| 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 | 52.4 | Low | 55.4 | Low | 248 Ų | 248 | 166.4 Ų | 166.4 | 100% | 1.222 | 85% | 0.852 | S | S | * | * | 0 | 114.8 | 0 | -69.1 | 170.9 | 161.3 | 0 | 0 | 107.8 | |||||
| 2 | K | 49.9 | Very low | 55 | Low | 204 Ų | 204 | 169.6 Ų | 169.6 | 89% | 0.887 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 122.4 | 175.7 | -83.1 | -179.9 | 152.3 | -165.9 | 0 | 107.8 | ||
| 3 | A | 66.9 | Low | 54.6 | Low | 107 Ų | 107 | 164.5 Ų | 164.5 | 88% | 0.884 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -74 | 124 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 4 | I | 59.4 | Low | 53.8 | Low | 160 Ų | 160 | 157.6 Ų | 157.6 | 82% | 0.821 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 117.2 | 175.1 | -60.5 | 170.3 | 0 | 0 | 0 | 106.1 | ||
| 5 | S | 56.5 | Low | 53.9 | Low | 106 Ų | 106 | 154.3 Ų | 154.3 | 74% | 0.741 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -74 | 133.7 | 177.9 | -152.4 | 0 | 0 | 0 | 0 | 110 | ||
| 6 | P | 66.1 | Low | 53.2 | Low | 126 Ų | 126 | 149.1 Ų | 149.1 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 143.9 | -174.5 | -25.5 | 34.7 | 0 | 0 | 0 | 115.2 | ||
| 7 | V | 51.2 | Low | 52.6 | Low | 137 Ų | 137 | 151.9 Ų | 151.9 | 83% | 0.83 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -90 | 122.2 | 175.9 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 8 | R | 56.3 | Low | 52.5 | Low | 223 Ų | 223 | 149.4 Ų | 149.4 | 84% | 0.842 | 84% | 0.837 | S | S | * | * | trans | 64.1 | 149.5 | 142.5 | -151.6 | 173.2 | -165.5 | -108.4 | 3.1 | 122.2 | ||||
| 9 | S | 47.4 | Very low | 51.9 | Low | 80 Ų | 80 | 149.7 Ų | 149.7 | 56% | 0.559 | 84% | 0.836 | S | S | * | * | trans | 99.9 | 138 | 155.5 | -145.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 10 | F | 47.1 | Very low | 51.7 | Low | 188 Ų | 188 | 150.7 Ų | 150.7 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | cis | -161.2 | 157.8 | 45.3 | -16.4 | -88.9 | 0 | 0 | 0 | 109.2 | ||||
| 11 | R | 56.5 | Low | 51.9 | Low | 251 Ų | 251 | 148.5 Ų | 148.5 | 95% | 0.947 | 83% | 0.828 | S | S | * | * | trans | -55.1 | 136.3 | -177.7 | -65.6 | -170.6 | -73.6 | -108.2 | 2.2 | 113.7 | ||||
| 12 | K | 50.4 | Low | 51.6 | Low | 205 Ų | 205 | 143 Ų | 143 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -119.7 | 105.7 | 152.4 | -173.2 | 164.6 | 178.3 | 173.2 | 0 | 108.3 | ||||
| 13 | A | 50.2 | Low | 51.8 | Low | 103 Ų | 103 | 136.9 Ų | 136.9 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -69.8 | 125.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 14 | G | 43.2 | Very low | 50.9 | Low | 68 Ų | 68 | 136.3 Ų | 136.3 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -149.9 | 109.5 | 173 | 0 | 0 | 0 | 0 | 0 | 107.4 | G16 | G14-G16 PolarHBondContact O-N 3.2Š| ||
| 15 | A | 54.7 | Low | 50.7 | Low | 108 Ų | 108 | 134.6 Ų | 134.6 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -44.1 | 118 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 16 | G | 42.8 | Very low | 50.6 | Low | 71 Ų | 71 | 139.6 Ų | 139.6 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | -135.2 | 125 | 163.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | G14 | G14-G16 PolarHBondContact O-N 3.2Š| ||
| 17 | F | 43.1 | Very low | 49.6 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | -65.7 | 152.7 | -169 | -79.8 | -108.8 | 0 | 0 | 0 | 113 | ||||
| 18 | S | 50.2 | Low | 49.4 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 67.3 | 83 | 160.3 | 43.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 19 | D | 42.6 | Very low | 49.3 | Very low | 154 Ų | 154 | 134.5 Ų | 134.5 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -117.1 | 78.7 | 144.4 | -158.3 | -69.4 | 0 | 0 | 0 | 107.6 | S21 | D19-S21 PolarHBondContact O-N 2.66Å; D19-S21 PolarHBondContact OD1-N 2.74Å | ||
| 20 | H | 47.4 | Very low | 49.4 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | trans | -78.8 | 91.9 | 156.9 | -78.8 | -69.4 | 0 | 0 | 0 | 106.2 | L22 | H20-L22 VanDerWaalsContact C-N 3.29Å; H20-L22 PolarHBondContact O-N 2.96Å | ||
| 21 | S | 54.8 | Low | 49.7 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -39.2 | 97.7 | 152 | -173 | 0 | 0 | 0 | 0 | 109.5 | D19 | D19-S21 PolarHBondContact O-N 2.66Å; D19-S21 PolarHBondContact OD1-N 2.74Å | ||
| 22 | L | 46.2 | Very low | 49.6 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | trans | -105.2 | 90.2 | 160.9 | -70.6 | 178.7 | 0 | 0 | 0 | 105.3 | H20 I24 | H20-L22 VanDerWaalsContact C-N 3.29Å; H20-L22 PolarHBondContact O-N 2.96Å; L22-I24 HydrophobicContact CB-CD1 3.98Å; L22-I24 HydrophobicContact CB-CG1 4.09Å; L22-I24 HydrophobicContact CD1-CD1 4.1Å; L22-I24 HydrophobicContact CD2-CD1 4.41Å; L22-I24 HydrophobicContact CG-CD1 4.39Å; L22-I24 PolarHBondContact O-N 3.38Å | ||
| 23 | G | 54.4 | Low | 50.3 | Low | 77 Ų | 77 | 122.6 Ų | 122.6 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | -56.7 | 80.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 24 | I | 47.9 | Very low | 50.9 | Low | 95 Ų | 95 | 122.9 Ų | 122.9 | 49% | 0.487 | 73% | 0.734 | S | S | . | * | trans | -117.4 | 89.2 | 163.2 | -59.1 | 168.6 | 0 | 0 | 0 | 104 | L22 R26 | L22-I24 HydrophobicContact CB-CD1 3.98Å; L22-I24 HydrophobicContact CB-CG1 4.09Å; L22-I24 HydrophobicContact CD1-CD1 4.1Å; L22-I24 HydrophobicContact CD2-CD1 4.41Å; L22-I24 HydrophobicContact CG-CD1 4.39Å; L22-I24 PolarHBondContact O-N 3.38Å; I24-R26 HydrophobicContact CG2-CB 3.79Å; I24-R26 HydrophobicContact CG2-CG 3.51Å; I24-R26 PolarHBondContact O-N 3.46Å | ||
| 25 | S | 56.8 | Low | 52 | Low | 123 Ų | 123 | 124.6 Ų | 124.6 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | trans | -57.9 | 75.9 | 152.5 | 177 | 0 | 0 | 0 | 0 | 107.6 | S27 | S25-S27 VanDerWaalsContact C-N 3.31Å; S25-S27 PolarHBondContact O-N 3.05Å; S25-S27 VanDerWaalsContact O-N 3.14Å | ||
| 26 | R | 53.3 | Low | 52.5 | Low | 211 Ų | 211 | 122.8 Ų | 122.8 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | trans | -82.9 | 91.1 | 169.1 | -113.4 | 171.2 | 174.9 | 169.4 | -4.4 | 105.7 | I24 K28 | I24-R26 HydrophobicContact CG2-CB 3.79Å; I24-R26 HydrophobicContact CG2-CG 3.51Å; I24-R26 PolarHBondContact O-N 3.46Å; R26-K28 PolarHBondContact O-N 3.16Å; R26-K28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | S | 45 | Very low | 53.6 | Low | 87 Ų | 87 | 122.5 Ų | 122.5 | 61% | 0.608 | 69% | 0.689 | S | S | * | * | trans | -24 | 112.1 | 155 | 46.4 | 0 | 0 | 0 | 0 | 110.3 | S25 T29 | S25-S27 VanDerWaalsContact C-N 3.31Å; S25-S27 PolarHBondContact O-N 3.05Å; S25-S27 VanDerWaalsContact O-N 3.14Å; S27-T29 PolarHBondContact O-N 3.3Å | ||
