| 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 | 32.3 | Very low | 39.3 | Very low | 231 Ų | 231 | 147.5 Ų | 147.5 | 100% | 1.138 | 87% | 0.866 | S | S | * | * | 0 | 124.1 | 0 | -79.9 | 167.1 | 78.3 | 0 | 0 | 108.5 | |||||
| 2 | F | 39.3 | Very low | 39.8 | Very low | 199 Ų | 199 | 143.2 Ų | 143.2 | 87% | 0.873 | 85% | 0.849 | S | S | * | * | trans | 34 | 126.9 | 155.1 | -63.8 | -81.7 | 0 | 0 | 0 | 123.3 | ||||
| 3 | A | 36.3 | Very low | 40.2 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 82% | 0.818 | 85% | 0.849 | S | S | * | * | trans | -150.7 | 105.7 | 140.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 4 | L | 42.7 | Very low | 40.1 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 94% | 0.942 | 84% | 0.839 | S | S | * | * | 67.2 | 113.3 | 77.1 | -129.1 | 121.3 | 0 | 0 | 0 | 116.2 | |||||
| 5 | G | 36.2 | Very low | 40.1 | Very low | 80 Ų | 80 | 147.6 Ų | 147.6 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | trans | 119.8 | 126.5 | 135.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 6 | G | 35.8 | Very low | 40.5 | Very low | 77 Ų | 77 | 150.4 Ų | 150.4 | 79% | 0.794 | 84% | 0.844 | S | S | * | * | trans | 137.3 | 85.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 7 | L | 45.5 | Very low | 40.4 | Very low | 162 Ų | 162 | 148.9 Ų | 148.9 | 85% | 0.848 | 85% | 0.846 | S | S | * | * | 77 | 105.1 | 78.3 | -128.8 | 103.8 | 0 | 0 | 0 | 117.8 | |||||
| 8 | L | 43.8 | Very low | 40.5 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 76% | 0.764 | 83% | 0.833 | S | S | * | * | trans | 54.7 | 126.8 | 135.2 | -66.7 | 172.8 | 0 | 0 | 0 | 125 | ||||
| 9 | R | 38.4 | Very low | 40.7 | Very low | 231 Ų | 231 | 141.2 Ų | 141.2 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | 146.3 | 112.2 | 116.7 | -97.7 | -177.1 | 174 | -175.3 | -1.6 | 111.9 | |||||
| 10 | V | 45.6 | Very low | 40.9 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 84% | 0.842 | 83% | 0.83 | S | S | * | * | 61.4 | 115.5 | 93.6 | -178.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 11 | G | 36.6 | Very low | 41.1 | Very low | 78 Ų | 78 | 142.7 Ų | 142.7 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -166.1 | 91.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 12 | S | 45.1 | Very low | 41.9 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 67% | 0.671 | 82% | 0.819 | S | S | * | * | trans | -76.4 | 133.2 | 174.5 | 46.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 13 | T | 44.9 | Very low | 42.6 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -135.8 | 118.9 | 154.6 | 50.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 14 | F | 39.6 | Very low | 43.2 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 72% | 0.715 | 81% | 0.81 | S | S | * | * | trans | -41.9 | 146.1 | 167.3 | -58.7 | -95.7 | 0 | 0 | 0 | 114.4 | ||||
| 15 | F | 40 | Very low | 43.8 | Very low | 196 Ų | 196 | 136.3 Ų | 136.3 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | 165.7 | 143 | 101.5 | -83.3 | -67.7 | 0 | 0 | 0 | 111.7 | |||||
| 16 | H | 45.9 | Very low | 44.7 | Very low | 193 Ų | 193 | 143.3 Ų | 143.3 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -65.1 | 156.4 | 179.5 | -90 | 56.7 | 0 | 0 | 0 | 114.3 | ||||
| 17 | S | 39.8 | Very low | 45.8 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | 139.9 | 133.7 | 145.4 | -172.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 18 | A | 42.2 | Very low | 46.6 | Very low | 76 Ų | 76 | 145.3 Ų | 145.3 | 63% | 0.628 | 80% | 0.798 | S | S | * | * | cis | -149.1 | 147.1 | 10.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | N20 | A18-N20 PolarHBondContact O-N 3.48Š| ||
| 19 | G | 43.8 | Very low | 47.5 | Very low | 74 Ų | 74 | 143.3 Ų | 143.3 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | -64.9 | 115.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.1 | L21 | G19-L21 PolarHBondContact O-N 3.43Å; G19-L21 VanDerWaalsContact O-N 3.13Å | ||
| 20 | N | 44.1 | Very low | 48.6 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -76.2 | 101.4 | 166.7 | -86.3 | -17 | 0 | 0 | 0 | 108.4 | A18 L22 | A18-N20 PolarHBondContact O-N 3.48Å; N20-L22 PolarHBondContact O-N 2.77Å | ||
| 21 | L | 46 | Very low | 49.4 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -49.4 | 108.6 | 165.8 | -68.8 | 163.1 | 0 | 0 | 0 | 109.2 | G19 L23 | G19-L21 PolarHBondContact O-N 3.43Å; G19-L21 VanDerWaalsContact O-N 3.13Å; L21-L23 VanDerWaalsContact C-N 3.3Å; L21-L23 PolarHBondContact O-N 2.88Å | ||
| 22 | L | 48.6 | Very low | 50.7 | Low | 173 Ų | 173 | 135.8 Ų | 135.8 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | -68.7 | 89.6 | 168.6 | -70.5 | 168.5 | 0 | 0 | 0 | 108.4 | N20 P24 | N20-L22 PolarHBondContact O-N 2.77Å; L22-P24 WeakPolarHBondContact O-CD 3.27Å | ||
| 23 | L | 53.1 | Low | 51.4 | Low | 144 Ų | 144 | 136.2 Ų | 136.2 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -68.8 | 122.9 | 163.3 | -69.7 | 170.7 | 0 | 0 | 0 | 108.1 | L21 I25 | L21-L23 VanDerWaalsContact C-N 3.3Å; L21-L23 PolarHBondContact O-N 2.88Å; L23-I25 VanDerWaalsContact C-N 3.28Å; L23-I25 PolarHBondContact O-N 2.76Å | ||
| 24 | P | 49 | Very low | 52.2 | Low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -73 | 91.1 | 166.1 | 30.2 | -30.7 | 0 | 0 | 0 | 107.5 | L22 R26 | L22-P24 WeakPolarHBondContact O-CD 3.27Å; P24-R26 VanDerWaalsContact C-N 3.32Å; P24-R26 PolarHBondContact O-N 3.3Å | ||
| 25 | I | 55.5 | Low | 53.4 | Low | 142 Ų | 142 | 135.9 Ų | 135.9 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | trans | -61.2 | 101.6 | 162.7 | -80 | 169.7 | 0 | 0 | 0 | 106 | L23 T27 | L23-I25 VanDerWaalsContact C-N 3.28Å; L23-I25 PolarHBondContact O-N 2.76Å; I25-T27 PolarHBondContact O-N 3.27Å | ||
| 26 | R | 55.9 | Low | 54.7 | Low | 227 Ų | 227 | 133.7 Ų | 133.7 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | trans | -63.1 | 105.9 | 163.9 | -70.5 | -173.7 | 177.7 | -177.3 | 0 | 105.9 | P24 I28 | P24-R26 VanDerWaalsContact C-N 3.32Å; P24-R26 PolarHBondContact O-N 3.3Å; R26-I28 VanDerWaalsContact C-N 3.33Å; R26-I28 PolarHBondContact O-N 3.24Å | ||
| 27 | T | 58.5 | Low | 55.9 | Low | 128 Ų | 128 | 134.4 Ų | 134.4 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -56.4 | 100.6 | 165.6 | 28.4 | 0 | 0 | 0 | 0 | 107.6 | I25 S29 | I25-T27 PolarHBondContact O-N 3.27Å; T27-S29 VanDerWaalsContact C-N 3.26Å; T27-S29 PolarHBondContact O-N 2.74Å | ||
| 28 | I | 61.9 | Low | 57.7 | Low | 153 Ų | 153 | 135.1 Ų | 135.1 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -64.2 | 97.4 | 166.2 | -60.9 | 174.1 | 0 | 0 | 0 | 104.7 | R26 T30 | R26-I28 VanDerWaalsContact C-N 3.33Å; R26-I28 PolarHBondContact O-N 3.24Å; I28-T30 VanDerWaalsContact C-N 3.31Å; I28-T30 PolarHBondContact O-N 2.91Å | ||
| 29 | S | 62.4 | Low | 59.5 | Low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -66 | 98.9 | 167.5 | -180 | 0 | 0 | 0 | 0 | 106 | T27 G31 | T27-S29 VanDerWaalsContact C-N 3.26Å; T27-S29 PolarHBondContact O-N 2.74Å; S29-G31 PolarHBondContact O-N 3.24Å | ||
| 30 | T | 63.1 | Low | 61.7 | Low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -63.2 | 88.2 | 160.7 | 43.1 | 0 | 0 | 0 | 0 | 105.4 | I28 S32 | I28-T30 VanDerWaalsContact C-N 3.31Å; I28-T30 PolarHBondContact O-N 2.91Å; T30-S32 PolarHBondContact O-N 3.35Å | ||
