | -179.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 195 | P | 41.6 | Very low | 41.2 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | cis | -145.9 | 174.4 | 32.5 | 20.2 | 8.1 | 0 | 0 | 0 | 117.4 | ||||
| 196 | Q | 34.2 | Very low | 41 | Very low | 192 Ų | 192 | 125.1 Ų | 125.1 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | 27.4 | 108.7 | 138.2 | -55.2 | 176 | -6.6 | 0 | 0 | 118.8 | ||||
| 197 | S | 42.8 | Very low | 41 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -163.1 | 127.5 | 142.2 | 54.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 198 | V | 41.4 | Very low | 40.9 | Very low | 142 Ų | 142 | 124.3 Ų | 124.3 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | trans | -54.7 | 137.9 | 174.1 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 199 | S | 42.2 | Very low | 41.1 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -130.4 | 99.3 | 157.6 | 51.7 | 0 | 0 | 0 | 0 | 109 | I201 | S199-I201 PolarHBondContact O-N 2.88Š| ||
| 200 | V | 43.5 | Very low | 40.7 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | -62.4 | 117.9 | 160.9 | -75 | 0 | 0 | 0 | 0 | 108.1 | S202 | V200-S202 PolarHBondContact O-N 2.91Š| ||
| 201 | I | 40.2 | Very low | 40.6 | Very low | 151 Ų | 151 | 128.5 Ų | 128.5 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | trans | -94.2 | 88.4 | 161 | -61.1 | 178.6 | 0 | 0 | 0 | 106.1 | S199 S203 | S199-I201 PolarHBondContact O-N 2.88Å; I201-S203 PolarHBondContact O-N 3.14Å | ||
| 202 | S | 35.9 | Very low | 40.1 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | trans | -70.7 | 96.9 | 161.1 | -59.6 | 0 | 0 | 0 | 0 | 108.1 | V200 S204 | V200-S202 PolarHBondContact O-N 2.91Å; S202-S204 PolarHBondContact O-N 3.13Å | ||
| 203 | S | 37.3 | Very low | 40 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | -97.1 | 75.8 | 162.4 | -67 | 0 | 0 | 0 | 0 | 108.5 | I201 S205 | I201-S203 PolarHBondContact O-N 3.14Å; S203-S205 PolarHBondContact O-N 2.87Å | ||
| 204 | S | 33.6 | Very low | 39.6 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -71.1 | 96.1 | 161.5 | 51.3 | 0 | 0 | 0 | 0 | 108.5 | S202 | S202-S204 PolarHBondContact O-N 3.13Š| ||
| 205 | S | 40.1 | Very low | 39.6 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -109.7 | 93.7 | 157.5 | 61.8 | 0 | 0 | 0 | 0 | 108 | S203 F207 | S203-S205 PolarHBondContact O-N 2.87Å; S205-F207 PolarHBondContact O-N 3.44Å; S205-F207 VanDerWaalsContact O-N 3.11Å | ||
| 206 | S | 39.2 | Very low | 39.5 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | -49 | 107.7 | 162.7 | 44.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 207 | F | 41.2 | Very low | 39.8 | Very low | 200 Ų | 200 | 130 Ų | 130 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -103.5 | 109 | 162.9 | -135.6 | -91.4 | 0 | 0 | 0 | 108 | S205 | S205-F207 PolarHBondContact O-N 3.44Å; S205-F207 VanDerWaalsContact O-N 3.11Å | ||
| 208 | N | 40.4 | Very low | 40.1 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 65% | 0.647 | 76% | 0.756 | S | S | * | * | trans | -69.9 | 122.6 | -179.6 | -177.4 | -2.1 | 0 | 0 | 0 | 109.9 | N210 | N208-N210 VanDerWaalsContact C-N 3.33Å; N208-N210 PolarHBondContact O-N 3.25Å; N208-N210 VanDerWaalsContact O-N 3.16Å | ||