| 28 | K | 47.1 | Very low | 54.8 | Low | 207 Ų | 207 | 118 Ų | 118 | 90% | 0.9 | 67% | 0.673 | S | S | * | * | trans | -62 | 84.6 | 168.9 | -171.3 | 170.2 | -176.8 | 174.2 | 0 | 107.4 | R26 | R26-K28 PolarHBondContact O-N 3.16Å; R26-K28 VanDerWaalsContact O-N 3.08Å | ||
| 29 | T | 53.7 | Low | 56.1 | Low | 86 Ų | 86 | 122.5 Ų | 122.5 | 53% | 0.528 | 68% | 0.675 | S | S | . | * | trans | -77.1 | 124.5 | 162.8 | 47.1 | 0 | 0 | 0 | 0 | 106.3 | S27 V31 | S27-T29 PolarHBondContact O-N 3.3Å; T29-V31 PolarHBondContact O-N 3.05Å | ||
| 30 | P | 50.2 | Low | 58.2 | Low | 131 Ų | 131 | 118.1 Ų | 118.1 | 85% | 0.851 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 33.5 | -169.6 | 31.7 | -36.3 | 0 | 0 | 0 | 113.8 | ||
| 31 | V | 53.4 | Low | 60.4 | Low | 108 Ų | 108 | 115 Ų | 115 | 66% | 0.655 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | -0.8 | -164.7 | -61.6 | 0 | 0 | 0 | 0 | 115.7 | T29 | T29-V31 PolarHBondContact O-N 3.05Š|
| 32 | D | 53.6 | Low | 62.2 | Low | 141 Ų | 141 | 114.3 Ų | 114.3 | 75% | 0.754 | 63% | 0.627 | S | S | * | * | trans | -135.2 | 44.4 | -169.5 | -79.1 | -69.7 | 0 | 0 | 0 | 115 | ||||
| 33 | D | 66.1 | Low | 64.4 | Low | 94 Ų | 94 | 111 Ų | 111 | 50% | 0.503 | 61% | 0.61 | S | S | . | * | trans | -109 | 103.4 | 158.1 | -175.6 | 53.9 | 0 | 0 | 0 | 109 | L35 S36 | D33-L35 PolarHBondContact O-N 2.65Å; D33-L35 VanDerWaalsContact O-N 3.08Å; D33-S36 WeakPolarHBondContact O-CA 3.39Å; D33-S36 WeakPolarHBondContact O-CB 3.06Å; D33-S36 PolarHBondContact O-N 3.4Å; D33-S36 PolarHBondContact OD2-N 2.88Å | ||
| 34 | P | 61.8 | Low | 66.3 | Low | 108 Ų | 108 | 108.7 Ų | 108.7 | 70% | 0.701 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -25.9 | -178.6 | -25.4 | 33.6 | 0 | 0 | 0 | 113.3 | ||
| 35 | L | 66.6 | Low | 68.5 | Low | 105 Ų | 105 | 106.7 Ų | 106.7 | 55% | 0.55 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.7 | -20.3 | 176.8 | -56.4 | -177.7 | 0 | 0 | 0 | 112.6 | D33 L37 L38 Y39 | D33-L35 PolarHBondContact O-N 2.65Å; D33-L35 VanDerWaalsContact O-N 3.08Å; L35-L37 PolarHBondContact O-N 3.05Å; L35-L38 HydrophobicContact CB-CD1 4.4Å; L35-L38 HydrophobicContact CD2-CD1 3.66Å; L35-L38 VanDerWaalsContact O-CB 3.28Å; L35-L38 WeakPolarHBondContact O-CB 3.4Å; L35-L38 PolarHBondContact O-N 3.25Å; L35-Y39 WeakPolarHBondContact O-CD2 3.49Å |
| 36 | S | 66.8 | Low | 70.2 | Confident | 69 Ų | 69 | 104 Ų | 104 | 48% | 0.483 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -57.6 | -32 | 173.6 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | D33 L38 Y39 | D33-S36 WeakPolarHBondContact O-CA 3.39Å; D33-S36 WeakPolarHBondContact O-CB 3.06Å; D33-S36 PolarHBondContact O-N 3.4Å; D33-S36 PolarHBondContact OD2-N 2.88Å; S36-L38 PolarHBondContact O-N 3.48Å; S36-Y39 PolarHBondContact O-N 3.38Å |
| 37 | L | 65.2 | Low | 72.2 | Confident | 66 Ų | 66 | 98.1 Ų | 98.1 | 35% | 0.346 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -61.5 | -32.1 | 175.6 | -149.5 | 78.3 | 0 | 0 | 0 | 112.3 | L35 Y39 N40 D43 C44 K47 | L35-L37 PolarHBondContact O-N 3.05Å; L37-Y39 VanDerWaalsContact C-N 3.26Å; L37-Y39 PolarHBondContact O-N 3.47Å; L37-N40 PolarHBondContact O-N 2.94Å; L37-N40 VanDerWaalsContact O-O 3.05Å; L37-D43 HydrophobicContact CD1-CB 3.46Å; L37-D43 VanDerWaalsContact CD1-CB 3.46Å; L37-D43 HydrophobicContact CG-CB 3.74Å; L37-C44 PolarHBondContact O-SG 3.49Å; L37-C44 VanDerWaalsContact O-SG 3.36Å; L37-K47 HydrophobicContact CD2-CB 3.78Å; L37-K47 HydrophobicContact CD2-CD 4.42Å; L37-K47 HydrophobicContact CD2-CG 4Å |
| 38 | L | 67.7 | Low | 74.6 | Confident | 104 Ų | 104 | 96.2 Ų | 96.2 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -71.8 | -20 | -178.6 | -61.9 | 171.3 | 0 | 0 | 0 | 112.9 | L35 S36 N40 M41 | L35-L38 HydrophobicContact CB-CD1 4.4Å; L35-L38 HydrophobicContact CD2-CD1 3.66Å; L35-L38 VanDerWaalsContact O-CB 3.28Å; L35-L38 WeakPolarHBondContact O-CB 3.4Å; L35-L38 PolarHBondContact O-N 3.25Å; S36-L38 PolarHBondContact O-N 3.48Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-M41 WeakPolarHBondContact O-CE 3.47Å |
| 39 | Y | 77.3 | Confident | 76.9 | Confident | 201 Ų | 201 | 88.2 Ų | 88.2 | 79% | 0.788 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -79.5 | -16.1 | 177.8 | -68.3 | -74.6 | 0 | 0 | 0 | 113 | L35 S36 L37 | L35-Y39 WeakPolarHBondContact O-CD2 3.49Å; S36-Y39 PolarHBondContact O-N 3.38Å; L37-Y39 VanDerWaalsContact C-N 3.26Å; L37-Y39 PolarHBondContact O-N 3.47Å |
| 40 | N | 87.6 | Confident | 78.8 | Confident | 61 Ų | 61 | 89.9 Ų | 89.9 | 33% | 0.326 | 48% | 0.479 | S | S | . | . | trans | -121.2 | 109.5 | 175.9 | 179.1 | 16.6 | 0 | 0 | 0 | 111.1 | L37 L38 N42 D43 C44 | L37-N40 PolarHBondContact O-N 2.94Å; L37-N40 VanDerWaalsContact O-O 3.05Å; L38-N40 VanDerWaalsContact C-N 3.32Å; N40-N42 PolarHBondContact O-N 3.4Å; N40-N42 VanDerWaalsContact O-N 3.11Å; N40-N42 PolarHBondContact OD1-N 2.84Å; N40-D43 HydrophobicContact CB-CB 4.38Å; N40-D43 WeakPolarHBondContact CB-OD2 3.49Å; N40-D43 PolarHBondContact ND2-OD1 2.99Å; N40-D43 PolarHBondContact ND2-OD2 3.41Å; N40-D43 PolarHBondContact O-N 3Å; N40-C44 PolarHBondContact O-N 2.82Å | ||
| 41 | M | 92.9 | Very high | 81.1 | Confident | 106 Ų | 106 | 88.3 Ų | 88.3 | 52% | 0.522 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.8 | -31.5 | -178 | -69.2 | -62.1 | 98.5 | 0 | 0 | 113.8 | L38 D43 C44 Y45 | L38-M41 WeakPolarHBondContact O-CE 3.47Å; M41-D43 VanDerWaalsContact C-N 3.29Å; M41-D43 PolarHBondContact O-N 3.47Å; M41-C44 WeakPolarHBondContact O-CB 3.33Å; M41-C44 PolarHBondContact O-N 3.32Å; M41-Y45 WeakPolarHBondContact O-CD2 3.46Å; M41-Y45 PolarHBondContact O-N 3.04Å |
| 42 | N | 92.3 | Very high | 83.1 | Confident | 88 Ų | 88 | 83.4 Ų | 83.4 | 47% | 0.471 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.3 | -29.1 | -179.8 | -63.5 | -38.8 | 0 | 0 | 0 | 112.5 | N40 Y45 S46 K63 | N40-N42 PolarHBondContact O-N 3.4Å; N40-N42 VanDerWaalsContact O-N 3.11Å; N40-N42 PolarHBondContact OD1-N 2.84Å; N42-Y45 PolarHBondContact O-N 3.25Å; N42-S46 PolarHBondContact O-N 3.48Å; N42-S46 PolarHBondContact O-OG 3.14Å; N42-K63 PolarHBondContact OD1-NZ 3.04Å |