| 31 | G | 61.1 | Low | 63.9 | Low | 60 Ų | 60 | 138.7 Ų | 138.7 | 62% | 0.619 | 76% | 0.759 | S | S | * | * | trans | -43.6 | 120.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108 | S29 C33 | S29-G31 PolarHBondContact O-N 3.24Å; G31-C33 PolarHBondContact O-N 2.97Å | ||
| 32 | S | 64.1 | Low | 66.1 | Low | 106 Ų | 106 | 136.2 Ų | 136.2 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | -41.5 | 116.3 | -176.4 | 51 | 0 | 0 | 0 | 0 | 108.4 | T30 C34 | T30-S32 PolarHBondContact O-N 3.35Å; S32-C34 PolarHBondContact O-N 3.34Å | ||
| 33 | C | 59.5 | Low | 68.3 | Low | 104 Ų | 104 | 136.1 Ų | 136.1 | 70% | 0.703 | 75% | 0.747 | S | S | * | * | trans | -49.7 | 119.6 | 174.1 | 56.9 | 0 | 0 | 0 | 0 | 106.1 | G31 Q35 | G31-C33 PolarHBondContact O-N 2.97Å; C33-Q35 VanDerWaalsContact C-N 3.34Å; C33-Q35 PolarHBondContact O-N 2.92Å | ||
| 34 | C | 61.5 | Low | 70.3 | Confident | 120 Ų | 120 | 133.9 Ų | 133.9 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | -54 | 105.9 | -179.9 | -62.3 | 0 | 0 | 0 | 0 | 106.4 | S32 I36 | S32-C34 PolarHBondContact O-N 3.34Å; C34-I36 PolarHBondContact O-N 3.33Å | ||
| 35 | Q | 65.6 | Low | 72.6 | Confident | 174 Ų | 174 | 137 Ų | 137 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | -63.3 | 113 | 179.5 | -66.1 | -141.6 | -18 | 0 | 0 | 105.9 | C33 R37 | C33-Q35 VanDerWaalsContact C-N 3.34Å; C33-Q35 PolarHBondContact O-N 2.92Å; Q35-R37 PolarHBondContact O-N 3.49Å | ||
| 36 | I | 66.9 | Low | 74.6 | Confident | 149 Ų | 149 | 138.4 Ų | 138.4 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -55.2 | 110.1 | 174.5 | -63.1 | 173 | 0 | 0 | 0 | 105.2 | C34 M38 | C34-I36 PolarHBondContact O-N 3.33Å; I36-M38 HydrophobicContact CG2-CG 4.14Å; I36-M38 PolarHBondContact O-N 2.95Å | ||
| 37 | R | 71.6 | Confident | 76.6 | Confident | 209 Ų | 209 | 130.9 Ų | 130.9 | 79% | 0.789 | 73% | 0.726 | S | S | * | * | trans | -76 | 68.3 | -175.4 | -156.4 | -175.7 | -167.5 | -164.9 | 1.9 | 109.3 | Q35 H39 | Q35-R37 PolarHBondContact O-N 3.49Å; R37-H39 PolarHBondContact NE-CE1 3.34Å | ||
| 38 | M | 78.4 | Confident | 78.4 | Confident | 139 Ų | 139 | 129.4 Ų | 129.4 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | trans | -84.3 | 105.5 | 164.9 | -84.9 | -161.4 | -62.9 | 0 | 0 | 107.8 | I36 A40 | I36-M38 HydrophobicContact CG2-CG 4.14Å; I36-M38 PolarHBondContact O-N 2.95Å; M38-A40 VanDerWaalsContact C-N 3.27Å; M38-A40 PolarHBondContact O-N 3.5Å | ||
| 39 | H | 79.9 | Confident | 80.1 | Confident | 156 Ų | 156 | 132.1 Ų | 132.1 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | trans | -65.3 | -30.5 | 179.3 | -69.3 | -78.6 | 0 | 0 | 0 | 112.8 | R37 | R37-H39 PolarHBondContact NE-CE1 3.34Š| ||
| 40 | A | 88.9 | Confident | 81.8 | Confident | 76 Ų | 76 | 137.1 Ų | 137.1 | 63% | 0.628 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -163.2 | 157.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | M38 | M38-A40 VanDerWaalsContact C-N 3.27Å; M38-A40 PolarHBondContact O-N 3.5Å |
| 41 | I | 89.6 | Confident | 83.4 | Confident | 149 Ų | 149 | 133.8 Ų | 133.8 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 125.9 | 168.9 | -64.4 | 166.5 | 0 | 0 | 0 | 107.9 | ||
| 42 | P | 92.9 | Very high | 85.2 | Confident | 107 Ų | 107 | 138.7 Ų | 138.7 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 147 | 176.4 | 28.3 | -34.5 | 0 | 0 | 0 | 110.2 | ||
| 43 | Q | 95 | Very high | 86.8 | Confident | 170 Ų | 170 | 141.8 Ų | 141.8 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 144.9 | 177.5 | -64.9 | -62.7 | -18.3 | 0 | 0 | 111.2 | K45 | Q43-K45 PolarHBondContact O-N 2.9Š|
| 44 | P | 95.8 | Very high | 88.6 | Confident | 98 Ų | 98 | 142.9 Ų | 142.9 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 126.6 | 178.7 | 25.7 | -33.2 | 0 | 0 | 0 | 110.2 | Q46 | P44-Q46 PolarHBondContact O-N 2.96Š|
| 45 | K | 96.8 | Very high | 90.3 | Very high | 181 Ų | 181 | 139.8 Ų | 139.8 | 79% | 0.787 | 67% | 0.67 | S | S | * | * | trans | -79.4 | 109.4 | 177.7 | -173.5 | -179.6 | -179 | 173.9 | 0 | 109.8 | Q43 V47 | Q43-K45 PolarHBondContact O-N 2.9Å; K45-V47 HydrophobicContact CD-CG2 4.07Å; K45-V47 HydrophobicContact CG-CG2 3.89Å; K45-V47 PolarHBondContact O-N 2.98Å | ||
| 46 | Q | 96.8 | Very high | 91.8 | Very high | 171 Ų | 171 | 136.5 Ų | 136.5 | 80% | 0.799 | 66% | 0.655 | S | S | * | * | trans | -70.2 | 127.6 | 169.7 | -61.1 | -59.2 | -25.3 | 0 | 0 | 109.6 | P44 | P44-Q46 PolarHBondContact O-N 2.96Š| ||
| 47 | V | 97.3 | Very high | 93.3 | Very high | 70 Ų | 70 | 137.5 Ų | 137.5 | 42% | 0.424 | 66% | 0.655 | S | S | . | * | trans | -132.1 | 113.8 | -178.7 | -178.5 | 0 | 0 | 0 | 0 | 109 | K45 R49 R54 | K45-V47 HydrophobicContact CD-CG2 4.07Å; K45-V47 HydrophobicContact CG-CG2 3.89Å; K45-V47 PolarHBondContact O-N 2.98Å; V47-R49 PolarHBondContact O-N 2.82Å; V47-R54 VanDerWaalsContact CG1-NH1 3.27Å | ||
| 48 | D | 97.6 | Very high | 94.5 | Very high | 97 Ų | 97 | 129 Ų | 129 | 52% | 0.519 | 63% | 0.632 | S | S | . | * | trans | -68.7 | 120.7 | 173.1 | 175.5 | 22 | 0 | 0 | 0 | 111 | W50 N51 R54 | D48-W50 PolarHBondContact OD1-N 3.02Å; D48-N51 PolarHBondContact OD2-N 2.96Å; D48-R54 PolarHBondContact O-NH1 2.93Å | ||
| 49 | R | 97.7 | Very high | 95.4 | Very high | 209 Ų | 209 | 126.1 Ų | 126.1 | 79% | 0.789 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -19.4 | -179.9 | -66.3 | -174.4 | 179.4 | 177.9 | 0.3 | 112.8 | V47 R54 | V47-R49 PolarHBondContact O-N 2.82Å; R49-R54 WeakPolarHBondContact O-CD 3.4Å |
| 50 | W | 97.5 | Very high | 96.2 | Very high | 210 Ų | 210 | 126 Ų | 126 | 80% | 0.795 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 24.2 | -173.8 | -67.6 | 112.4 | 0 | 0 | 0 | 113.7 | D48 S55 | D48-W50 PolarHBondContact OD1-N 3.02Å; W50-S55 PolarHBondContact O-OG 3.2Å; W50-S55 VanDerWaalsContact O-OG 3.07Å |
| 51 | N | 97.3 | Very high | 96.6 | Very high | 54 Ų | 54 | 126.8 Ų | 126.8 | 29% | 0.289 | 61% | 0.61 | S | S | . | * | trans | -61.3 | 152.4 | 173 | 72.3 | 8 | 0 | 0 | 0 | 110.9 | D48 K53 R54 S55 | D48-N51 PolarHBondContact OD2-N 2.96Å; N51-K53 PolarHBondContact O-N 2.92Å; N51-K53 VanDerWaalsContact O-N 3.13Å; N51-R54 PolarHBondContact ND2-NH1 2.88Å; N51-R54 PolarHBondContact O-N 2.89Å; N51-R54 WeakPolarHBondContact OD1-CA 3.33Å; N51-R54 WeakPolarHBondContact OD1-CB 3.46Å; N51-R54 WeakPolarHBondContact OD1-CD 3.41Å; N51-R54 WeakPolarHBondContact OD1-CG 3.33Å; N51-R54 PolarHBondContact OD1-N 3.01Å; N51-S55 WeakPolarHBondContact O-CB 3.09Å; N51-S55 PolarHBondContact O-N 3.07Å; N51-S55 PolarHBondContact O-OG 3.21Å | ||
| 52 | E | 98 | Very high | 96.9 | Very high | 164 Ų | 164 | 124.7 Ų | 124.7 | 77% | 0.766 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -51.3 | -43.4 | -176.5 | -175 | -178 | -175.9 | 0 | 0 | 112.4 | R54 S55 M56 | E52-R54 PolarHBondContact O-N 2.91Å; E52-S55 PolarHBondContact O-N 3.13Å; E52-M56 HydrophobicContact CG-CG 4.34Å; E52-M56 VanDerWaalsContact O-CB 3.3Å; E52-M56 WeakPolarHBondContact O-CB 3.05Å; E52-M56 WeakPolarHBondContact O-CG 3.05Å; E52-M56 PolarHBondContact O-N 2.9Å |
| 53 | K | 97.3 | Very high | 97.1 | Very high | 170 Ų | 170 | 122.3 Ų | 122.3 | 74% | 0.739 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.3 | -39.7 | 179.2 | -175.6 | 175.9 | -180 | 176.8 | 0 | 113.4 | N51 F57 | N51-K53 PolarHBondContact O-N 2.92Å; N51-K53 VanDerWaalsContact O-N 3.13Å; K53-F57 WeakPolarHBondContact O-CB 3.46Å; K53-F57 PolarHBondContact O-N 2.66Å |