| 209 | P | 39.1 | Very low | 40.3 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | trans | -91.5 | 66.1 | -178.2 | 37.4 | -31.8 | 0 | 0 | 0 | 109.4 | ||||
| 210 | N | 39 | Very low | 40.8 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | -158.3 | 81 | 173.3 | -80.3 | -47.8 | 0 | 0 | 0 | 110.8 | N208 | N208-N210 VanDerWaalsContact C-N 3.33Å; N208-N210 PolarHBondContact O-N 3.25Å; N208-N210 VanDerWaalsContact O-N 3.16Å | ||
| 211 | N | 40.9 | Very low | 41.1 | Very low | 149 Ų | 149 | 134 Ų | 134 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -146.8 | 107.8 | 148.8 | -159.1 | 2.7 | 0 | 0 | 0 | 110.5 | K213 | N211-K213 PolarHBondContact O-N 2.95Š| ||
| 212 | S | 36.8 | Very low | 41.7 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -53.5 | 111.4 | 164.8 | 174.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 213 | K | 44 | Very low | 42.2 | Very low | 185 Ų | 185 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -153.1 | 118.5 | 154 | -130.2 | 158.6 | -175.1 | 167.4 | 0 | 108.7 | N211 N215 | N211-K213 PolarHBondContact O-N 2.95Å; K213-N215 PolarHBondContact O-N 3.37Å | ||
| 214 | G | 34 | Very low | 42.7 | Very low | 76 Ų | 76 | 138.6 Ų | 138.6 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | trans | -53.2 | 127.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N216 | G214-N216 PolarHBondContact O-N 3.48Š| ||
| 215 | N | 43.4 | Very low | 43.3 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | -83.3 | 104.6 | 157.6 | -62.7 | -20.8 | 0 | 0 | 0 | 105.5 | K213 Y217 | K213-N215 PolarHBondContact O-N 3.37Å; N215-Y217 PolarHBondContact O-N 2.92Å | ||
| 216 | N | 40.2 | Very low | 44.1 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | trans | -55.8 | 113.9 | 167.8 | -155.2 | 17.4 | 0 | 0 | 0 | 107.1 | G214 D218 | G214-N216 PolarHBondContact O-N 3.48Å; N216-D218 VanDerWaalsContact C-N 3.28Å; N216-D218 PolarHBondContact ND2-OD1 3.47Å; N216-D218 VanDerWaalsContact ND2-OD1 3.1Å; N216-D218 PolarHBondContact O-N 2.78Å; N216-D218 VanDerWaalsContact O-N 3.16Å | ||
| 217 | Y | 40.5 | Very low | 44.9 | Very low | 195 Ų | 195 | 143 Ų | 143 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | -79.4 | 90.5 | 165.7 | -66.3 | -70.5 | 0 | 0 | 0 | 105.5 | N215 E219 | N215-Y217 PolarHBondContact O-N 2.92Å; Y217-E219 PolarHBondContact O-N 3.16Å; Y217-E219 VanDerWaalsContact O-N 3.1Å | ||
| 218 | D | 48.7 | Very low | 45.3 | Very low | 117 Ų | 117 | 140 Ų | 140 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | trans | -68 | 107.5 | 165.2 | -68 | -43.7 | 0 | 0 | 0 | 106.4 | N216 D220 | N216-D218 VanDerWaalsContact C-N 3.28Å; N216-D218 PolarHBondContact ND2-OD1 3.47Å; N216-D218 VanDerWaalsContact ND2-OD1 3.1Å; N216-D218 PolarHBondContact O-N 2.78Å; N216-D218 VanDerWaalsContact O-N 3.16Å; D218-D220 PolarHBondContact O-N 3.36Å | ||
| 219 | E | 46.7 | Very low | 45.6 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -63.6 | 85 | 166.1 | -73.5 | -148.6 | 163 | 0 | 0 | 108.7 | Y217 N221 | Y217-E219 PolarHBondContact O-N 3.16Å; Y217-E219 VanDerWaalsContact O-N 3.1Å; E219-N221 PolarHBondContact O-N 2.93Å; E219-N221 VanDerWaalsContact O-N 3.11Å | ||