| 43 | D | 92.3 | Very high | 85.1 | Confident | 63 Ų | 63 | 81.7 Ų | 81.7 | 34% | 0.337 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -74.7 | -35.1 | 178 | -60.4 | -19.3 | 0 | 0 | 0 | 110.6 | L37 N40 M41 Y45 S46 K47 | L37-D43 HydrophobicContact CD1-CB 3.46Å; L37-D43 VanDerWaalsContact CD1-CB 3.46Å; L37-D43 HydrophobicContact CG-CB 3.74Å; N40-D43 HydrophobicContact CB-CB 4.38Å; N40-D43 WeakPolarHBondContact CB-OD2 3.49Å; N40-D43 PolarHBondContact ND2-OD1 2.99Å; N40-D43 PolarHBondContact ND2-OD2 3.41Å; N40-D43 PolarHBondContact O-N 3Å; M41-D43 VanDerWaalsContact C-N 3.29Å; M41-D43 PolarHBondContact O-N 3.47Å; D43-Y45 PolarHBondContact O-N 3.4Å; D43-S46 PolarHBondContact O-N 2.91Å; D43-K47 PolarHBondContact O-N 3.34Å |
| 44 | C | 94 | Very high | 86.5 | Confident | 29 Ų | 29 | 80.4 Ų | 80.4 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -56.4 | -49.2 | 169.2 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | L37 N40 M41 S46 K47 L48 | L37-C44 PolarHBondContact O-SG 3.49Å; L37-C44 VanDerWaalsContact O-SG 3.36Å; N40-C44 PolarHBondContact O-N 2.82Å; M41-C44 WeakPolarHBondContact O-CB 3.33Å; M41-C44 PolarHBondContact O-N 3.32Å; C44-S46 VanDerWaalsContact C-N 3.31Å; C44-S46 PolarHBondContact O-N 3.41Å; C44-K47 PolarHBondContact O-N 3.19Å; C44-L48 VanDerWaalsContact O-CG 3.3Å; C44-L48 WeakPolarHBondContact O-CG 3.38Å; C44-L48 PolarHBondContact O-N 2.92Å |
| 45 | Y | 94.8 | Very high | 88.1 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 20% | 0.204 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 177.2 | -72.5 | -70.8 | 0 | 0 | 0 | 112.3 | M41 N42 D43 K47 L48 K49 K63 I66 L67 | M41-Y45 WeakPolarHBondContact O-CD2 3.46Å; M41-Y45 PolarHBondContact O-N 3.04Å; N42-Y45 PolarHBondContact O-N 3.25Å; D43-Y45 PolarHBondContact O-N 3.4Å; Y45-K47 VanDerWaalsContact C-N 3.31Å; Y45-K47 PolarHBondContact O-N 2.89Å; Y45-L48 HydrophobicContact CD1-CD1 4.32Å; Y45-L48 PolarHBondContact O-N 3.23Å; Y45-K49 WeakPolarHBondContact O-CG 3.22Å; Y45-K49 PolarHBondContact O-N 3.11Å; Y45-K49 VanDerWaalsContact O-N 3.11Å; Y45-K63 HydrophobicContact CD1-CB 4.44Å; Y45-K63 HydrophobicContact CD1-CG 4.24Å; Y45-K63 HydrophobicContact CD2-CD 4.16Å; Y45-K63 HydrophobicContact CD2-CG 4.12Å; Y45-K63 HydrophobicContact CE1-CB 3.81Å; Y45-K63 HydrophobicContact CE1-CD 4.47Å; Y45-K63 HydrophobicContact CE1-CG 3.93Å; Y45-K63 HydrophobicContact CE2-CB 4.46Å; Y45-K63 HydrophobicContact CE2-CD 3.61Å; Y45-K63 HydrophobicContact CE2-CG 3.86Å; Y45-K63 HydrophobicContact CG-CG 4.35Å; Y45-I66 HydrophobicContact CD1-CB 4.22Å; Y45-I66 HydrophobicContact CD1-CD1 4Å; Y45-I66 HydrophobicContact CD1-CG2 3.88Å; Y45-I66 HydrophobicContact CG-CD1 4.45Å; Y45-L67 HydrophobicContact CE1-CD2 4.2Å; Y45-L67 HydrophobicContact CE1-CG 4.26Å |
| 46 | S | 93.1 | Very high | 89.4 | Confident | 67 Ų | 67 | 72.2 Ų | 72.2 | 47% | 0.469 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 176.4 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | N42 D43 C44 L48 K49 E50 | N42-S46 PolarHBondContact O-N 3.48Å; N42-S46 PolarHBondContact O-OG 3.14Å; D43-S46 PolarHBondContact O-N 2.91Å; C44-S46 VanDerWaalsContact C-N 3.31Å; C44-S46 PolarHBondContact O-N 3.41Å; S46-L48 PolarHBondContact O-N 3.34Å; S46-K49 WeakPolarHBondContact O-CB 3.46Å; S46-K49 PolarHBondContact O-N 3.5Å; S46-E50 PolarHBondContact O-N 3.35Å |
| 47 | K | 94.3 | Very high | 90.6 | Very high | 88 Ų | 88 | 75.1 Ų | 75.1 | 38% | 0.383 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 176.1 | -167.2 | 66.2 | -172.1 | 168.6 | 0 | 113.1 | L37 D43 C44 Y45 K49 E50 L51 | L37-K47 HydrophobicContact CD2-CB 3.78Å; L37-K47 HydrophobicContact CD2-CD 4.42Å; L37-K47 HydrophobicContact CD2-CG 4Å; D43-K47 PolarHBondContact O-N 3.34Å; C44-K47 PolarHBondContact O-N 3.19Å; Y45-K47 VanDerWaalsContact C-N 3.31Å; Y45-K47 PolarHBondContact O-N 2.89Å; K47-K49 VanDerWaalsContact C-N 3.29Å; K47-K49 PolarHBondContact O-N 3.1Å; K47-E50 WeakPolarHBondContact CD-OE2 3.26Å; K47-E50 IonicContact NZ-OE2 3.88Å; K47-E50 PolarHBondContact NZ-OE2 3.24Å; K47-E50 WeakPolarHBondContact O-CB 3.33Å; K47-E50 PolarHBondContact O-N 3.03Å; K47-E50 VanDerWaalsContact O-N 3.11Å; K47-L51 HydrophobicContact CG-CD1 4.02Å; K47-L51 HydrophobicContact CG-CG 4.43Å; K47-L51 WeakPolarHBondContact O-CG 3.41Å; K47-L51 PolarHBondContact O-N 3.29Å; K47-L51 VanDerWaalsContact O-N 3.08Å |
| 48 | L | 95.8 | Very high | 91.8 | Very high | 47 Ų | 47 | 79.5 Ų | 79.5 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 174.1 | -66.1 | 168.8 | 0 | 0 | 0 | 111.4 | C44 Y45 S46 E50 L51 V52 I66 V70 | C44-L48 VanDerWaalsContact O-CG 3.3Å; C44-L48 WeakPolarHBondContact O-CG 3.38Å; C44-L48 PolarHBondContact O-N 2.92Å; Y45-L48 HydrophobicContact CD1-CD1 4.32Å; Y45-L48 PolarHBondContact O-N 3.23Å; S46-L48 PolarHBondContact O-N 3.34Å; L48-E50 VanDerWaalsContact C-N 3.26Å; L48-E50 PolarHBondContact O-N 3.08Å; L48-L51 PolarHBondContact O-N 3.42Å; L48-V52 WeakPolarHBondContact O-CB 3.35Å; L48-V52 WeakPolarHBondContact O-CG2 3.26Å; L48-V52 PolarHBondContact O-N 3.21Å; L48-I66 HydrophobicContact CB-CG2 3.87Å; L48-I66 HydrophobicContact CD1-CG2 4.06Å; L48-V70 HydrophobicContact CB-CG2 4.04Å; L48-V70 HydrophobicContact CD1-CG2 4.16Å; L48-V70 HydrophobicContact CD2-CG1 4.29Å; L48-V70 HydrophobicContact CD2-CG2 3.78Å; L48-V70 HydrophobicContact CG-CG2 4.19Å |
| 49 | K | 95 | Very high | 92.8 | Very high | 39 Ų | 39 | 79.4 Ų | 79.4 | 17% | 0.17 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.6 | -27.6 | 174.3 | -61.6 | -177.6 | 76.5 | -172.8 | 0 | 113.5 | Y45 S46 K47 I55 P56 Q57 K59 I66 | Y45-K49 WeakPolarHBondContact O-CG 3.22Å; Y45-K49 PolarHBondContact O-N 3.11Å; Y45-K49 VanDerWaalsContact O-N 3.11Å; S46-K49 WeakPolarHBondContact O-CB 3.46Å; S46-K49 PolarHBondContact O-N 3.5Å; K47-K49 VanDerWaalsContact C-N 3.29Å; K47-K49 PolarHBondContact O-N 3.1Å; K49-I55 HydrophobicContact CB-CG2 4.25Å; K49-I55 HydrophobicContact CG-CG2 3.86Å; K49-P56 WeakPolarHBondContact CE-O 3.35Å; K49-P56 PolarHBondContact NZ-O 3.34Å; K49-Q57 PolarHBondContact NZ-O 3.02Å; K49-Q57 PolarHBondContact O-NE2 3.37Å; K49-K59 PolarHBondContact NZ-O 3.05Å; K49-I66 HydrophobicContact CD-CD1 4.38Å; K49-I66 HydrophobicContact CG-CD1 4.14Å |