| 54 | R | 97.5 | Very high | 97.2 | Very high | 128 Ų | 128 | 114.5 Ų | 114.5 | 48% | 0.483 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -77.2 | -42.9 | 178.3 | -75.7 | 172.2 | 172.2 | 124.2 | 0.9 | 110.8 | V47 D48 R49 N51 E52 M56 F57 | V47-R54 VanDerWaalsContact CG1-NH1 3.27Å; D48-R54 PolarHBondContact O-NH1 2.93Å; R49-R54 WeakPolarHBondContact O-CD 3.4Å; N51-R54 PolarHBondContact ND2-NH1 2.88Å; N51-R54 PolarHBondContact O-N 2.89Å; N51-R54 WeakPolarHBondContact OD1-CA 3.33Å; N51-R54 WeakPolarHBondContact OD1-CB 3.46Å; N51-R54 WeakPolarHBondContact OD1-CD 3.41Å; N51-R54 WeakPolarHBondContact OD1-CG 3.33Å; N51-R54 PolarHBondContact OD1-N 3.01Å; E52-R54 PolarHBondContact O-N 2.91Å; R54-M56 VanDerWaalsContact C-N 3.3Å; R54-M56 PolarHBondContact O-N 2.82Å; R54-F57 PolarHBondContact O-N 3.36Å |
| 55 | S | 97.7 | Very high | 97.2 | Very high | 55 Ų | 55 | 115.8 Ų | 115.8 | 39% | 0.385 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 179 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | W50 N51 E52 | W50-S55 PolarHBondContact O-OG 3.2Å; W50-S55 VanDerWaalsContact O-OG 3.07Å; N51-S55 WeakPolarHBondContact O-CB 3.09Å; N51-S55 PolarHBondContact O-N 3.07Å; N51-S55 PolarHBondContact O-OG 3.21Å; E52-S55 PolarHBondContact O-N 3.13Å |
| 56 | M | 98 | Very high | 97.2 | Very high | 104 Ų | 104 | 114 Ų | 114 | 51% | 0.512 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 6.1 | -178 | -59.8 | -58.3 | -69.9 | 0 | 0 | 114.1 | E52 R54 G58 V59 | E52-M56 HydrophobicContact CG-CG 4.34Å; E52-M56 VanDerWaalsContact O-CB 3.3Å; E52-M56 WeakPolarHBondContact O-CB 3.05Å; E52-M56 WeakPolarHBondContact O-CG 3.05Å; E52-M56 PolarHBondContact O-N 2.9Å; R54-M56 VanDerWaalsContact C-N 3.3Å; R54-M56 PolarHBondContact O-N 2.82Å; M56-G58 PolarHBondContact O-N 3.49Å; M56-V59 HydrophobicContact CB-CG2 4.49Å; M56-V59 HydrophobicContact CE-CG2 4.17Å; M56-V59 VanDerWaalsContact O-CG2 3.31Å; M56-V59 WeakPolarHBondContact O-CG2 3.49Å; M56-V59 HydrophobicContact SD-CG2 4.49Å |
| 57 | F | 97.7 | Very high | 97.1 | Very high | 171 Ų | 171 | 106.9 Ų | 106.9 | 75% | 0.75 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 127.8 | -177.7 | -175.4 | -100.2 | 0 | 0 | 0 | 111.4 | K53 R54 V59 | K53-F57 WeakPolarHBondContact O-CB 3.46Å; K53-F57 PolarHBondContact O-N 2.66Å; R54-F57 PolarHBondContact O-N 3.36Å; F57-V59 VanDerWaalsContact C-N 3.33Å; F57-V59 PolarHBondContact O-N 3.48Å |
| 58 | G | 96.5 | Very high | 97.1 | Very high | 30 Ų | 30 | 109.4 Ų | 109.4 | 31% | 0.309 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 2.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | M56 Y60 D61 | M56-G58 PolarHBondContact O-N 3.49Å; G58-Y60 PolarHBondContact O-N 3.46Å; G58-Y60 VanDerWaalsContact O-N 3.12Å; G58-D61 WeakPolarHBondContact CA-OD2 3.4Å; G58-D61 PolarHBondContact O-N 3.21Å |
| 59 | V | 97.6 | Very high | 97 | Very high | 79 Ų | 79 | 112.2 Ų | 112.2 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -36.2 | -176.9 | 171.2 | 0 | 0 | 0 | 0 | 113 | M56 F57 | M56-V59 HydrophobicContact CB-CG2 4.49Å; M56-V59 HydrophobicContact CE-CG2 4.17Å; M56-V59 VanDerWaalsContact O-CG2 3.31Å; M56-V59 WeakPolarHBondContact O-CG2 3.49Å; M56-V59 HydrophobicContact SD-CG2 4.49Å; F57-V59 VanDerWaalsContact C-N 3.33Å; F57-V59 PolarHBondContact O-N 3.48Å |
| 60 | Y | 97.2 | Very high | 96.9 | Very high | 152 Ų | 152 | 110.6 Ų | 110.6 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 17.5 | -175.5 | -59.3 | -64.1 | 0 | 0 | 0 | 114.5 | G58 N62 I63 L76 | G58-Y60 PolarHBondContact O-N 3.46Å; G58-Y60 VanDerWaalsContact O-N 3.12Å; Y60-N62 VanDerWaalsContact C-N 3.29Å; Y60-N62 PolarHBondContact O-N 3.14Å; Y60-I63 WeakPolarHBondContact O-CB 3.36Å; Y60-I63 WeakPolarHBondContact O-CG2 3.21Å; Y60-I63 PolarHBondContact O-N 3.35Å; Y60-L76 WeakPolarHBondContact O-CD1 3.41Å |
| 61 | D | 96.9 | Very high | 96.8 | Very high | 94 Ų | 94 | 102.3 Ų | 102.3 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -30.1 | -175.8 | -74.2 | -4.8 | 0 | 0 | 0 | 112.9 | G58 P73 | G58-D61 WeakPolarHBondContact CA-OD2 3.4Å; G58-D61 PolarHBondContact O-N 3.21Å; D61-P73 WeakPolarHBondContact O-CG 3.47Å |
| 62 | N | 96.7 | Very high | 96.8 | Very high | 105 Ų | 105 | 104.7 Ų | 104.7 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 17.9 | -179.2 | -63.5 | -41.1 | 0 | 0 | 0 | 113.6 | Y60 G64 I65 L66 | Y60-N62 VanDerWaalsContact C-N 3.29Å; Y60-N62 PolarHBondContact O-N 3.14Å; N62-G64 PolarHBondContact O-N 3.33Å; N62-I65 PolarHBondContact O-N 3.42Å; N62-I65 VanDerWaalsContact O-N 3.17Å; N62-L66 HydrophobicContact CB-CD1 4.21Å; N62-L66 HydrophobicContact CB-CG 4.49Å; N62-L66 PolarHBondContact O-N 2.98Å; N62-L66 VanDerWaalsContact O-N 3.12Å |
| 63 | I | 96.6 | Very high | 96.7 | Very high | 56 Ų | 56 | 98.8 Ų | 98.8 | 29% | 0.287 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.4 | -27.6 | -177.3 | -164.9 | 165.1 | 0 | 0 | 0 | 113.4 | Y60 G67 L76 | Y60-I63 WeakPolarHBondContact O-CB 3.36Å; Y60-I63 WeakPolarHBondContact O-CG2 3.21Å; Y60-I63 PolarHBondContact O-N 3.35Å; I63-G67 WeakPolarHBondContact O-CA 3.48Å; I63-G67 PolarHBondContact O-N 3.49Å; I63-L76 HydrophobicContact CG2-CD1 3.88Å |
| 64 | G | 96.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 95.2 Ų | 95.2 | 6% | 0.062 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -65.4 | -53.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | N62 F69 A71 | N62-G64 PolarHBondContact O-N 3.33Å; G64-F69 VanDerWaalsContact O-CA 3.27Å; G64-F69 WeakPolarHBondContact O-CA 3.42Å; G64-F69 WeakPolarHBondContact O-CD1 3.3Å; G64-F69 WeakPolarHBondContact O-CG 3.37Å; G64-F69 PolarHBondContact O-N 3Å; G64-A71 WeakPolarHBondContact CA-O 3.38Å |
| 65 | I | 97.2 | Very high | 96.5 | Very high | 125 Ų | 125 | 93.1 Ų | 93.1 | 64% | 0.641 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72 | -37.6 | -175.2 | -58.3 | 170.8 | 0 | 0 | 0 | 110.9 | N62 F69 | N62-I65 PolarHBondContact O-N 3.42Å; N62-I65 VanDerWaalsContact O-N 3.17Å; I65-F69 HydrophobicContact CG1-CE1 4.2Å; I65-F69 HydrophobicContact CG1-CZ 4.34Å |
| 66 | L | 96.8 | Very high | 96.4 | Very high | 145 Ų | 145 | 94.7 Ų | 94.7 | 76% | 0.759 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -89.5 | -9.9 | -177.6 | -59.8 | 177.7 | 0 | 0 | 0 | 113.9 | N62 | N62-L66 HydrophobicContact CB-CD1 4.21Å; N62-L66 HydrophobicContact CB-CG 4.49Å; N62-L66 PolarHBondContact O-N 2.98Å; N62-L66 VanDerWaalsContact O-N 3.12Å |
| 67 | G | 94.7 | Very high | 96.3 | Very high | 21 Ų | 21 | 94 Ų | 94 | 22% | 0.216 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 36.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I63 F69 K70 | I63-G67 WeakPolarHBondContact O-CA 3.48Å; I63-G67 PolarHBondContact O-N 3.49Å; G67-F69 PolarHBondContact O-N 2.87Å; G67-F69 VanDerWaalsContact O-N 3.09Å; G67-K70 WeakPolarHBondContact O-CB 3.49Å; G67-K70 WeakPolarHBondContact O-CG 3.44Å; G67-K70 PolarHBondContact O-N 3.4Å; G67-K70 VanDerWaalsContact O-N 3.11Å |
| 68 | D | 96.9 | Very high | 96.3 | Very high | 122 Ų | 122 | 92.8 Ų | 92.8 | 65% | 0.652 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 29.7 | 177.5 | -46.4 | -45.4 | 0 | 0 | 0 | 114.1 | K70 | D68-K70 HydrophobicContact CB-CG 4.41Å; D68-K70 PolarHBondContact O-N 3.34Å; D68-K70 VanDerWaalsContact O-N 3.09Å; D68-K70 IonicContact OD2-NZ 2.7Å; D68-K70 PolarHBondContact OD2-NZ 2.96Å |