| 220 | D | 53 | Low | 46.4 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | trans | -73.8 | 101.6 | 161.7 | -79.8 | -22.7 | 0 | 0 | 0 | 107.8 | D218 I222 | D218-D220 PolarHBondContact O-N 3.36Å; D220-I222 PolarHBondContact O-N 3.44Å | ||
| 221 | N | 48.4 | Very low | 47 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | trans | -29.9 | 101.2 | 164.8 | -55.5 | -68.8 | 0 | 0 | 0 | 111.3 | E219 E223 | E219-N221 PolarHBondContact O-N 2.93Å; E219-N221 VanDerWaalsContact O-N 3.11Å; N221-E223 PolarHBondContact O-N 2.96Å | ||
| 222 | I | 52.4 | Low | 47.6 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 80% | 0.795 | 71% | 0.714 | S | S | * | * | trans | -78.1 | 91.6 | 161.7 | -59.3 | 176.1 | 0 | 0 | 0 | 104.8 | D220 I224 | D220-I222 PolarHBondContact O-N 3.44Å; I222-I224 PolarHBondContact O-N 2.96Å | ||
| 223 | E | 47.2 | Very low | 48.3 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | trans | -50.9 | 106.7 | 162.6 | -80.3 | -179.5 | 160.6 | 0 | 0 | 107.5 | N221 N225 | N221-E223 PolarHBondContact O-N 2.96Å; E223-N225 PolarHBondContact O-N 3.33Å | ||
| 224 | I | 47.2 | Very low | 49 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | trans | -69.3 | 95.5 | 167.1 | -55.8 | 173.5 | 0 | 0 | 0 | 104 | I222 E226 | I222-I224 PolarHBondContact O-N 2.96Å; I224-E226 PolarHBondContact O-N 3.28Å | ||
| 225 | N | 47.6 | Very low | 49.6 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 54% | 0.54 | 69% | 0.689 | S | S | . | * | trans | -56.6 | 109.3 | 167.3 | -74.7 | -45.3 | 0 | 0 | 0 | 106.8 | E223 N227 D228 | E223-N225 PolarHBondContact O-N 3.33Å; N225-N227 PolarHBondContact O-N 3.5Å; N225-D228 PolarHBondContact O-N 2.91Å | ||
| 226 | E | 56.2 | Low | 50.1 | Low | 179 Ų | 179 | 136.6 Ų | 136.6 | 84% | 0.836 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 0.3 | -179.8 | -152.9 | 172.7 | -172.2 | 0 | 0 | 113.2 | I224 | I224-E226 PolarHBondContact O-N 3.28Š|
| 227 | N | 55.6 | Low | 50.9 | Low | 146 Ų | 146 | 136.2 Ų | 136.2 | 78% | 0.781 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -4.7 | -178.3 | -60.3 | -51.3 | 0 | 0 | 0 | 114.4 | N225 S229 | N225-N227 PolarHBondContact O-N 3.5Å; N227-S229 VanDerWaalsContact C-N 3.31Å |
| 228 | D | 50.3 | Low | 51.4 | Low | 138 Ų | 138 | 133.6 Ų | 133.6 | 74% | 0.738 | 69% | 0.687 | S | S | * | * | trans | -94.8 | 19.2 | 176.1 | -75.9 | -5.5 | 0 | 0 | 0 | 112.7 | N225 I230 | N225-D228 PolarHBondContact O-N 2.91Å; D228-I230 PolarHBondContact O-N 3.4Å | ||
| 229 | S | 47.1 | Very low | 51.5 | Low | 101 Ų | 101 | 135.2 Ų | 135.2 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | trans | -60.7 | 98 | 167.8 | -170.7 | 0 | 0 | 0 | 0 | 108.9 | N227 D231 | N227-S229 VanDerWaalsContact C-N 3.31Å; S229-D231 VanDerWaalsContact C-N 3.25Å; S229-D231 PolarHBondContact O-N 3.41Å | ||