| 50 | E | 95.2 | Very high | 93.5 | Very high | 121 Ų | 121 | 77.8 Ų | 77.8 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -78.2 | -37.3 | 175.3 | -66.5 | -178 | 170.6 | 0 | 0 | 112.3 | S46 K47 L48 | S46-E50 PolarHBondContact O-N 3.35Å; K47-E50 WeakPolarHBondContact CD-OE2 3.26Å; K47-E50 IonicContact NZ-OE2 3.88Å; K47-E50 PolarHBondContact NZ-OE2 3.24Å; K47-E50 WeakPolarHBondContact O-CB 3.33Å; K47-E50 PolarHBondContact O-N 3.03Å; K47-E50 VanDerWaalsContact O-N 3.11Å; L48-E50 VanDerWaalsContact C-N 3.26Å; L48-E50 PolarHBondContact O-N 3.08Å |
| 51 | L | 96.5 | Very high | 93.8 | Very high | 98 Ų | 98 | 76 Ų | 76 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -84.5 | -27.1 | -172.6 | -67.4 | 175.1 | 0 | 0 | 0 | 113.9 | K47 L48 P53 Y73 | K47-L51 HydrophobicContact CG-CD1 4.02Å; K47-L51 HydrophobicContact CG-CG 4.43Å; K47-L51 WeakPolarHBondContact O-CG 3.41Å; K47-L51 PolarHBondContact O-N 3.29Å; K47-L51 VanDerWaalsContact O-N 3.08Å; L48-L51 PolarHBondContact O-N 3.42Å; L51-P53 WeakPolarHBondContact O-CD 3.49Å; L51-Y73 WeakPolarHBondContact O-CE1 3.23Å |
| 52 | V | 97 | Very high | 94 | Very high | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.024 | 40% | 0.398 | C | S | . | . | trans | -100.6 | 112.2 | -176 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | L48 S54 I55 H69 V70 Y73 | L48-V52 WeakPolarHBondContact O-CB 3.35Å; L48-V52 WeakPolarHBondContact O-CG2 3.26Å; L48-V52 PolarHBondContact O-N 3.21Å; V52-S54 VanDerWaalsContact C-N 3.27Å; V52-S54 WeakPolarHBondContact CG1-OG 3.48Å; V52-S54 PolarHBondContact O-N 3Å; V52-I55 HydrophobicContact CB-CD1 3.62Å; V52-I55 HydrophobicContact CB-CG1 3.81Å; V52-I55 HydrophobicContact CG1-CD1 3.88Å; V52-I55 HydrophobicContact CG1-CG1 3.71Å; V52-I55 HydrophobicContact CG2-CD1 4.05Å; V52-I55 PolarHBondContact O-N 3.01Å; V52-I55 VanDerWaalsContact O-N 3.14Å; V52-H69 HydrophobicContact CG1-CB 4.13Å; V52-V70 HydrophobicContact CG2-CB 4.47Å; V52-V70 HydrophobicContact CG2-CG2 3.69Å; V52-Y73 HydrophobicContact CB-CD1 4.42Å; V52-Y73 HydrophobicContact CG1-CD1 4.37Å; V52-Y73 HydrophobicContact CG1-CG 4.14Å; V52-Y73 HydrophobicContact CG2-CD1 3.92Å; V52-Y73 HydrophobicContact CG2-CG 4.46Å | ||
| 53 | P | 96 | Very high | 94.2 | Very high | 105 Ų | 105 | 74.9 Ų | 74.9 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -27.5 | -172.8 | -23.9 | 33.7 | 0 | 0 | 0 | 115.1 | L51 I55 Y73 | L51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-I55 VanDerWaalsContact C-N 3.29Å; P53-I55 PolarHBondContact O-N 3.03Å; P53-Y73 HydrophobicContact CG-CE2 4.08Å |
| 54 | S | 94.8 | Very high | 94.5 | Very high | 67 Ų | 67 | 77.5 Ų | 77.5 | 47% | 0.469 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -14.5 | -178.9 | 57 | 0 | 0 | 0 | 0 | 113.3 | V52 P56 H69 | V52-S54 VanDerWaalsContact C-N 3.27Å; V52-S54 WeakPolarHBondContact CG1-OG 3.48Å; V52-S54 PolarHBondContact O-N 3Å; S54-P56 WeakPolarHBondContact O-CD 3.46Å; S54-H69 PolarHBondContact OG-ND1 3.21Å |
| 55 | I | 96.1 | Very high | 94.7 | Very high | 6 Ų | 6 | 79 Ų | 79 | 3% | 0.031 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -88 | 120.1 | -177.2 | -54.7 | 179.3 | 0 | 0 | 0 | 110.3 | K49 V52 P53 Q57 V61 I66 H69 V70 | K49-I55 HydrophobicContact CB-CG2 4.25Å; K49-I55 HydrophobicContact CG-CG2 3.86Å; V52-I55 HydrophobicContact CB-CD1 3.62Å; V52-I55 HydrophobicContact CB-CG1 3.81Å; V52-I55 HydrophobicContact CG1-CD1 3.88Å; V52-I55 HydrophobicContact CG1-CG1 3.71Å; V52-I55 HydrophobicContact CG2-CD1 4.05Å; V52-I55 PolarHBondContact O-N 3.01Å; V52-I55 VanDerWaalsContact O-N 3.14Å; P53-I55 VanDerWaalsContact C-N 3.29Å; P53-I55 PolarHBondContact O-N 3.03Å; I55-Q57 PolarHBondContact O-N 3.26Å; I55-V61 HydrophobicContact CG2-CG2 4.23Å; I55-I66 HydrophobicContact CD1-CB 4.37Å; I55-I66 HydrophobicContact CD1-CG1 4.49Å; I55-I66 HydrophobicContact CD1-CG2 3.93Å; I55-I66 HydrophobicContact CG2-CG1 4.46Å; I55-H69 HydrophobicContact CD1-CB 3.7Å; I55-H69 HydrophobicContact CG1-CB 3.42Å; I55-H69 VanDerWaalsContact CG1-CB 3.42Å; I55-V70 HydrophobicContact CD1-CG2 4.42Å |
| 56 | P | 93.9 | Very high | 94.8 | Very high | 36 Ų | 36 | 76.8 Ų | 76.8 | 23% | 0.234 | 41% | 0.405 | C | S | . | . | trans | -71.4 | 127.8 | 178.1 | 24.7 | -31.8 | 0 | 0 | 0 | 112.3 | K49 S54 K59 V61 | K49-P56 WeakPolarHBondContact CE-O 3.35Å; K49-P56 PolarHBondContact NZ-O 3.34Å; S54-P56 WeakPolarHBondContact O-CD 3.46Å; P56-K59 HydrophobicContact CB-CD 3.75Å; P56-K59 HydrophobicContact CB-CG 3.82Å; P56-K59 HydrophobicContact CG-CD 3.28Å; P56-K59 HydrophobicContact CG-CG 3.56Å; P56-V61 HydrophobicContact CG-CG2 3.98Å | ||
| 57 | Q | 90.9 | Very high | 95.1 | Very high | 129 Ų | 129 | 77.1 Ų | 77.1 | 60% | 0.603 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -80.4 | -35.7 | -173.1 | -65.6 | -179.5 | -15.9 | 0 | 0 | 113.2 | K49 I55 K59 | K49-Q57 PolarHBondContact NZ-O 3.02Å; K49-Q57 PolarHBondContact O-NE2 3.37Å; I55-Q57 PolarHBondContact O-N 3.26Å; Q57-K59 PolarHBondContact O-N 3.45Å |
| 58 | N | 89.6 | Confident | 95.3 | Very high | 159 Ų | 159 | 77.6 Ų | 77.6 | 85% | 0.85 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -87.3 | 3.8 | -174.5 | 64.3 | -7.1 | 0 | 0 | 0 | 114.8 | ||
| 59 | K | 89.7 | Confident | 95.4 | Very high | 102 Ų | 102 | 77.6 Ų | 77.6 | 44% | 0.443 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -121.3 | 157.4 | 176.5 | 83.9 | -175.7 | -154 | -165 | 0 | 111.7 | K49 P56 Q57 V61 E65 | K49-K59 PolarHBondContact NZ-O 3.05Å; P56-K59 HydrophobicContact CB-CD 3.75Å; P56-K59 HydrophobicContact CB-CG 3.82Å; P56-K59 HydrophobicContact CG-CD 3.28Å; P56-K59 HydrophobicContact CG-CG 3.56Å; Q57-K59 PolarHBondContact O-N 3.45Å; K59-V61 HydrophobicContact CD-CG2 4.44Å; K59-V61 HydrophobicContact CG-CG2 3.79Å; K59-E65 IonicContact NZ-OE1 3.5Å |
| 60 | N | 91.9 | Very high | 95.5 | Very high | 167 Ų | 167 | 76.7 Ų | 76.7 | 89% | 0.893 | 40% | 0.402 | S | S | * | . | trans | -74.1 | 123.7 | 168.8 | -66.9 | -53.4 | 0 | 0 | 0 | 108.8 | ||||