| 69 | F | 95.6 | Very high | 96.2 | Very high | 157 Ų | 157 | 93.1 Ų | 93.1 | 69% | 0.689 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 24.6 | -176 | -58.4 | -82.2 | 0 | 0 | 0 | 115.2 | G64 I65 G67 A71 | G64-F69 VanDerWaalsContact O-CA 3.27Å; G64-F69 WeakPolarHBondContact O-CA 3.42Å; G64-F69 WeakPolarHBondContact O-CD1 3.3Å; G64-F69 WeakPolarHBondContact O-CG 3.37Å; G64-F69 PolarHBondContact O-N 3Å; I65-F69 HydrophobicContact CG1-CE1 4.2Å; I65-F69 HydrophobicContact CG1-CZ 4.34Å; G67-F69 PolarHBondContact O-N 2.87Å; G67-F69 VanDerWaalsContact O-N 3.09Å; F69-A71 PolarHBondContact O-N 2.89Å |
| 70 | K | 95.8 | Very high | 96.2 | Very high | 174 Ų | 174 | 92.5 Ų | 92.5 | 76% | 0.757 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -63.3 | -28.2 | 177.5 | -68.7 | 172.5 | -173.9 | 161.6 | 0 | 113.5 | G67 D68 | G67-K70 WeakPolarHBondContact O-CB 3.49Å; G67-K70 WeakPolarHBondContact O-CG 3.44Å; G67-K70 PolarHBondContact O-N 3.4Å; G67-K70 VanDerWaalsContact O-N 3.11Å; D68-K70 HydrophobicContact CB-CG 4.41Å; D68-K70 PolarHBondContact O-N 3.34Å; D68-K70 VanDerWaalsContact O-N 3.09Å; D68-K70 IonicContact OD2-NZ 2.7Å; D68-K70 PolarHBondContact OD2-NZ 2.96Å |
| 71 | A | 95.4 | Very high | 96.1 | Very high | 37 Ų | 37 | 88.8 Ų | 88.8 | 31% | 0.306 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -139.1 | 144.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G64 F69 | G64-A71 WeakPolarHBondContact CA-O 3.38Å; F69-A71 PolarHBondContact O-N 2.89Å |
| 72 | H | 96.3 | Very high | 96.1 | Very high | 104 Ų | 104 | 86.5 Ų | 86.5 | 48% | 0.481 | 46% | 0.464 | S | S | . | . | trans | -96.8 | 139.1 | 174.8 | -171.1 | -76.4 | 0 | 0 | 0 | 110 | K74 D75 | H72-K74 HydrophobicContact CB-CD 4.35Å; H72-K74 HydrophobicContact CB-CG 4.14Å; H72-K74 WeakPolarHBondContact ND1-CB 3.13Å; H72-K74 WeakPolarHBondContact ND1-CD 3.48Å; H72-K74 WeakPolarHBondContact ND1-CG 3.17Å; H72-K74 PolarHBondContact ND1-N 3.03Å; H72-K74 VanDerWaalsContact ND1-N 3.18Å; H72-K74 PolarHBondContact O-N 3.42Å; H72-D75 VanDerWaalsContact O-CB 3.31Å; H72-D75 WeakPolarHBondContact O-CB 3.45Å; H72-D75 PolarHBondContact O-N 3.07Å | ||
| 73 | P | 96.6 | Very high | 96.1 | Very high | 39 Ų | 39 | 84 Ų | 84 | 25% | 0.253 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -54.6 | -30.5 | -177.2 | -29.6 | 36.1 | 0 | 0 | 0 | 114.9 | D61 D75 L76 | D61-P73 WeakPolarHBondContact O-CG 3.47Å; P73-D75 PolarHBondContact O-N 3.4Å; P73-D75 VanDerWaalsContact O-N 3.09Å; P73-L76 WeakPolarHBondContact O-CB 3.15Å; P73-L76 PolarHBondContact O-N 3.13Å |
| 74 | K | 95.9 | Very high | 96.1 | Very high | 96 Ų | 96 | 85 Ų | 85 | 42% | 0.417 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -52.4 | -28.9 | 171.6 | 80.2 | -168.1 | 172.3 | -173.8 | 0 | 113.7 | H72 K84 | H72-K74 HydrophobicContact CB-CD 4.35Å; H72-K74 HydrophobicContact CB-CG 4.14Å; H72-K74 WeakPolarHBondContact ND1-CB 3.13Å; H72-K74 WeakPolarHBondContact ND1-CD 3.48Å; H72-K74 WeakPolarHBondContact ND1-CG 3.17Å; H72-K74 PolarHBondContact ND1-N 3.03Å; H72-K74 VanDerWaalsContact ND1-N 3.18Å; H72-K74 PolarHBondContact O-N 3.42Å; K74-K84 WeakPolarHBondContact O-CE 3.37Å; K74-K84 WeakPolarHBondContact O-CG 3.32Å |
| 75 | D | 94.8 | Very high | 96 | Very high | 84 Ų | 84 | 87.5 Ų | 87.5 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -80.3 | -21.6 | -177.1 | -58.3 | -39.4 | 0 | 0 | 0 | 112 | H72 P73 I77 K84 | H72-D75 VanDerWaalsContact O-CB 3.31Å; H72-D75 WeakPolarHBondContact O-CB 3.45Å; H72-D75 PolarHBondContact O-N 3.07Å; P73-D75 PolarHBondContact O-N 3.4Å; P73-D75 VanDerWaalsContact O-N 3.09Å; D75-I77 VanDerWaalsContact C-N 3.35Å; D75-K84 VanDerWaalsContact O-CE 3.29Å; D75-K84 WeakPolarHBondContact O-CE 3.34Å; D75-K84 PolarHBondContact O-NZ 2.92Å |
| 76 | L | 95.5 | Very high | 96 | Very high | 88 Ų | 88 | 84.5 Ų | 84.5 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -77.5 | -20.9 | 173.5 | -58.7 | 176.4 | 0 | 0 | 0 | 112.8 | Y60 I63 P73 T78 | Y60-L76 WeakPolarHBondContact O-CD1 3.41Å; I63-L76 HydrophobicContact CG2-CD1 3.88Å; P73-L76 WeakPolarHBondContact O-CB 3.15Å; P73-L76 PolarHBondContact O-N 3.13Å; L76-T78 PolarHBondContact O-N 3.39Å |
| 77 | I | 96.2 | Very high | 96 | Very high | 88 Ų | 88 | 89.3 Ų | 89.3 | 45% | 0.451 | 47% | 0.469 | S | S | . | . | trans | -68.7 | 122.5 | -177.1 | -58.5 | 175.4 | 0 | 0 | 0 | 110.3 | D75 A79 K84 | D75-I77 VanDerWaalsContact C-N 3.35Å; I77-A79 HydrophobicContact CG2-CB 3.89Å; I77-A79 PolarHBondContact O-N 2.99Å; I77-K84 WeakPolarHBondContact O-CE 3.48Å | ||
| 78 | T | 96.3 | Very high | 96.2 | Very high | 147 Ų | 147 | 89.3 Ų | 89.3 | 90% | 0.902 | 47% | 0.469 | S | S | * | . | trans | -83.3 | 101.7 | 168.6 | -59.2 | 0 | 0 | 0 | 0 | 109.2 | L76 | L76-T78 PolarHBondContact O-N 3.39Š| ||
| 79 | A | 95.5 | Very high | 96.2 | Very high | 37 Ų | 37 | 86.9 Ų | 86.9 | 31% | 0.306 | 46% | 0.456 | S | S | . | . | trans | -149.7 | 162.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I77 C81 K84 | I77-A79 HydrophobicContact CG2-CB 3.89Å; I77-A79 PolarHBondContact O-N 2.99Å; A79-C81 PolarHBondContact O-N 2.81Å; A79-K84 HydrophobicContact CB-CB 4.37Å | ||
| 80 | P | 96.9 | Very high | 96.3 | Very high | 65 Ų | 65 | 82.5 Ų | 82.5 | 42% | 0.422 | 44% | 0.437 | S | S | . | . | trans | -52.5 | 141 | 170 | -24.8 | 33.9 | 0 | 0 | 0 | 111.2 | W82 L83 K84 | P80-W82 HydrophobicContact CB-CD2 4.25Å; P80-W82 HydrophobicContact CB-CG 4.38Å; P80-W82 HydrophobicContact CB-CZ2 4Å; P80-W82 HydrophobicContact CG-CZ2 4.19Å; P80-W82 PolarHBondContact O-N 3.33Å; P80-L83 HydrophobicContact CB-CB 4.43Å; P80-L83 WeakPolarHBondContact O-CA 3.43Å; P80-L83 PolarHBondContact O-N 3.46Å; P80-K84 PolarHBondContact O-N 2.93Å | ||
| 81 | C | 95.3 | Very high | 96.4 | Very high | 74 Ų | 74 | 75 Ų | 75 | 50% | 0.5 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -30.3 | -175.5 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | A79 L83 | A79-C81 PolarHBondContact O-N 2.81Å; C81-L83 VanDerWaalsContact C-N 3.29Å; C81-L83 PolarHBondContact O-N 3.06Å |
| 82 | W | 96.4 | Very high | 96.6 | Very high | 47 Ų | 47 | 78 Ų | 78 | 18% | 0.178 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -8.9 | 176.8 | 57.2 | -93.6 | 0 | 0 | 0 | 114 | P80 R93 R96 K97 M100 | P80-W82 HydrophobicContact CB-CD2 4.25Å; P80-W82 HydrophobicContact CB-CG 4.38Å; P80-W82 HydrophobicContact CB-CZ2 4Å; P80-W82 HydrophobicContact CG-CZ2 4.19Å; P80-W82 PolarHBondContact O-N 3.33Å; W82-R93 HydrophobicContact CZ3-CB 4.27Å; W82-R96 HydrophobicContact CB-CG 4.44Å; W82-R96 WeakPolarHBondContact O-CD 3.17Å; W82-R96 PolarHBondContact O-NE 2.95Å; W82-K97 HydrophobicContact CD2-CB 3.85Å; W82-K97 HydrophobicContact CD2-CD 4.3Å; W82-K97 HydrophobicContact CD2-CG 3.94Å; W82-K97 HydrophobicContact CE3-CB 3.98Å; W82-K97 HydrophobicContact CE3-CG 4.48Å; W82-K97 HydrophobicContact CG-CB 4.13Å; W82-K97 HydrophobicContact CG-CG 4.14Å; W82-K97 HydrophobicContact CH2-CD 4.29Å; W82-K97 HydrophobicContact CZ2-CD 3.84Å; W82-K97 HydrophobicContact CZ2-CG 4.39Å; W82-M100 VanDerWaalsContact CA-SD 3.6Å; W82-M100 HydrophobicContact CB-CB 4.19Å; W82-M100 HydrophobicContact CB-CE 4.42Å; W82-M100 HydrophobicContact CB-SD 3.77Å |
| 83 | L | 96.9 | Very high | 96.7 | Very high | 51 Ų | 51 | 77.9 Ų | 77.9 | 27% | 0.267 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -21.5 | -179.6 | -167.1 | 65.1 | 0 | 0 | 0 | 113.5 | P80 C81 G85 F86 R93 | P80-L83 HydrophobicContact CB-CB 4.43Å; P80-L83 WeakPolarHBondContact O-CA 3.43Å; P80-L83 PolarHBondContact O-N 3.46Å; C81-L83 VanDerWaalsContact C-N 3.29Å; C81-L83 PolarHBondContact O-N 3.06Å; L83-G85 PolarHBondContact O-N 2.94Å; L83-F86 PolarHBondContact O-N 3Å; L83-R93 HydrophobicContact CD1-CG 4.17Å |