| 230 | I | 55.3 | Low | 51.8 | Low | 122 Ų | 122 | 134.6 Ų | 134.6 | 63% | 0.626 | 69% | 0.694 | S | S | * | * | trans | -67.1 | 97.4 | 165.2 | -60.1 | 167.1 | 0 | 0 | 0 | 104.8 | D228 F232 | D228-I230 PolarHBondContact O-N 3.4Å; I230-F232 HydrophobicContact CB-CD2 4.05Å; I230-F232 HydrophobicContact CB-CE2 4.01Å; I230-F232 HydrophobicContact CG2-CD2 3.52Å; I230-F232 HydrophobicContact CG2-CE2 3.41Å; I230-F232 VanDerWaalsContact CG2-CE2 3.41Å; I230-F232 HydrophobicContact CG2-CG 4.3Å; I230-F232 HydrophobicContact CG2-CZ 4.11Å; I230-F232 WeakPolarHBondContact O-CD2 3.39Å; I230-F232 PolarHBondContact O-N 3.23Å | ||
| 231 | D | 52.2 | Low | 51.7 | Low | 78 Ų | 78 | 135.2 Ų | 135.2 | 42% | 0.417 | 70% | 0.697 | S | S | . | * | trans | -62.3 | 81.4 | 173.7 | -171.7 | 16.2 | 0 | 0 | 0 | 108.9 | S229 D233 K234 | S229-D231 VanDerWaalsContact C-N 3.25Å; S229-D231 PolarHBondContact O-N 3.41Å; D231-D233 PolarHBondContact O-N 3.38Å; D231-K234 WeakPolarHBondContact O-CB 3.05Å; D231-K234 PolarHBondContact O-N 2.93Å; D231-K234 WeakPolarHBondContact OD2-CD 3.38Å | ||
| 232 | F | 52.9 | Low | 51.8 | Low | 139 Ų | 139 | 135.6 Ų | 135.6 | 61% | 0.61 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -68 | -16.6 | 176.5 | -93.9 | -81.7 | 0 | 0 | 0 | 111.5 | I230 K234 L235 L236 | I230-F232 HydrophobicContact CB-CD2 4.05Å; I230-F232 HydrophobicContact CB-CE2 4.01Å; I230-F232 HydrophobicContact CG2-CD2 3.52Å; I230-F232 HydrophobicContact CG2-CE2 3.41Å; I230-F232 VanDerWaalsContact CG2-CE2 3.41Å; I230-F232 HydrophobicContact CG2-CG 4.3Å; I230-F232 HydrophobicContact CG2-CZ 4.11Å; I230-F232 WeakPolarHBondContact O-CD2 3.39Å; I230-F232 PolarHBondContact O-N 3.23Å; F232-K234 PolarHBondContact O-N 2.64Å; F232-L235 HydrophobicContact CD1-CD1 3.86Å; F232-L235 HydrophobicContact CE1-CD1 3.97Å; F232-L235 PolarHBondContact O-N 3.33Å; F232-L236 PolarHBondContact O-N 3.21Å |
| 233 | D | 51.8 | Low | 51.8 | Low | 121 Ų | 121 | 137 Ų | 137 | 65% | 0.647 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -68.2 | -20.7 | 173.7 | -64.2 | -24.1 | 0 | 0 | 0 | 112 | D231 L235 N237 | D231-D233 PolarHBondContact O-N 3.38Å; D233-L235 VanDerWaalsContact C-N 3.33Å; D233-N237 PolarHBondContact O-ND2 3.09Å |
| 234 | K | 57.9 | Low | 51.6 | Low | 149 Ų | 149 | 135.4 Ų | 135.4 | 65% | 0.648 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -76.6 | -17.2 | 169.8 | -106.3 | 172.9 | -179 | -73.9 | 0 | 114.1 | D231 F232 | D231-K234 WeakPolarHBondContact O-CB 3.05Å; D231-K234 PolarHBondContact O-N 2.93Å; D231-K234 WeakPolarHBondContact OD2-CD 3.38Å; F232-K234 PolarHBondContact O-N 2.64Å |
| 235 | L | 47.2 | Very low | 52 | Low | 106 Ų | 106 | 136.1 Ų | 136.1 | 56% | 0.555 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -16.7 | -177.8 | -65.6 | 175.3 | 0 | 0 | 0 | 112.9 | F232 D233 | F232-L235 HydrophobicContact CD1-CD1 3.86Å; F232-L235 HydrophobicContact CE1-CD1 3.97Å; F232-L235 PolarHBondContact O-N 3.33Å; D233-L235 VanDerWaalsContact C-N 3.33Å |
| 236 | L | 53.7 | Low | 51.9 | Low | 141 Ų | 141 | 142.5 Ų | 142.5 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -93.6 | -9.5 | -178.8 | -137.9 | 73 | 0 | 0 | 0 | 114.2 | F232 | F232-L236 PolarHBondContact O-N 3.21Š|