| 61 | V | 94.8 | Very high | 95.7 | Very high | 23 Ų | 23 | 75.7 Ų | 75.7 | 14% | 0.139 | 40% | 0.399 | C | S | . | . | trans | -120.5 | 137.5 | 179.1 | -175.6 | 0 | 0 | 0 | 0 | 106.8 | I55 P56 K59 E65 I66 | I55-V61 HydrophobicContact CG2-CG2 4.23Å; P56-V61 HydrophobicContact CG-CG2 3.98Å; K59-V61 HydrophobicContact CD-CG2 4.44Å; K59-V61 HydrophobicContact CG-CG2 3.79Å; V61-E65 HydrophobicContact CG1-CB 3.72Å; V61-E65 HydrophobicContact CG1-CG 3.62Å; V61-I66 HydrophobicContact CB-CD1 4.39Å; V61-I66 HydrophobicContact CB-CG1 4.04Å; V61-I66 HydrophobicContact CG1-CG1 3.71Å | ||
| 62 | S | 97.1 | Very high | 95.8 | Very high | 62 Ų | 62 | 75.1 Ų | 75.1 | 43% | 0.434 | 40% | 0.396 | S | S | . | . | trans | -66.9 | 152 | 179.2 | 75 | 0 | 0 | 0 | 0 | 110.8 | M64 E65 I66 | S62-M64 PolarHBondContact O-N 3.11Å; S62-E65 PolarHBondContact O-N 2.89Å; S62-E65 VanDerWaalsContact O-N 3.17Å; S62-E65 VanDerWaalsContact OG-CB 3.23Å; S62-E65 WeakPolarHBondContact OG-CB 3.32Å; S62-E65 PolarHBondContact OG-N 3.42Å; S62-E65 VanDerWaalsContact OG-N 3.09Å; S62-I66 WeakPolarHBondContact O-CG1 3.32Å; S62-I66 PolarHBondContact O-N 3.47Å | ||
| 63 | K | 96.4 | Very high | 95.8 | Very high | 108 Ų | 108 | 78.5 Ų | 78.5 | 47% | 0.47 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55.3 | -38.7 | 175.5 | -70.1 | -179.3 | 175.9 | -179.8 | 0 | 111.4 | N42 Y45 I66 L67 | N42-K63 PolarHBondContact OD1-NZ 3.04Å; Y45-K63 HydrophobicContact CD1-CB 4.44Å; Y45-K63 HydrophobicContact CD1-CG 4.24Å; Y45-K63 HydrophobicContact CD2-CD 4.16Å; Y45-K63 HydrophobicContact CD2-CG 4.12Å; Y45-K63 HydrophobicContact CE1-CB 3.81Å; Y45-K63 HydrophobicContact CE1-CD 4.47Å; Y45-K63 HydrophobicContact CE1-CG 3.93Å; Y45-K63 HydrophobicContact CE2-CB 4.46Å; Y45-K63 HydrophobicContact CE2-CD 3.61Å; Y45-K63 HydrophobicContact CE2-CG 3.86Å; Y45-K63 HydrophobicContact CG-CG 4.35Å; K63-I66 PolarHBondContact O-N 3.48Å; K63-L67 VanDerWaalsContact O-CG 3.31Å; K63-L67 WeakPolarHBondContact O-CG 3.39Å; K63-L67 PolarHBondContact O-N 3.33Å; K63-L67 VanDerWaalsContact O-N 3.07Å |
| 64 | M | 98.1 | Very high | 95.9 | Very high | 118 Ų | 118 | 77.5 Ų | 77.5 | 58% | 0.581 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64 | -47.2 | 177.9 | -175 | 63.7 | -168.9 | 0 | 0 | 112.2 | S62 I66 L67 Q68 | S62-M64 PolarHBondContact O-N 3.11Å; M64-I66 VanDerWaalsContact C-N 3.31Å; M64-I66 PolarHBondContact O-N 3.37Å; M64-L67 PolarHBondContact O-N 3.23Å; M64-L67 VanDerWaalsContact O-N 3.12Å; M64-Q68 HydrophobicContact CE-CG 4.16Å; M64-Q68 WeakPolarHBondContact O-CG 3.45Å; M64-Q68 PolarHBondContact O-N 2.93Å |
| 65 | E | 97.8 | Very high | 96.1 | Very high | 60 Ų | 60 | 78.2 Ų | 78.2 | 28% | 0.28 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 179.1 | -175.3 | -178.3 | 162.1 | 0 | 0 | 111.2 | K59 V61 S62 L67 Q68 H69 | K59-E65 IonicContact NZ-OE1 3.5Å; V61-E65 HydrophobicContact CG1-CB 3.72Å; V61-E65 HydrophobicContact CG1-CG 3.62Å; S62-E65 PolarHBondContact O-N 2.89Å; S62-E65 VanDerWaalsContact O-N 3.17Å; S62-E65 VanDerWaalsContact OG-CB 3.23Å; S62-E65 WeakPolarHBondContact OG-CB 3.32Å; S62-E65 PolarHBondContact OG-N 3.42Å; S62-E65 VanDerWaalsContact OG-N 3.09Å; E65-L67 PolarHBondContact O-N 3.14Å; E65-Q68 PolarHBondContact O-N 3.12Å; E65-H69 PolarHBondContact O-CD2 3.19Å; E65-H69 PolarHBondContact O-N 2.77Å; E65-H69 VanDerWaalsContact O-N 3.12Å |
| 66 | I | 97.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 82.9 Ų | 82.9 | 4% | 0.036 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 170.9 | -66.6 | 170 | 0 | 0 | 0 | 110.7 | Y45 L48 K49 I55 V61 S62 K63 M64 Q68 H69 V70 | Y45-I66 HydrophobicContact CD1-CB 4.22Å; Y45-I66 HydrophobicContact CD1-CD1 4Å; Y45-I66 HydrophobicContact CD1-CG2 3.88Å; Y45-I66 HydrophobicContact CG-CD1 4.45Å; L48-I66 HydrophobicContact CB-CG2 3.87Å; L48-I66 HydrophobicContact CD1-CG2 4.06Å; K49-I66 HydrophobicContact CD-CD1 4.38Å; K49-I66 HydrophobicContact CG-CD1 4.14Å; I55-I66 HydrophobicContact CD1-CB 4.37Å; I55-I66 HydrophobicContact CD1-CG1 4.49Å; I55-I66 HydrophobicContact CD1-CG2 3.93Å; I55-I66 HydrophobicContact CG2-CG1 4.46Å; V61-I66 HydrophobicContact CB-CD1 4.39Å; V61-I66 HydrophobicContact CB-CG1 4.04Å; V61-I66 HydrophobicContact CG1-CG1 3.71Å; S62-I66 WeakPolarHBondContact O-CG1 3.32Å; S62-I66 PolarHBondContact O-N 3.47Å; K63-I66 PolarHBondContact O-N 3.48Å; M64-I66 VanDerWaalsContact C-N 3.31Å; M64-I66 PolarHBondContact O-N 3.37Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.47Å; I66-H69 PolarHBondContact O-N 2.9Å; I66-V70 HydrophobicContact CG2-CG2 4.29Å; I66-V70 WeakPolarHBondContact O-CG2 3.48Å; I66-V70 PolarHBondContact O-N 3.45Å |
| 67 | L | 98.2 | Very high | 96.2 | Very high | 73 Ų | 73 | 84.6 Ų | 84.6 | 38% | 0.382 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.7 | -37.7 | -179 | -67.6 | 176.2 | 0 | 0 | 0 | 112.5 | Y45 K63 M64 E65 V70 I71 | Y45-L67 HydrophobicContact CE1-CD2 4.2Å; Y45-L67 HydrophobicContact CE1-CG 4.26Å; K63-L67 VanDerWaalsContact O-CG 3.31Å; K63-L67 WeakPolarHBondContact O-CG 3.39Å; K63-L67 PolarHBondContact O-N 3.33Å; K63-L67 VanDerWaalsContact O-N 3.07Å; M64-L67 PolarHBondContact O-N 3.23Å; M64-L67 VanDerWaalsContact O-N 3.12Å; E65-L67 PolarHBondContact O-N 3.14Å; L67-V70 PolarHBondContact O-N 2.95Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.14Å; L67-I71 PolarHBondContact O-N 3.5Å |
| 68 | Q | 98.5 | Very high | 96.5 | Very high | 98 Ų | 98 | 83.9 Ų | 83.9 | 46% | 0.458 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.2 | -51.2 | 175.4 | -72 | 174.6 | -32.9 | 0 | 0 | 111.4 | M64 E65 I66 V70 I71 D72 | M64-Q68 HydrophobicContact CE-CG 4.16Å; M64-Q68 WeakPolarHBondContact O-CG 3.45Å; M64-Q68 PolarHBondContact O-N 2.93Å; E65-Q68 PolarHBondContact O-N 3.12Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.47Å; Q68-V70 PolarHBondContact O-N 3.25Å; Q68-I71 PolarHBondContact O-N 3.34Å; Q68-I71 VanDerWaalsContact O-N 3.11Å; Q68-D72 PolarHBondContact O-N 3.42Å |
| 69 | H | 98.2 | Very high | 96.7 | Very high | 47 Ų | 47 | 81.3 Ų | 81.3 | 22% | 0.218 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.4 | -33.9 | 177.3 | -75.1 | -58.9 | 0 | 0 | 0 | 113.3 | V52 S54 I55 E65 I66 Y73 | V52-H69 HydrophobicContact CG1-CB 4.13Å; S54-H69 PolarHBondContact OG-ND1 3.21Å; I55-H69 HydrophobicContact CD1-CB 3.7Å; I55-H69 HydrophobicContact CG1-CB 3.42Å; I55-H69 VanDerWaalsContact CG1-CB 3.42Å; E65-H69 PolarHBondContact O-CD2 3.19Å; E65-H69 PolarHBondContact O-N 2.77Å; E65-H69 VanDerWaalsContact O-N 3.12Å; I66-H69 PolarHBondContact O-N 2.9Å; H69-Y73 VanDerWaalsContact O-CB 3.32Å; H69-Y73 WeakPolarHBondContact O-CB 3.46Å; H69-Y73 PolarHBondContact O-N 2.9Å |