| 84 | K | 96.5 | Very high | 96.8 | Very high | 79 Ų | 79 | 77.5 Ų | 77.5 | 34% | 0.343 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 120.9 | 179.8 | -169.5 | 172.7 | -179.7 | 175.1 | 0 | 110.7 | K74 D75 I77 A79 P80 F86 | K74-K84 WeakPolarHBondContact O-CE 3.37Å; K74-K84 WeakPolarHBondContact O-CG 3.32Å; D75-K84 VanDerWaalsContact O-CE 3.29Å; D75-K84 WeakPolarHBondContact O-CE 3.34Å; D75-K84 PolarHBondContact O-NZ 2.92Å; I77-K84 WeakPolarHBondContact O-CE 3.48Å; A79-K84 HydrophobicContact CB-CB 4.37Å; P80-K84 PolarHBondContact O-N 2.93Å; K84-F86 PolarHBondContact O-N 3.38Å |
| 85 | G | 95.1 | Very high | 96.9 | Very high | 57 Ų | 57 | 77 Ų | 77 | 59% | 0.588 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 17.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L83 | L83-G85 PolarHBondContact O-N 2.94Š|
| 86 | F | 97.2 | Very high | 97.1 | Very high | 63 Ų | 63 | 77.3 Ų | 77.3 | 28% | 0.276 | 40% | 0.4 | S | S | . | . | trans | -122 | 129.4 | -177.4 | 179.5 | -100.5 | 0 | 0 | 0 | 111.8 | L83 K84 Q92 R93 | L83-F86 PolarHBondContact O-N 3Å; K84-F86 PolarHBondContact O-N 3.38Å; F86-Q92 HydrophobicContact CZ-CB 4.26Å; F86-R93 HydrophobicContact CD1-CG 4.37Å; F86-R93 HydrophobicContact CE1-CG 3.99Å | ||
| 87 | R | 96.9 | Very high | 97.2 | Very high | 245 Ų | 245 | 76 Ų | 76 | 93% | 0.925 | 39% | 0.391 | S | S | * | . | trans | -118.9 | 128.4 | 171.4 | -174.1 | -179.7 | 178.2 | -160.1 | -0.1 | 109.1 | ||||
| 88 | G | 97.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 75.9 Ų | 75.9 | 23% | 0.227 | 39% | 0.387 | C | S | . | . | trans | -165.8 | 165.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 89 | N | 97.7 | Very high | 97.4 | Very high | 70 Ų | 70 | 77.7 Ų | 77.7 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | trans | -67.4 | 172.8 | 175.3 | 70.8 | 26.2 | 0 | 0 | 0 | 111.1 | L91 Q92 R93 | N89-L91 VanDerWaalsContact C-N 3.32Å; N89-L91 PolarHBondContact O-N 3.48Å; N89-L91 PolarHBondContact OD1-N 2.7Å; N89-Q92 PolarHBondContact O-N 3.34Å; N89-Q92 WeakPolarHBondContact OD1-CB 3.48Å; N89-Q92 VanDerWaalsContact OD1-CG 3.28Å; N89-Q92 WeakPolarHBondContact OD1-CG 3.37Å; N89-Q92 PolarHBondContact OD1-N 3.38Å; N89-R93 WeakPolarHBondContact O-CG 3.31Å; N89-R93 PolarHBondContact O-N 3.48Å | ||
| 90 | E | 98.3 | Very high | 97.5 | Very high | 65 Ų | 65 | 79.5 Ų | 79.5 | 30% | 0.304 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56.7 | -45.1 | -178.1 | -167.4 | -171.7 | 164.1 | 0 | 0 | 112.6 | Q92 R93 L94 R116 L120 | E90-Q92 PolarHBondContact O-N 2.85Å; E90-R93 PolarHBondContact O-N 2.91Å; E90-L94 HydrophobicContact CG-CD1 4.12Å; E90-L94 HydrophobicContact CG-CG 4.44Å; E90-L94 VanDerWaalsContact O-CG 3.32Å; E90-L94 WeakPolarHBondContact O-CG 3.29Å; E90-L94 PolarHBondContact O-N 2.71Å; E90-R116 VanDerWaalsContact CD-NH2 3.3Å; E90-R116 IonicContact OE1-CZ 2.71Å; E90-R116 VanDerWaalsContact OE1-CZ 3.25Å; E90-R116 IonicContact OE1-NE 2.97Å; E90-R116 PolarHBondContact OE1-NE 3.42Å; E90-R116 IonicContact OE1-NH2 2.82Å; E90-R116 PolarHBondContact OE1-NH2 3.37Å; E90-R116 IonicContact OE2-CZ 3.85Å; E90-R116 IonicContact OE2-NE 3.31Å; E90-R116 IonicContact OE2-NH2 3.76Å; E90-R116 PolarHBondContact OE2-NH2 3.49Å; E90-L120 HydrophobicContact CB-CD1 4.02Å; E90-L120 HydrophobicContact CG-CD1 3.76Å |
| 91 | L | 98.5 | Very high | 97.5 | Very high | 18 Ų | 18 | 77.4 Ų | 77.4 | 9% | 0.094 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60 | -47.7 | 179.9 | 177.4 | 61 | 0 | 0 | 0 | 111.5 | N89 R93 L94 I95 I117 L120 F124 | N89-L91 VanDerWaalsContact C-N 3.32Å; N89-L91 PolarHBondContact O-N 3.48Å; N89-L91 PolarHBondContact OD1-N 2.7Å; L91-R93 PolarHBondContact O-N 3.21Å; L91-L94 PolarHBondContact O-N 2.97Å; L91-I95 HydrophobicContact CD1-CD1 3.82Å; L91-I95 HydrophobicContact CD1-CG1 4.21Å; L91-I95 HydrophobicContact CG-CD1 3.86Å; L91-I95 VanDerWaalsContact O-CG1 3.29Å; L91-I95 WeakPolarHBondContact O-CG1 3.41Å; L91-I95 PolarHBondContact O-N 3.47Å; L91-I117 HydrophobicContact CD1-CB 4.48Å; L91-I117 HydrophobicContact CD1-CG2 3.98Å; L91-L120 HydrophobicContact CB-CB 4.22Å; L91-L120 HydrophobicContact CB-CD1 4.28Å; L91-L120 HydrophobicContact CD1-CB 4.03Å; L91-F124 HydrophobicContact CB-CD2 4.07Å; L91-F124 HydrophobicContact CB-CE2 3.76Å; L91-F124 HydrophobicContact CD2-CD2 3.89Å; L91-F124 HydrophobicContact CD2-CE2 4.45Å |
| 92 | Q | 98.5 | Very high | 97.6 | Very high | 98 Ų | 98 | 74 Ų | 74 | 46% | 0.458 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 177.8 | -71.2 | 167.9 | -18.1 | 0 | 0 | 111.8 | F86 N89 E90 L94 I95 R96 | F86-Q92 HydrophobicContact CZ-CB 4.26Å; N89-Q92 PolarHBondContact O-N 3.34Å; N89-Q92 WeakPolarHBondContact OD1-CB 3.48Å; N89-Q92 VanDerWaalsContact OD1-CG 3.28Å; N89-Q92 WeakPolarHBondContact OD1-CG 3.37Å; N89-Q92 PolarHBondContact OD1-N 3.38Å; E90-Q92 PolarHBondContact O-N 2.85Å; Q92-L94 PolarHBondContact O-N 3.48Å; Q92-I95 PolarHBondContact O-N 3.28Å; Q92-R96 WeakPolarHBondContact O-CB 3.01Å; Q92-R96 PolarHBondContact O-N 2.93Å |
| 93 | R | 98.4 | Very high | 97.6 | Very high | 103 Ų | 103 | 78.9 Ų | 78.9 | 39% | 0.389 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 176.4 | -74 | -171.7 | -65.7 | 166.5 | 1.1 | 111.9 | W82 L83 F86 N89 E90 L91 R96 K97 | W82-R93 HydrophobicContact CZ3-CB 4.27Å; L83-R93 HydrophobicContact CD1-CG 4.17Å; F86-R93 HydrophobicContact CD1-CG 4.37Å; F86-R93 HydrophobicContact CE1-CG 3.99Å; N89-R93 WeakPolarHBondContact O-CG 3.31Å; N89-R93 PolarHBondContact O-N 3.48Å; E90-R93 PolarHBondContact O-N 2.91Å; L91-R93 PolarHBondContact O-N 3.21Å; R93-R96 PolarHBondContact O-N 3.49Å; R93-K97 WeakPolarHBondContact O-CB 3.48Å; R93-K97 PolarHBondContact O-N 3.46Å |
| 94 | L | 98.4 | Very high | 97.6 | Very high | 30 Ų | 30 | 86 Ų | 86 | 16% | 0.157 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69 | -41.3 | 179.3 | -68.5 | 175.4 | 0 | 0 | 0 | 112.4 | E90 L91 Q92 R96 K97 K98 L113 R116 I117 L120 | E90-L94 HydrophobicContact CG-CD1 4.12Å; E90-L94 HydrophobicContact CG-CG 4.44Å; E90-L94 VanDerWaalsContact O-CG 3.32Å; E90-L94 WeakPolarHBondContact O-CG 3.29Å; E90-L94 PolarHBondContact O-N 2.71Å; L91-L94 PolarHBondContact O-N 2.97Å; Q92-L94 PolarHBondContact O-N 3.48Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 3.37Å; L94-K97 PolarHBondContact O-N 3Å; L94-K98 WeakPolarHBondContact O-CB 3.38Å; L94-K98 PolarHBondContact O-N 3.33Å; L94-L113 HydrophobicContact CD2-CD1 4.36Å; L94-L113 HydrophobicContact CD2-CG 4.28Å; L94-R116 HydrophobicContact CD1-CB 4Å; L94-R116 HydrophobicContact CD1-CG 3.39Å; L94-I117 HydrophobicContact CB-CD1 4.03Å; L94-I117 HydrophobicContact CB-CG1 3.65Å; L94-I117 HydrophobicContact CD1-CG1 4.34Å; L94-L120 HydrophobicContact CD1-CD1 3.78Å |
| 95 | I | 98.4 | Very high | 97.7 | Very high | 87 Ų | 87 | 84.2 Ų | 84.2 | 45% | 0.446 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 174.5 | -69.7 | 167.6 | 0 | 0 | 0 | 110.1 | L91 Q92 K98 K99 I117 | L91-I95 HydrophobicContact CD1-CD1 3.82Å; L91-I95 HydrophobicContact CD1-CG1 4.21Å; L91-I95 HydrophobicContact CG-CD1 3.86Å; L91-I95 VanDerWaalsContact O-CG1 3.29Å; L91-I95 WeakPolarHBondContact O-CG1 3.41Å; L91-I95 PolarHBondContact O-N 3.47Å; Q92-I95 PolarHBondContact O-N 3.28Å; I95-K98 WeakPolarHBondContact O-CB 3.47Å; I95-K98 PolarHBondContact O-N 3.38Å; I95-K99 PolarHBondContact O-N 3.28Å; I95-I117 HydrophobicContact CG1-CD1 4.14Å; I95-I117 HydrophobicContact CG1-CG2 4.3Å |