| 237 | N | 56.3 | Low | 51.8 | Low | 121 Ų | 121 | 141.2 Ų | 141.2 | 65% | 0.647 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -97.1 | -9 | -176.5 | -75.4 | -52.5 | 0 | 0 | 0 | 114.8 | D233 | D233-N237 PolarHBondContact O-ND2 3.09Š|
| 238 | D | 51.3 | Low | 52 | Low | 139 Ų | 139 | 142.4 Ų | 142.4 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -94.4 | -9.6 | 179.8 | -77.2 | -14 | 0 | 0 | 0 | 113.9 | ||
| 239 | D | 51.5 | Low | 52.3 | Low | 152 Ų | 152 | 143.2 Ų | 143.2 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -99.2 | 6.3 | -179.2 | -82 | -23.5 | 0 | 0 | 0 | 114.5 | ||
| 240 | M | 51.9 | Low | 53 | Low | 161 Ų | 161 | 148 Ų | 148 | 79% | 0.793 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -108 | 31.4 | -177.1 | -114.7 | -75.7 | -60 | 0 | 0 | 113.5 | ||
| 241 | L | 51.9 | Low | 52.7 | Low | 154 Ų | 154 | 154.7 Ų | 154.7 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -137.6 | 26.1 | -175.7 | -122.4 | 167.2 | 0 | 0 | 0 | 115.4 | ||
| 242 | L | 51 | Low | 52.7 | Low | 151 Ų | 151 | 158.6 Ų | 158.6 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -125.5 | 146.3 | 160.8 | -95.7 | 99 | 0 | 0 | 0 | 108.7 | ||||
| 243 | H | 51 | Low | 52.7 | Low | 183 Ų | 183 | 159.6 Ų | 159.6 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | 106.6 | 21 | -178.5 | -41.9 | 165.9 | 0 | 0 | 0 | 115.9 | N245 | H243-N245 PolarHBondContact O-N 3.05Š| ||
| 244 | S | 44.3 | Very low | 52.7 | Low | 126 Ų | 126 | 161.7 Ų | 161.7 | 88% | 0.881 | 81% | 0.805 | S | S | * | * | trans | -94.5 | 74.3 | 149.7 | -83.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 245 | N | 54.9 | Low | 52.4 | Low | 151 Ų | 151 | 162.5 Ų | 162.5 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | trans | -138.5 | 118.3 | 165.1 | -92.7 | -44.5 | 0 | 0 | 0 | 108.3 | H243 | H243-N245 PolarHBondContact O-N 3.05Š| ||
| 246 | R | 44.8 | Very low | 52.8 | Low | 235 Ų | 235 | 166 Ų | 166 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | 78.1 | 98.5 | 140.3 | -164.9 | -179.3 | -171.8 | 133.5 | 0 | 115.4 | ||||
| 247 | I | 54.7 | Low | 52.7 | Low | 151 Ų | 151 | 167.7 Ų | 167.7 | 77% | 0.774 | 84% | 0.837 | S | S | * | * | -168.1 | 90.5 | 124.2 | -77.2 | 132.8 | 0 | 0 | 0 | 106 | N249 | I247-N249 HydrophobicContact CG2-CB 4.3Š| |||
| 248 | D | 60 | Low | 52.4 | Low | 172 Ų | 172 | 171 Ų | 171 | 92% | 0.92 | 85% | 0.851 | S | S | * | * | trans | -90.8 | 102.1 | 157.4 | -78.5 | -37.1 | 0 | 0 | 0 | 106.8 | K250 | D248-K250 PolarHBondContact O-N 3.38Š| ||
| 249 | N | 56.7 | Low | 52.5 | Low | 154 Ų | 154 | 173.5 Ų | 173.5 | 82% | 0.824 | 86% | 0.859 | S | S | * | * | trans | -81.8 | 104.3 | 174.8 | -132.8 | -16.3 | 0 | 0 | 0 | 107.7 | I247 | I247-N249 HydrophobicContact CG2-CB 4.3Š| ||
| 250 | K | 61.2 | Low | 52.6 | Low | 201 Ų | 201 | 175.3 Ų | 175.3 | 87% | 0.874 | 86% | 0.863 | S | S | * | * | trans | -83 | 114.1 | 175.9 | -161.8 | 176.5 | -176.4 | -178.5 | 0 | 108.8 | D248 | D248-K250 PolarHBondContact O-N 3.38Š| ||
| 251 | K | 49.3 | Very low | 52.7 | Low | 264 Ų | 264 | 176.5 Ų | 176.5 | 100% | 1.148 | 87% | 0.869 | S | S | * | * | trans | -78.3 | 0 | 159.9 | -173 | 178.4 | 179.2 | -173.6 | 0 | 109.9 |
Retrieved 251 of 251 residues in 59.7 ms
(Link to these results)