| 70 | V | 98.3 | Very high | 97 | Very high | 21 Ų | 21 | 79.5 Ų | 79.5 | 13% | 0.127 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67.6 | -41.7 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | L48 V52 I55 I66 L67 Q68 Y73 I74 | L48-V70 HydrophobicContact CB-CG2 4.04Å; L48-V70 HydrophobicContact CD1-CG2 4.16Å; L48-V70 HydrophobicContact CD2-CG1 4.29Å; L48-V70 HydrophobicContact CD2-CG2 3.78Å; L48-V70 HydrophobicContact CG-CG2 4.19Å; V52-V70 HydrophobicContact CG2-CB 4.47Å; V52-V70 HydrophobicContact CG2-CG2 3.69Å; I55-V70 HydrophobicContact CD1-CG2 4.42Å; I66-V70 HydrophobicContact CG2-CG2 4.29Å; I66-V70 WeakPolarHBondContact O-CG2 3.48Å; I66-V70 PolarHBondContact O-N 3.45Å; L67-V70 PolarHBondContact O-N 2.95Å; Q68-V70 PolarHBondContact O-N 3.25Å; V70-Y73 PolarHBondContact O-N 3.11Å; V70-I74 HydrophobicContact CG1-CD1 3.82Å; V70-I74 HydrophobicContact CG1-CG1 4.49Å; V70-I74 VanDerWaalsContact O-CG1 3.28Å; V70-I74 WeakPolarHBondContact O-CG1 3.23Å; V70-I74 PolarHBondContact O-N 3.43Å |
| 71 | I | 98.3 | Very high | 97.1 | Very high | 99 Ų | 99 | 76.6 Ų | 76.6 | 51% | 0.508 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.9 | -51 | 176.6 | -68.9 | 163 | 0 | 0 | 0 | 109.7 | L67 Q68 Y73 I74 L75 | L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.14Å; L67-I71 PolarHBondContact O-N 3.5Å; Q68-I71 PolarHBondContact O-N 3.34Å; Q68-I71 VanDerWaalsContact O-N 3.11Å; I71-Y73 VanDerWaalsContact C-N 3.31Å; I71-Y73 PolarHBondContact O-N 3.37Å; I71-I74 PolarHBondContact O-N 3.03Å; I71-L75 HydrophobicContact CG2-CD1 3.89Å; I71-L75 HydrophobicContact CG2-CG 4.42Å; I71-L75 WeakPolarHBondContact O-CG 3.45Å; I71-L75 PolarHBondContact O-N 3.23Å |
| 72 | D | 98.1 | Very high | 96.8 | Very high | 86 Ų | 86 | 79.7 Ų | 79.7 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 180 | -65.2 | -23 | 0 | 0 | 0 | 111.3 | Q68 I74 L75 D76 | Q68-D72 PolarHBondContact O-N 3.42Å; D72-I74 PolarHBondContact O-N 3.17Å; D72-L75 PolarHBondContact O-N 3.23Å; D72-D76 PolarHBondContact O-N 2.98Å |
| 73 | Y | 98.4 | Very high | 95.8 | Very high | 76 Ų | 76 | 80 Ų | 80 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 179.2 | -176 | -126 | 0 | 0 | 0 | 113.1 | L51 V52 P53 H69 V70 I71 L77 | L51-Y73 WeakPolarHBondContact O-CE1 3.23Å; V52-Y73 HydrophobicContact CB-CD1 4.42Å; V52-Y73 HydrophobicContact CG1-CD1 4.37Å; V52-Y73 HydrophobicContact CG1-CG 4.14Å; V52-Y73 HydrophobicContact CG2-CD1 3.92Å; V52-Y73 HydrophobicContact CG2-CG 4.46Å; P53-Y73 HydrophobicContact CG-CE2 4.08Å; H69-Y73 VanDerWaalsContact O-CB 3.32Å; H69-Y73 WeakPolarHBondContact O-CB 3.46Å; H69-Y73 PolarHBondContact O-N 2.9Å; V70-Y73 PolarHBondContact O-N 3.11Å; I71-Y73 VanDerWaalsContact C-N 3.31Å; I71-Y73 PolarHBondContact O-N 3.37Å; Y73-L77 HydrophobicContact CD1-CD1 3.98Å; Y73-L77 HydrophobicContact CD2-CD1 4.39Å; Y73-L77 HydrophobicContact CD2-CG 4.23Å; Y73-L77 HydrophobicContact CE1-CD1 3.6Å; Y73-L77 HydrophobicContact CE1-CG 4.4Å; Y73-L77 HydrophobicContact CE2-CD1 4.01Å; Y73-L77 HydrophobicContact CE2-CD2 4.06Å; Y73-L77 HydrophobicContact CE2-CG 3.92Å; Y73-L77 HydrophobicContact CG-CD1 4.38Å; Y73-L77 WeakPolarHBondContact O-CB 3.37Å; Y73-L77 VanDerWaalsContact O-CG 3.23Å; Y73-L77 WeakPolarHBondContact O-CG 3.28Å; Y73-L77 PolarHBondContact O-N 3.07Å |
| 74 | I | 98.2 | Very high | 94.4 | Very high | 84 Ų | 84 | 78 Ų | 78 | 43% | 0.431 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.4 | -70.5 | 168 | 0 | 0 | 0 | 110.5 | V70 I71 D72 L77 Q78 | V70-I74 HydrophobicContact CG1-CD1 3.82Å; V70-I74 HydrophobicContact CG1-CG1 4.49Å; V70-I74 VanDerWaalsContact O-CG1 3.28Å; V70-I74 WeakPolarHBondContact O-CG1 3.23Å; V70-I74 PolarHBondContact O-N 3.43Å; I71-I74 PolarHBondContact O-N 3.03Å; D72-I74 PolarHBondContact O-N 3.17Å; I74-L77 PolarHBondContact O-N 3.44Å; I74-Q78 HydrophobicContact CG2-CG 4.39Å; I74-Q78 WeakPolarHBondContact O-CB 3.43Å; I74-Q78 VanDerWaalsContact O-CG 3.26Å; I74-Q78 WeakPolarHBondContact O-CG 3.2Å; I74-Q78 PolarHBondContact O-N 2.99Å |
| 75 | L | 97.8 | Very high | 92.6 | Very high | 82 Ų | 82 | 79.1 Ų | 79.1 | 43% | 0.429 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63 | -45 | 178.8 | -66.9 | 172.1 | 0 | 0 | 0 | 111.3 | I71 D72 L77 Q78 I79 | I71-L75 HydrophobicContact CG2-CD1 3.89Å; I71-L75 HydrophobicContact CG2-CG 4.42Å; I71-L75 WeakPolarHBondContact O-CG 3.45Å; I71-L75 PolarHBondContact O-N 3.23Å; D72-L75 PolarHBondContact O-N 3.23Å; L75-L77 PolarHBondContact O-N 3.45Å; L75-Q78 WeakPolarHBondContact O-CB 3.3Å; L75-Q78 PolarHBondContact O-N 3.09Å; L75-I79 WeakPolarHBondContact O-CG1 3.31Å; L75-I79 PolarHBondContact O-N 3.46Å |
| 76 | D | 96.8 | Very high | 90.7 | Very high | 104 Ų | 104 | 82.5 Ų | 82.5 | 56% | 0.556 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61 | -44.9 | 176.9 | -74.2 | -15.5 | 0 | 0 | 0 | 111.8 | D72 Q78 I79 A80 | D72-D76 PolarHBondContact O-N 2.98Å; D76-Q78 VanDerWaalsContact C-N 3.34Å; D76-Q78 PolarHBondContact O-N 3.12Å; D76-I79 PolarHBondContact O-N 3.47Å; D76-A80 WeakPolarHBondContact O-CB 3.44Å; D76-A80 PolarHBondContact O-N 3.27Å |
| 77 | L | 96.9 | Very high | 88.4 | Confident | 71 Ų | 71 | 89.3 Ų | 89.3 | 37% | 0.372 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 176.3 | -73.1 | 178.1 | 0 | 0 | 0 | 112 | Y73 I74 L75 A80 L81 | Y73-L77 HydrophobicContact CD1-CD1 3.98Å; Y73-L77 HydrophobicContact CD2-CD1 4.39Å; Y73-L77 HydrophobicContact CD2-CG 4.23Å; Y73-L77 HydrophobicContact CE1-CD1 3.6Å; Y73-L77 HydrophobicContact CE1-CG 4.4Å; Y73-L77 HydrophobicContact CE2-CD1 4.01Å; Y73-L77 HydrophobicContact CE2-CD2 4.06Å; Y73-L77 HydrophobicContact CE2-CG 3.92Å; Y73-L77 HydrophobicContact CG-CD1 4.38Å; Y73-L77 WeakPolarHBondContact O-CB 3.37Å; Y73-L77 VanDerWaalsContact O-CG 3.23Å; Y73-L77 WeakPolarHBondContact O-CG 3.28Å; Y73-L77 PolarHBondContact O-N 3.07Å; I74-L77 PolarHBondContact O-N 3.44Å; L75-L77 PolarHBondContact O-N 3.45Å; L77-A80 PolarHBondContact O-N 3.26Å; L77-L81 WeakPolarHBondContact O-CB 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.31Å; L77-L81 PolarHBondContact O-N 2.97Å |