| 96 | R | 98.4 | Very high | 97.8 | Very high | 89 Ų | 89 | 85.3 Ų | 85.3 | 34% | 0.336 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 177.2 | -174.3 | 172.7 | 175.9 | 84.1 | 2.9 | 112.1 | W82 Q92 R93 L94 K98 K99 M100 | W82-R96 HydrophobicContact CB-CG 4.44Å; W82-R96 WeakPolarHBondContact O-CD 3.17Å; W82-R96 PolarHBondContact O-NE 2.95Å; Q92-R96 WeakPolarHBondContact O-CB 3.01Å; Q92-R96 PolarHBondContact O-N 2.93Å; R93-R96 PolarHBondContact O-N 3.49Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 3.37Å; R96-K98 PolarHBondContact O-N 2.72Å; R96-K99 PolarHBondContact O-N 3.04Å; R96-M100 HydrophobicContact CG-CG 4.43Å; R96-M100 HydrophobicContact CG-SD 3.69Å; R96-M100 WeakPolarHBondContact O-CB 3.11Å; R96-M100 WeakPolarHBondContact O-CG 3.33Å; R96-M100 PolarHBondContact O-N 3.47Å |
| 97 | K | 98.4 | Very high | 97.8 | Very high | 61 Ų | 61 | 87.9 Ų | 87.9 | 27% | 0.265 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 174.6 | -174.3 | 178.5 | 178.4 | -178.9 | 0 | 111 | W82 R93 L94 K99 M100 V101 G102 M105 L113 | W82-K97 HydrophobicContact CD2-CB 3.85Å; W82-K97 HydrophobicContact CD2-CD 4.3Å; W82-K97 HydrophobicContact CD2-CG 3.94Å; W82-K97 HydrophobicContact CE3-CB 3.98Å; W82-K97 HydrophobicContact CE3-CG 4.48Å; W82-K97 HydrophobicContact CG-CB 4.13Å; W82-K97 HydrophobicContact CG-CG 4.14Å; W82-K97 HydrophobicContact CH2-CD 4.29Å; W82-K97 HydrophobicContact CZ2-CD 3.84Å; W82-K97 HydrophobicContact CZ2-CG 4.39Å; R93-K97 WeakPolarHBondContact O-CB 3.48Å; R93-K97 PolarHBondContact O-N 3.46Å; L94-K97 PolarHBondContact O-N 3Å; K97-K99 VanDerWaalsContact C-N 3.35Å; K97-K99 PolarHBondContact O-N 3.33Å; K97-M100 PolarHBondContact O-N 2.96Å; K97-V101 HydrophobicContact CG-CG2 3.53Å; K97-V101 WeakPolarHBondContact O-CG2 3.29Å; K97-V101 PolarHBondContact O-N 2.99Å; K97-G102 PolarHBondContact O-N 2.9Å; K97-M105 HydrophobicContact CG-SD 4.5Å; K97-L113 HydrophobicContact CB-CD1 4.37Å; K97-L113 HydrophobicContact CD-CD1 3.88Å; K97-L113 HydrophobicContact CG-CD1 4.08Å |
| 98 | K | 98.1 | Very high | 97.9 | Very high | 86 Ų | 86 | 81.4 Ų | 81.4 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -55.9 | -48.4 | 175.4 | -168.4 | 179.8 | 177.2 | 176.8 | 0 | 111.4 | L94 I95 R96 M100 G102 L113 E114 I117 | L94-K98 WeakPolarHBondContact O-CB 3.38Å; L94-K98 PolarHBondContact O-N 3.33Å; I95-K98 WeakPolarHBondContact O-CB 3.47Å; I95-K98 PolarHBondContact O-N 3.38Å; R96-K98 PolarHBondContact O-N 2.72Å; K98-M100 PolarHBondContact O-N 3.18Å; K98-G102 WeakPolarHBondContact O-CA 3.33Å; K98-G102 PolarHBondContact O-N 3.25Å; K98-L113 HydrophobicContact CB-CD2 3.73Å; K98-L113 HydrophobicContact CD-CD2 4.25Å; K98-L113 HydrophobicContact CG-CD2 4.06Å; K98-E114 HydrophobicContact CD-CG 4.36Å; K98-E114 WeakPolarHBondContact CE-OE1 3.45Å; K98-E114 IonicContact NZ-OE1 3.25Å; K98-E114 PolarHBondContact NZ-OE1 2.88Å; K98-I117 HydrophobicContact CB-CD1 4.3Å; K98-I117 HydrophobicContact CD-CD1 4.17Å |
| 99 | K | 97.9 | Very high | 97.9 | Very high | 184 Ų | 184 | 84.2 Ų | 84.2 | 80% | 0.8 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.3 | -36.6 | -177.8 | -173.3 | 177.6 | 179.4 | 179.5 | 0 | 113.3 | I95 R96 K97 | I95-K99 PolarHBondContact O-N 3.28Å; R96-K99 PolarHBondContact O-N 3.04Å; K97-K99 VanDerWaalsContact C-N 3.35Å; K97-K99 PolarHBondContact O-N 3.33Å |
| 100 | M | 97.9 | Very high | 98 | Very high | 75 Ų | 75 | 86.3 Ų | 86.3 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -94.3 | -33.8 | -171.1 | -67 | -179.3 | 69 | 0 | 0 | 114.3 | W82 R96 K97 K98 | W82-M100 VanDerWaalsContact CA-SD 3.6Å; W82-M100 HydrophobicContact CB-CB 4.19Å; W82-M100 HydrophobicContact CB-CE 4.42Å; W82-M100 HydrophobicContact CB-SD 3.77Å; R96-M100 HydrophobicContact CG-CG 4.43Å; R96-M100 HydrophobicContact CG-SD 3.69Å; R96-M100 WeakPolarHBondContact O-CB 3.11Å; R96-M100 WeakPolarHBondContact O-CG 3.33Å; R96-M100 PolarHBondContact O-N 3.47Å; K97-M100 PolarHBondContact O-N 2.96Å; K98-M100 PolarHBondContact O-N 3.18Å |
| 101 | V | 97.8 | Very high | 98 | Very high | 22 Ų | 22 | 87.4 Ų | 87.4 | 13% | 0.133 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -129.1 | -0.3 | -175.3 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | K97 D103 R104 M105 | K97-V101 HydrophobicContact CG-CG2 3.53Å; K97-V101 WeakPolarHBondContact O-CG2 3.29Å; K97-V101 PolarHBondContact O-N 2.99Å; V101-D103 PolarHBondContact O-N 3.49Å; V101-R104 PolarHBondContact O-N 3.43Å; V101-R104 VanDerWaalsContact O-N 3.14Å; V101-M105 HydrophobicContact CG2-SD 4.3Å; V101-M105 WeakPolarHBondContact O-CG 3.44Å; V101-M105 PolarHBondContact O-N 3.35Å |
| 102 | G | 96.9 | Very high | 98 | Very high | 3 Ų | 3 | 89.7 Ų | 89.7 | 3% | 0.031 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -60.4 | -30.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K97 K98 R104 M105 | K97-G102 PolarHBondContact O-N 2.9Å; K98-G102 WeakPolarHBondContact O-CA 3.33Å; K98-G102 PolarHBondContact O-N 3.25Å; G102-R104 VanDerWaalsContact C-N 3.3Å; G102-R104 PolarHBondContact O-N 2.97Å; G102-M105 PolarHBondContact O-N 2.99Å |
| 103 | D | 96.5 | Very high | 98 | Very high | 149 Ų | 149 | 85.5 Ų | 85.5 | 80% | 0.797 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -72 | -25.9 | -179.4 | -57.6 | -30.3 | 0 | 0 | 0 | 112.9 | V101 | V101-D103 PolarHBondContact O-N 3.49Š|
| 104 | R | 97.1 | Very high | 98 | Very high | 201 Ų | 201 | 83.3 Ų | 83.3 | 76% | 0.758 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -98.6 | 0.1 | 179.8 | -63.1 | -179.7 | -70.7 | 174.7 | -5 | 113.1 | V101 G102 | V101-R104 PolarHBondContact O-N 3.43Å; V101-R104 VanDerWaalsContact O-N 3.14Å; G102-R104 VanDerWaalsContact C-N 3.3Å; G102-R104 PolarHBondContact O-N 2.97Å |
| 105 | M | 97.2 | Very high | 98 | Very high | 40 Ų | 40 | 86.3 Ų | 86.3 | 20% | 0.197 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -77.6 | 151.6 | 179.4 | -77.4 | 179 | 64.6 | 0 | 0 | 111.1 | K97 V101 G102 D109 R110 L113 | K97-M105 HydrophobicContact CG-SD 4.5Å; V101-M105 HydrophobicContact CG2-SD 4.3Å; V101-M105 WeakPolarHBondContact O-CG 3.44Å; V101-M105 PolarHBondContact O-N 3.35Å; G102-M105 PolarHBondContact O-N 2.99Å; M105-D109 HydrophobicContact CE-CB 3.55Å; M105-R110 HydrophobicContact CB-CB 4.37Å; M105-L113 HydrophobicContact CE-CB 4.37Å; M105-L113 HydrophobicContact CE-CD1 3.79Å; M105-L113 HydrophobicContact SD-CD1 3.93Å |
| 106 | T | 98.3 | Very high | 98 | Very high | 80 Ų | 80 | 87 Ų | 87 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | trans | -60 | 151.5 | 170.3 | 73.5 | 0 | 0 | 0 | 0 | 110.3 | L108 D109 R110 | T106-L108 VanDerWaalsContact C-N 3.31Å; T106-L108 PolarHBondContact O-N 2.86Å; T106-D109 PolarHBondContact O-N 3.46Å; T106-D109 VanDerWaalsContact OG1-CB 3.27Å; T106-D109 WeakPolarHBondContact OG1-CB 3.45Å; T106-D109 PolarHBondContact OG1-N 3.49Å; T106-D109 PolarHBondContact OG1-OD2 3.3Å; T106-R110 WeakPolarHBondContact O-CB 3.43Å; T106-R110 PolarHBondContact O-N 2.95Å | ||
| 107 | T | 97.8 | Very high | 98 | Very high | 118 Ų | 118 | 84 Ų | 84 | 72% | 0.724 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.3 | -43.1 | -177.6 | 50.9 | 0 | 0 | 0 | 0 | 112 | H111 | T107-H111 WeakPolarHBondContact O-CB 3.43Å; T107-H111 PolarHBondContact O-N 2.94Å |