| 78 | Q | 95.8 | Very high | 86 | Confident | 114 Ų | 114 | 90.8 Ų | 90.8 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 176.4 | -76.9 | 174.7 | -9.9 | 0 | 0 | 111.4 | I74 L75 D76 L81 D82 | I74-Q78 HydrophobicContact CG2-CG 4.39Å; I74-Q78 WeakPolarHBondContact O-CB 3.43Å; I74-Q78 VanDerWaalsContact O-CG 3.26Å; I74-Q78 WeakPolarHBondContact O-CG 3.2Å; I74-Q78 PolarHBondContact O-N 2.99Å; L75-Q78 WeakPolarHBondContact O-CB 3.3Å; L75-Q78 PolarHBondContact O-N 3.09Å; D76-Q78 VanDerWaalsContact C-N 3.34Å; D76-Q78 PolarHBondContact O-N 3.12Å; Q78-L81 PolarHBondContact O-N 3.22Å; Q78-D82 VanDerWaalsContact O-CB 3.26Å; Q78-D82 WeakPolarHBondContact O-CB 3.44Å; Q78-D82 PolarHBondContact O-N 2.99Å |
| 79 | I | 95.1 | Very high | 83.6 | Confident | 106 Ų | 106 | 90.2 Ų | 90.2 | 54% | 0.544 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 178.1 | -64.3 | 161.7 | 0 | 0 | 0 | 111.2 | L75 D76 L81 D82 S83 | L75-I79 WeakPolarHBondContact O-CG1 3.31Å; L75-I79 PolarHBondContact O-N 3.46Å; D76-I79 PolarHBondContact O-N 3.47Å; I79-L81 VanDerWaalsContact C-N 3.35Å; I79-L81 PolarHBondContact O-N 3.05Å; I79-D82 PolarHBondContact O-N 3.48Å; I79-S83 WeakPolarHBondContact O-CB 3.02Å; I79-S83 PolarHBondContact O-N 3.46Å; I79-S83 PolarHBondContact O-OG 3.34Å |
| 80 | A | 94.6 | Very high | 81.2 | Confident | 63 Ų | 63 | 92.5 Ų | 92.5 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D76 L77 S84 | D76-A80 WeakPolarHBondContact O-CB 3.44Å; D76-A80 PolarHBondContact O-N 3.27Å; L77-A80 PolarHBondContact O-N 3.26Å; A80-S84 PolarHBondContact O-N 3.41Å |
| 81 | L | 94.6 | Very high | 78.8 | Confident | 107 Ų | 107 | 101.7 Ų | 101.7 | 56% | 0.56 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.6 | -45.1 | 177.9 | -69.9 | 172.5 | 0 | 0 | 0 | 111.7 | L77 Q78 I79 S83 S84 L85 | L77-L81 WeakPolarHBondContact O-CB 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.31Å; L77-L81 PolarHBondContact O-N 2.97Å; Q78-L81 PolarHBondContact O-N 3.22Å; I79-L81 VanDerWaalsContact C-N 3.35Å; I79-L81 PolarHBondContact O-N 3.05Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.4Å; L81-S84 WeakPolarHBondContact O-CB 3.14Å; L81-S84 PolarHBondContact O-N 3.26Å; L81-S84 PolarHBondContact O-OG 3.4Å; L81-L85 WeakPolarHBondContact O-CG 3.49Å; L81-L85 PolarHBondContact O-N 2.79Å |
| 82 | D | 89 | Confident | 76.2 | Confident | 87 Ų | 87 | 103.3 Ų | 103.3 | 47% | 0.465 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.7 | -39.9 | -179.9 | -168.4 | 58 | 0 | 0 | 0 | 112 | Q78 I79 S84 L85 H86 | Q78-D82 VanDerWaalsContact O-CB 3.26Å; Q78-D82 WeakPolarHBondContact O-CB 3.44Å; Q78-D82 PolarHBondContact O-N 2.99Å; I79-D82 PolarHBondContact O-N 3.48Å; D82-S84 VanDerWaalsContact C-N 3.3Å; D82-S84 PolarHBondContact O-N 3.4Å; D82-L85 PolarHBondContact O-N 2.85Å; D82-H86 WeakPolarHBondContact O-CB 3.34Å; D82-H86 PolarHBondContact O-N 2.87Å; D82-H86 PolarHBondContact O-ND1 2.94Å; D82-H86 IonicContact OD1-CE1 2.77Å; D82-H86 PolarHBondContact OD1-CE1 3.03Å; D82-H86 IonicContact OD1-ND1 3.25Å; D82-H86 PolarHBondContact OD1-ND1 3.08Å; D82-H86 IonicContact OD2-CE1 3.1Å; D82-H86 IonicContact OD2-ND1 3.4Å; D82-H86 PolarHBondContact OD2-ND1 3.46Å |
| 83 | S | 75.5 | Confident | 73.9 | Confident | 68 Ų | 68 | 102 Ų | 102 | 48% | 0.476 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.3 | -35.7 | 173.9 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | I79 L81 H87 | I79-S83 WeakPolarHBondContact O-CB 3.02Å; I79-S83 PolarHBondContact O-N 3.46Å; I79-S83 PolarHBondContact O-OG 3.34Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.4Å; S83-H87 PolarHBondContact O-CD2 3.34Å; S83-H87 PolarHBondContact O-N 3.45Å |
| 84 | S | 67.5 | Low | 71.3 | Confident | 66 Ų | 66 | 107 Ų | 107 | 46% | 0.462 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.5 | -30.4 | 178.5 | 76.9 | 0 | 0 | 0 | 0 | 113.2 | A80 L81 D82 | A80-S84 PolarHBondContact O-N 3.41Å; L81-S84 WeakPolarHBondContact O-CB 3.14Å; L81-S84 PolarHBondContact O-N 3.26Å; L81-S84 PolarHBondContact O-OG 3.4Å; D82-S84 VanDerWaalsContact C-N 3.3Å; D82-S84 PolarHBondContact O-N 3.4Å |
| 85 | L | 60.6 | Low | 69.1 | Low | 142 Ų | 142 | 109.1 Ų | 109.1 | 74% | 0.743 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.1 | -23.8 | 176.4 | -61.7 | -171.6 | 0 | 0 | 0 | 112.8 | L81 D82 | L81-L85 WeakPolarHBondContact O-CG 3.49Å; L81-L85 PolarHBondContact O-N 2.79Å; D82-L85 PolarHBondContact O-N 2.85Å |
| 86 | H | 56.9 | Low | 66.9 | Low | 132 Ų | 132 | 109 Ų | 109 | 61% | 0.611 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -87.6 | 0.8 | 176.9 | -76.9 | 98.5 | 0 | 0 | 0 | 114.7 | D82 P88 | D82-H86 WeakPolarHBondContact O-CB 3.34Å; D82-H86 PolarHBondContact O-N 2.87Å; D82-H86 PolarHBondContact O-ND1 2.94Å; D82-H86 IonicContact OD1-CE1 2.77Å; D82-H86 PolarHBondContact OD1-CE1 3.03Å; D82-H86 IonicContact OD1-ND1 3.25Å; D82-H86 PolarHBondContact OD1-ND1 3.08Å; D82-H86 IonicContact OD2-CE1 3.1Å; D82-H86 IonicContact OD2-ND1 3.4Å; D82-H86 PolarHBondContact OD2-ND1 3.46Å; H86-P88 WeakPolarHBondContact O-CD 3.28Å; H86-P88 VanDerWaalsContact O-N 3.11Å |
| 87 | H | 49.4 | Very low | 65 | Low | 149 Ų | 149 | 110 Ų | 110 | 69% | 0.69 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -66.6 | 107.3 | 157.8 | -83.3 | -77 | 0 | 0 | 0 | 107.3 | S83 A89 | S83-H87 PolarHBondContact O-CD2 3.34Å; S83-H87 PolarHBondContact O-N 3.45Å; H87-A89 PolarHBondContact O-N 3.38Å |
| 88 | P | 47.1 | Very low | 63.2 | Low | 105 Ų | 105 | 117.5 Ų | 117.5 | 68% | 0.682 | 68% | 0.676 | S | S | * | * | trans | -63.8 | 117.7 | 165.3 | 10.3 | 6.5 | 0 | 0 | 0 | 103.4 | H86 A90 | H86-P88 WeakPolarHBondContact O-CD 3.28Å; H86-P88 VanDerWaalsContact O-N 3.11Å; P88-A90 PolarHBondContact O-N 3.36Å | ||
| 89 | A | 48.7 | Very low | 61.4 | Low | 86 Ų | 86 | 118.6 Ų | 118.6 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | trans | -47.7 | 102.6 | 145.4 | 0 | 0 | 0 | 0 | 0 | 104.4 | H87 R91 | H87-A89 PolarHBondContact O-N 3.38Å; A89-R91 PolarHBondContact O-N 3.27Å | ||
| 90 | A | 47.2 | Very low | 59.7 | Low | 94 Ų | 94 | 117.9 Ų | 117.9 | 78% | 0.777 | 69% | 0.693 | S | S | * | * | trans | -65.2 | 83.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | P88 P92 | P88-A90 PolarHBondContact O-N 3.36Å; A90-P92 WeakPolarHBondContact O-CD 3.49Å | ||