| 108 | L | 98.2 | Very high | 98 | Very high | 109 Ų | 109 | 87.9 Ų | 87.9 | 57% | 0.571 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.8 | -46.6 | 177.4 | -179.9 | 59.7 | 0 | 0 | 0 | 111.8 | T106 R110 H111 N112 | T106-L108 VanDerWaalsContact C-N 3.31Å; T106-L108 PolarHBondContact O-N 2.86Å; L108-R110 PolarHBondContact O-N 3.49Å; L108-H111 PolarHBondContact O-N 3.29Å; L108-N112 WeakPolarHBondContact O-CB 3.48Å; L108-N112 PolarHBondContact O-N 2.98Å; L108-N112 PolarHBondContact O-ND2 3.3Å |
| 109 | D | 98.2 | Very high | 98 | Very high | 81 Ų | 81 | 88.4 Ų | 88.4 | 43% | 0.433 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | -179.8 | -68 | -32.3 | 0 | 0 | 0 | 111.6 | M105 T106 N112 L113 | M105-D109 HydrophobicContact CE-CB 3.55Å; T106-D109 PolarHBondContact O-N 3.46Å; T106-D109 VanDerWaalsContact OG1-CB 3.27Å; T106-D109 WeakPolarHBondContact OG1-CB 3.45Å; T106-D109 PolarHBondContact OG1-N 3.49Å; T106-D109 PolarHBondContact OG1-OD2 3.3Å; D109-N112 PolarHBondContact O-N 3.42Å; D109-L113 WeakPolarHBondContact O-CB 3.18Å; D109-L113 PolarHBondContact O-N 2.87Å |
| 110 | R | 98.1 | Very high | 98.1 | Very high | 114 Ų | 114 | 79.9 Ų | 79.9 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 176 | -169.3 | 177.3 | 74 | 163.1 | 1.4 | 110.7 | M105 T106 L108 N112 L113 E114 | M105-R110 HydrophobicContact CB-CB 4.37Å; T106-R110 WeakPolarHBondContact O-CB 3.43Å; T106-R110 PolarHBondContact O-N 2.95Å; L108-R110 PolarHBondContact O-N 3.49Å; R110-N112 PolarHBondContact O-N 3.35Å; R110-L113 PolarHBondContact O-N 3.32Å; R110-E114 WeakPolarHBondContact O-CG 3.48Å; R110-E114 PolarHBondContact O-N 3.18Å |
| 111 | H | 98.4 | Very high | 98.1 | Very high | 87 Ų | 87 | 82.5 Ų | 82.5 | 40% | 0.403 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 177.2 | 176.1 | 76.9 | 0 | 0 | 0 | 112.3 | T107 L108 E114 K115 | T107-H111 WeakPolarHBondContact O-CB 3.43Å; T107-H111 PolarHBondContact O-N 2.94Å; L108-H111 PolarHBondContact O-N 3.29Å; H111-E114 PolarHBondContact O-N 3.28Å; H111-K115 VanDerWaalsContact CD2-CE 3.46Å; H111-K115 WeakPolarHBondContact CD2-CE 3.35Å; H111-K115 PolarHBondContact CD2-NZ 2.82Å; H111-K115 WeakPolarHBondContact NE2-CD 3.31Å; H111-K115 VanDerWaalsContact NE2-CE 3.33Å; H111-K115 WeakPolarHBondContact NE2-CE 3.45Å; H111-K115 PolarHBondContact NE2-NZ 2.87Å; H111-K115 WeakPolarHBondContact O-CG 3.42Å; H111-K115 PolarHBondContact O-N 3.46Å |
| 112 | N | 98.6 | Very high | 98.1 | Very high | 66 Ų | 66 | 87.9 Ų | 87.9 | 35% | 0.353 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 177.2 | -73.9 | -27.8 | 0 | 0 | 0 | 112.3 | L108 D109 R110 E114 K115 R116 | L108-N112 WeakPolarHBondContact O-CB 3.48Å; L108-N112 PolarHBondContact O-N 2.98Å; L108-N112 PolarHBondContact O-ND2 3.3Å; D109-N112 PolarHBondContact O-N 3.42Å; R110-N112 PolarHBondContact O-N 3.35Å; N112-E114 VanDerWaalsContact C-N 3.35Å; N112-E114 PolarHBondContact O-N 3.32Å; N112-K115 PolarHBondContact O-N 3.2Å; N112-K115 WeakPolarHBondContact OD1-CE 3.36Å; N112-K115 PolarHBondContact OD1-NZ 3.34Å; N112-R116 PolarHBondContact O-N 3.38Å |
| 113 | L | 98.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 94.3 Ų | 94.3 | 6% | 0.058 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | 174.9 | -175.4 | 151.5 | 0 | 0 | 0 | 111.2 | L94 K97 K98 M105 D109 R110 R116 I117 | L94-L113 HydrophobicContact CD2-CD1 4.36Å; L94-L113 HydrophobicContact CD2-CG 4.28Å; K97-L113 HydrophobicContact CB-CD1 4.37Å; K97-L113 HydrophobicContact CD-CD1 3.88Å; K97-L113 HydrophobicContact CG-CD1 4.08Å; K98-L113 HydrophobicContact CB-CD2 3.73Å; K98-L113 HydrophobicContact CD-CD2 4.25Å; K98-L113 HydrophobicContact CG-CD2 4.06Å; M105-L113 HydrophobicContact CE-CB 4.37Å; M105-L113 HydrophobicContact CE-CD1 3.79Å; M105-L113 HydrophobicContact SD-CD1 3.93Å; D109-L113 WeakPolarHBondContact O-CB 3.18Å; D109-L113 PolarHBondContact O-N 2.87Å; R110-L113 PolarHBondContact O-N 3.32Å; L113-R116 PolarHBondContact O-N 3.27Å; L113-I117 HydrophobicContact CD2-CD1 3.44Å; L113-I117 VanDerWaalsContact CD2-CD1 3.44Å; L113-I117 HydrophobicContact CD2-CG1 4.18Å; L113-I117 WeakPolarHBondContact O-CG1 3.35Å; L113-I117 PolarHBondContact O-N 3.47Å |
| 114 | E | 98.4 | Very high | 98.1 | Very high | 56 Ų | 56 | 92.1 Ų | 92.1 | 26% | 0.262 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.7 | -38.6 | 177.8 | -72.3 | -178.9 | 159.1 | 0 | 0 | 113.1 | K98 R110 H111 N112 R116 I117 R118 | K98-E114 HydrophobicContact CD-CG 4.36Å; K98-E114 WeakPolarHBondContact CE-OE1 3.45Å; K98-E114 IonicContact NZ-OE1 3.25Å; K98-E114 PolarHBondContact NZ-OE1 2.88Å; R110-E114 WeakPolarHBondContact O-CG 3.48Å; R110-E114 PolarHBondContact O-N 3.18Å; H111-E114 PolarHBondContact O-N 3.28Å; N112-E114 VanDerWaalsContact C-N 3.35Å; N112-E114 PolarHBondContact O-N 3.32Å; E114-R116 VanDerWaalsContact C-N 3.3Å; E114-R116 PolarHBondContact O-N 3.12Å; E114-I117 PolarHBondContact O-N 2.82Å; E114-R118 WeakPolarHBondContact O-CB 3.37Å; E114-R118 WeakPolarHBondContact O-CG 3.28Å; E114-R118 PolarHBondContact O-N 3.27Å; E114-R118 PolarHBondContact O-NE 3.22Å |
| 115 | K | 98.7 | Very high | 98.1 | Very high | 94 Ų | 94 | 87.1 Ų | 87.1 | 41% | 0.409 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 170.8 | -76 | -173.1 | -61.3 | -167.2 | 0 | 110.9 | H111 N112 R118 F119 | H111-K115 VanDerWaalsContact CD2-CE 3.46Å; H111-K115 WeakPolarHBondContact CD2-CE 3.35Å; H111-K115 PolarHBondContact CD2-NZ 2.82Å; H111-K115 WeakPolarHBondContact NE2-CD 3.31Å; H111-K115 VanDerWaalsContact NE2-CE 3.33Å; H111-K115 WeakPolarHBondContact NE2-CE 3.45Å; H111-K115 PolarHBondContact NE2-NZ 2.87Å; H111-K115 WeakPolarHBondContact O-CG 3.42Å; H111-K115 PolarHBondContact O-N 3.46Å; N112-K115 PolarHBondContact O-N 3.2Å; N112-K115 WeakPolarHBondContact OD1-CE 3.36Å; N112-K115 PolarHBondContact OD1-NZ 3.34Å; K115-R118 PolarHBondContact O-N 2.87Å; K115-F119 WeakPolarHBondContact O-CB 3.39Å; K115-F119 PolarHBondContact O-N 3.32Å |
| 116 | R | 98.7 | Very high | 98 | Very high | 101 Ų | 101 | 94 Ų | 94 | 38% | 0.381 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 179.4 | -172.4 | 62.9 | 177.8 | -179.6 | 1.4 | 112.2 | E90 L94 N112 L113 E114 R118 F119 L120 | E90-R116 VanDerWaalsContact CD-NH2 3.3Å; E90-R116 IonicContact OE1-CZ 2.71Å; E90-R116 VanDerWaalsContact OE1-CZ 3.25Å; E90-R116 IonicContact OE1-NE 2.97Å; E90-R116 PolarHBondContact OE1-NE 3.42Å; E90-R116 IonicContact OE1-NH2 2.82Å; E90-R116 PolarHBondContact OE1-NH2 3.37Å; E90-R116 IonicContact OE2-CZ 3.85Å; E90-R116 IonicContact OE2-NE 3.31Å; E90-R116 IonicContact OE2-NH2 3.76Å; E90-R116 PolarHBondContact OE2-NH2 3.49Å; L94-R116 HydrophobicContact CD1-CB 4Å; L94-R116 HydrophobicContact CD1-CG 3.39Å; N112-R116 PolarHBondContact O-N 3.38Å; L113-R116 PolarHBondContact O-N 3.27Å; E114-R116 VanDerWaalsContact C-N 3.3Å; E114-R116 PolarHBondContact O-N 3.12Å; R116-R118 PolarHBondContact O-N 2.85Å; R116-F119 PolarHBondContact O-N 3.45Å; R116-L120 HydrophobicContact CG-CD1 4.11Å; R116-L120 HydrophobicContact CG-CG 4.44Å; R116-L120 WeakPolarHBondContact O-CG 3.33Å; R116-L120 PolarHBondContact O-N 3.09Å |
| 117 | I | 98.6 | Very high | 97.8 | Very high | 27 Ų | 27 | 93.9 Ų | 93.9 | 14% | 0.138 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.1 | -48.8 | 174.5 | -70.6 | 176.4 | 0 | 0 | 0 | 110.6 | L91 L94 I95 K98 L113 E114 F119 L120 Y121 | L91-I117 HydrophobicContact CD1-CB 4.48Å; L91-I117 HydrophobicContact CD1-CG2 3.98Å; L94-I117 HydrophobicContact CB-CD1 4.03Å; L94-I117 HydrophobicContact CB-CG1 3.65Å; L94-I117 HydrophobicContact CD1-CG1 4.34Å; I95-I117 HydrophobicContact CG1-CD1 4.14Å; I95-I117 HydrophobicContact CG1-CG2 4.3Å; K98-I117 HydrophobicContact CB-CD1 4.3Å; K98-I117 HydrophobicContact CD-CD1 4.17Å; L113-I117 HydrophobicContact CD2-CD1 3.44Å; L113-I117 VanDerWaalsContact CD2-CD1 3.44Å; L113-I117 HydrophobicContact CD2-CG1 4.18Å; L113-I117 WeakPolarHBondContact O-CG1 3.35Å; L113-I117 PolarHBondContact O-N 3.47Å; E114-I117 PolarHBondContact O-N 2.82Å; I117-F119 VanDerWaalsContact C-N 3.3Å; I117-F119 PolarHBondContact O-N 3.01Å; I117-L120 PolarHBondContact O-N 3.18Å; I117-Y121 WeakPolarHBondContact O-CB 3.49Å; I117-Y121 PolarHBondContact O-N 3.31Å |
| 118 | R | 98.6 | Very high | 97.7 | Very high | 142 Ų | 142 | 91.1 Ų | 91.1 | 54% | 0.536 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 179.1 | -75.1 | -175.3 | -70.3 | 175.2 | -4 | 112.8 | E114 K115 R116 R122 | E114-R118 WeakPolarHBondContact O-CB 3.37Å; E114-R118 WeakPolarHBondContact O-CG 3.28Å; E114-R118 PolarHBondContact O-N 3.27Å; E114-R118 PolarHBondContact O-NE 3.22Å; K115-R118 PolarHBondContact O-N 2.87Å; R116-R118 PolarHBondContact O-N 2.85Å; R118-R122 WeakPolarHBondContact O-CG 3.27Å; R118-R122 PolarHBondContact O-N 2.9Å; R118-R122 PolarHBondContact O-NE 3.09Å |
| 119 | F | 98.6 | Very high | 97.5 | Very high | 97 Ų | 97 | 95.1 Ų | 95.1 | 43% | 0.425 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.4 | -53.2 | 174.1 | 170.5 | -99.6 | 0 | 0 | 0 | 111.4 | K115 R116 I117 Y121 R122 R123 | K115-F119 WeakPolarHBondContact O-CB 3.39Å; K115-F119 PolarHBondContact O-N 3.32Å; R116-F119 PolarHBondContact O-N 3.45Å; I117-F119 VanDerWaalsContact C-N 3.3Å; I117-F119 PolarHBondContact O-N 3.01Å; F119-Y121 VanDerWaalsContact C-N 3.35Å; F119-Y121 PolarHBondContact O-N 3.09Å; F119-R122 PolarHBondContact O-N 3.3Å; F119-R123 WeakPolarHBondContact O-CB 3.46Å; F119-R123 PolarHBondContact O-N 3.06Å |
| 120 | L | 98.5 | Very high | 97.1 | Very high | 5 Ų | 5 | 99 Ų | 99 | 3% | 0.026 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.3 | -38.6 | -177.2 | -69.7 | 175.4 | 0 | 0 | 0 | 112.5 | E90 L91 L94 R116 I117 R122 R123 F124 | E90-L120 HydrophobicContact CB-CD1 4.02Å; E90-L120 HydrophobicContact CG-CD1 3.76Å; L91-L120 HydrophobicContact CB-CB 4.22Å; L91-L120 HydrophobicContact CB-CD1 4.28Å; L91-L120 HydrophobicContact CD1-CB 4.03Å; L94-L120 HydrophobicContact CD1-CD1 3.78Å; R116-L120 HydrophobicContact CG-CD1 4.11Å; R116-L120 HydrophobicContact CG-CG 4.44Å; R116-L120 WeakPolarHBondContact O-CG 3.33Å; R116-L120 PolarHBondContact O-N 3.09Å; I117-L120 PolarHBondContact O-N 3.18Å; L120-R122 VanDerWaalsContact C-N 3.35Å; L120-R122 PolarHBondContact O-N 3.2Å; L120-R123 PolarHBondContact O-N 2.92Å; L120-F124 HydrophobicContact CB-CE2 4.47Å; L120-F124 HydrophobicContact CD2-CZ 4.18Å; L120-F124 WeakPolarHBondContact O-CB 3.45Å; L120-F124 WeakPolarHBondContact O-CG 3.22Å; L120-F124 PolarHBondContact O-N 3.3Å |
| 121 | Y | 98.4 | Very high | 96.3 | Very high | 130 Ų | 130 | 108 Ų | 108 | 51% | 0.51 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 175.1 | -179 | -91.2 | 0 | 0 | 0 | 111.5 | I117 F119 N125 | I117-Y121 WeakPolarHBondContact O-CB 3.49Å; I117-Y121 PolarHBondContact O-N 3.31Å; F119-Y121 VanDerWaalsContact C-N 3.35Å; F119-Y121 PolarHBondContact O-N 3.09Å; Y121-N125 VanDerWaalsContact CD2-ND2 3.33Å; Y121-N125 WeakPolarHBondContact CD2-ND2 3.45Å; Y121-N125 WeakPolarHBondContact CE2-ND2 3.4Å; Y121-N125 WeakPolarHBondContact O-CB 3.48Å; Y121-N125 PolarHBondContact O-N 3.11Å; Y121-N125 PolarHBondContact O-ND2 3.17Å |
| 122 | R | 98 | Very high | 96.2 | Very high | 134 Ų | 134 | 109.1 Ų | 109.1 | 51% | 0.506 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 175 | -72.5 | -176.7 | -70.8 | 167.5 | -1.9 | 111.1 | R118 F119 L120 R126 | R118-R122 WeakPolarHBondContact O-CG 3.27Å; R118-R122 PolarHBondContact O-N 2.9Å; R118-R122 PolarHBondContact O-NE 3.09Å; F119-R122 PolarHBondContact O-N 3.3Å; L120-R122 VanDerWaalsContact C-N 3.35Å; L120-R122 PolarHBondContact O-N 3.2Å; R122-R126 WeakPolarHBondContact O-CA 3.5Å; R122-R126 VanDerWaalsContact O-CB 3.22Å; R122-R126 WeakPolarHBondContact O-CB 3.14Å; R122-R126 PolarHBondContact O-N 2.82Å |
| 123 | R | 97.3 | Very high | 96 | Very high | 139 Ų | 139 | 111.4 Ų | 111.4 | 53% | 0.525 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.1 | -48.2 | -177.8 | -177.8 | 62.5 | 177.9 | -170.8 | -0.8 | 112 | F119 L120 T127 | F119-R123 WeakPolarHBondContact O-CB 3.46Å; F119-R123 PolarHBondContact O-N 3.06Å; L120-R123 PolarHBondContact O-N 2.92Å; R123-T127 CarbonylContact O-C 3.56Å; R123-T127 WeakPolarHBondContact O-CB 3.11Å; R123-T127 PolarHBondContact O-N 3.12Å |
| 124 | F | 96.8 | Very high | 95.9 | Very high | 103 Ų | 103 | 116.9 Ų | 116.9 | 45% | 0.452 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.9 | -33.5 | -176.6 | -66.6 | -20.5 | 0 | 0 | 0 | 113.4 | L91 L120 | L91-F124 HydrophobicContact CB-CD2 4.07Å; L91-F124 HydrophobicContact CB-CE2 3.76Å; L91-F124 HydrophobicContact CD2-CD2 3.89Å; L91-F124 HydrophobicContact CD2-CE2 4.45Å; L120-F124 HydrophobicContact CB-CE2 4.47Å; L120-F124 HydrophobicContact CD2-CZ 4.18Å; L120-F124 WeakPolarHBondContact O-CB 3.45Å; L120-F124 WeakPolarHBondContact O-CG 3.22Å; L120-F124 PolarHBondContact O-N 3.3Å |
| 125 | N | 96.5 | Very high | 95.7 | Very high | 95 Ų | 95 | 120.5 Ų | 120.5 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -99 | -16.1 | -173.3 | -60.5 | -59.5 | 0 | 0 | 0 | 114.4 | Y121 | Y121-N125 VanDerWaalsContact CD2-ND2 3.33Å; Y121-N125 WeakPolarHBondContact CD2-ND2 3.45Å; Y121-N125 WeakPolarHBondContact CE2-ND2 3.4Å; Y121-N125 WeakPolarHBondContact O-CB 3.48Å; Y121-N125 PolarHBondContact O-N 3.11Å; Y121-N125 PolarHBondContact O-ND2 3.17Å |
| 126 | R | 95.8 | Very high | 95.6 | Very high | 185 Ų | 185 | 122.2 Ų | 122.2 | 70% | 0.698 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -118.5 | -12.3 | -177.4 | -53.3 | -177.4 | -179.9 | -175 | -2.4 | 113.7 | R122 | R122-R126 WeakPolarHBondContact O-CA 3.5Å; R122-R126 VanDerWaalsContact O-CB 3.22Å; R122-R126 WeakPolarHBondContact O-CB 3.14Å; R122-R126 PolarHBondContact O-N 2.82Å |
| 127 | T | 94.2 | Very high | 95.4 | Very high | 77 Ų | 77 | 123.6 Ų | 123.6 | 47% | 0.472 | 54% | 0.544 | S | S | . | . | trans | -134 | 128 | -175.7 | -48.5 | 0 | 0 | 0 | 0 | 109.6 | R123 | R123-T127 CarbonylContact O-C 3.56Å; R123-T127 WeakPolarHBondContact O-CB 3.11Å; R123-T127 PolarHBondContact O-N 3.12Å | ||
| 128 | G | 93.8 | Very high | 95.1 | Very high | 60 Ų | 60 | 130.5 Ų | 130.5 | 62% | 0.619 | 57% | 0.573 | S | S | * | * | trans | -178.2 | 149.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 129 | K | 95.3 | Very high | 94.9 | Very high | 194 Ų | 194 | 129.6 Ų | 129.6 | 84% | 0.843 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -74 | -38.9 | 171.8 | -179.2 | 179.7 | 178 | -177.8 | 0 | 111 | ||
| 130 | H | 90.5 | Very high | 94.5 | Very high | 162 Ų | 162 | 132.3 Ų | 132.3 | 75% | 0.75 | 59% | 0.588 | S | S | * | * | trans | -105.1 | 129 | -179.7 | -56.5 | -67.5 | 0 | 0 | 0 | 108.4 | ||||
| 131 | R | 79.6 | Confident | 94.2 | Very high | 304 Ų | 304 | 143.9 Ų | 143.9 | 100% | 1.147 | 64% | 0.639 | S | S | * | * | trans | -144.2 | 0 | 174.7 | -173.8 | 175.2 | -179 | -176.4 | -1.7 | 108.9 |
Retrieved 131 of 131 residues in 261 ms
(Link to these results)