| 91 | R | 48.3 | Very low | 57.7 | Low | 214 Ų | 214 | 122.6 Ų | 122.6 | 81% | 0.808 | 71% | 0.708 | S | S | * | * | trans | -78 | 113 | 159.6 | -70.9 | -174.6 | 73.3 | 154.3 | 2.2 | 104.5 | A89 G93 | A89-R91 PolarHBondContact O-N 3.27Å; R91-G93 PolarHBondContact O-N 3.35Å | ||
| 92 | P | 43.1 | Very low | 56 | Low | 133 Ų | 133 | 122 Ų | 122 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -70.3 | 118.7 | 173.1 | 28.4 | -26.6 | 0 | 0 | 0 | 106.9 | A90 | A90-P92 WeakPolarHBondContact O-CD 3.49Š|
| 93 | G | 49.5 | Very low | 54.5 | Low | 60 Ų | 60 | 121.2 Ų | 121.2 | 62% | 0.619 | 72% | 0.715 | S | S | * | * | trans | 100.5 | 87 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115 | R91 | R91-G93 PolarHBondContact O-N 3.35Š| ||
| 94 | Q | 45.2 | Very low | 53.7 | Low | 181 Ų | 181 | 124.1 Ų | 124.1 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | trans | -165.3 | 95.7 | 135.8 | -106.6 | 158 | 77.5 | 0 | 0 | 110.2 | A96 | Q94-A96 PolarHBondContact O-N 3.29Å; Q94-A96 VanDerWaalsContact O-N 3.16Å | ||
| 95 | S | 52.5 | Low | 53.2 | Low | 127 Ų | 127 | 126 Ų | 126 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | trans | -65.1 | 99.5 | 159 | 49.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 96 | A | 50.9 | Low | 53.2 | Low | 80 Ų | 80 | 123 Ų | 123 | 66% | 0.661 | 72% | 0.717 | S | S | * | * | trans | -109 | 97.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q94 R98 | Q94-A96 PolarHBondContact O-N 3.29Å; Q94-A96 VanDerWaalsContact O-N 3.16Å; A96-R98 VanDerWaalsContact C-N 3.34Å; A96-R98 PolarHBondContact O-N 2.78Å | ||
| 97 | S | 55.5 | Low | 53.1 | Low | 124 Ų | 124 | 121.3 Ų | 121.3 | 87% | 0.867 | 71% | 0.713 | S | S | * | * | trans | -51.9 | 93.6 | 165 | 44.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 98 | R | 60.1 | Low | 53.6 | Low | 229 Ų | 229 | 120 Ų | 120 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | trans | -95.6 | 112.6 | 165.7 | -74.6 | -170.8 | 153.1 | -162.5 | -6.7 | 107.8 | A96 | A96-R98 VanDerWaalsContact C-N 3.34Å; A96-R98 PolarHBondContact O-N 2.78Å | ||
| 99 | T | 58.3 | Low | 53.9 | Low | 138 Ų | 138 | 118.9 Ų | 118.9 | 85% | 0.847 | 70% | 0.704 | S | S | * | * | trans | -57.6 | 129.1 | 168 | 26.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 100 | P | 58.5 | Low | 54.4 | Low | 90 Ų | 90 | 120.4 Ų | 120.4 | 58% | 0.584 | 70% | 0.699 | S | S | * | * | trans | -73.3 | 141.6 | -178.3 | 28.7 | -33.4 | 0 | 0 | 0 | 111.1 | T102 A103 | P100-T102 PolarHBondContact O-N 3.23Å; P100-A103 PolarHBondContact O-N 3.11Å | ||
| 101 | L | 52.7 | Low | 54.7 | Low | 162 Ų | 162 | 123.1 Ų | 123.1 | 85% | 0.848 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -7.7 | 176.7 | -79.4 | 159.8 | 0 | 0 | 0 | 114.3 | A103 | L101-A103 VanDerWaalsContact C-N 3.27Å; L101-A103 PolarHBondContact O-N 2.84Å |
| 102 | T | 60.3 | Low | 55 | Low | 94 Ų | 94 | 117.8 Ų | 117.8 | 58% | 0.577 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -28.9 | 179.3 | -33.6 | 0 | 0 | 0 | 0 | 113.5 | P100 L104 N105 | P100-T102 PolarHBondContact O-N 3.23Å; T102-L104 VanDerWaalsContact C-N 3.33Å; T102-L104 PolarHBondContact O-N 3.44Å; T102-N105 PolarHBondContact O-N 2.75Å |
| 103 | A | 56.4 | Low | 55.4 | Low | 71 Ų | 71 | 118.6 Ų | 118.6 | 59% | 0.587 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -62.5 | -35.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P100 L101 | P100-A103 PolarHBondContact O-N 3.11Å; L101-A103 VanDerWaalsContact C-N 3.27Å; L101-A103 PolarHBondContact O-N 2.84Å |
| 104 | L | 59.1 | Low | 55.3 | Low | 129 Ų | 129 | 124.4 Ų | 124.4 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -84.5 | -11.6 | -179.3 | -62.3 | -177.8 | 0 | 0 | 0 | 113.7 | T102 | T102-L104 VanDerWaalsContact C-N 3.33Å; T102-L104 PolarHBondContact O-N 3.44Å |
| 105 | N | 57.6 | Low | 55 | Low | 106 Ų | 106 | 121.7 Ų | 121.7 | 57% | 0.567 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -84.6 | -26.5 | 179.7 | -158.1 | 6.5 | 0 | 0 | 0 | 111.7 | T102 D107 I108 | T102-N105 PolarHBondContact O-N 2.75Å; N105-D107 VanDerWaalsContact C-N 3.33Å; N105-D107 PolarHBondContact O-N 2.76Å; N105-I108 PolarHBondContact O-N 3.14Å |
| 106 | T | 60.6 | Low | 54.6 | Low | 80 Ų | 80 | 121 Ų | 121 | 49% | 0.491 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -66.2 | -34.8 | 177.7 | -52.6 | 0 | 0 | 0 | 0 | 112.3 | I108 S109 I110 | T106-I108 VanDerWaalsContact C-N 3.29Å; T106-I108 PolarHBondContact O-N 3.08Å; T106-S109 PolarHBondContact O-N 2.93Å; T106-I110 HydrophobicContact CG2-CG1 4.36Å; T106-I110 VanDerWaalsContact O-CG1 3.31Å; T106-I110 WeakPolarHBondContact O-CG1 3.14Å; T106-I110 PolarHBondContact O-N 3.19Å |
| 107 | D | 55 | Low | 53.9 | Low | 96 Ų | 96 | 126 Ų | 126 | 51% | 0.513 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -66.3 | -30 | -178.5 | -64.5 | -39.8 | 0 | 0 | 0 | 112.9 | N105 I110 L111 | N105-D107 VanDerWaalsContact C-N 3.33Å; N105-D107 PolarHBondContact O-N 2.76Å; D107-I110 PolarHBondContact O-N 3.38Å; D107-L111 PolarHBondContact O-N 3.19Å |
| 108 | I | 58.1 | Low | 53.1 | Low | 121 Ų | 121 | 129.1 Ų | 129.1 | 62% | 0.621 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -68.5 | -37.7 | 177.6 | -61.7 | 179.5 | 0 | 0 | 0 | 111 | N105 T106 | N105-I108 PolarHBondContact O-N 3.14Å; T106-I108 VanDerWaalsContact C-N 3.29Å; T106-I108 PolarHBondContact O-N 3.08Å |
| 109 | S | 55.3 | Low | 52.2 | Low | 82 Ų | 82 | 124.1 Ų | 124.1 | 57% | 0.573 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -74 | -29.5 | 177.7 | -72.6 | 0 | 0 | 0 | 0 | 113.4 | T106 | T106-S109 PolarHBondContact O-N 2.93Å |
| 110 | I | 58.5 | Low | 51.6 | Low | 117 Ų | 117 | 122.6 Ų | 122.6 | 60% | 0.6 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -72.8 | -34 | -177.7 | -64.6 | -79.6 | 0 | 0 | 0 | 111.6 | T106 D107 S112 | T106-I110 HydrophobicContact CG2-CG1 4.36Å; T106-I110 VanDerWaalsContact O-CG1 3.31Å; T106-I110 WeakPolarHBondContact O-CG1 3.14Å; T106-I110 PolarHBondContact O-N 3.19Å; D107-I110 PolarHBondContact O-N 3.38Å; I110-S112 PolarHBondContact O-N 2.62Å |
| 111 | L | 53.6 | Low | 50.6 | Low | 151 Ų | 151 | 126.9 Ų | 126.9 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -18.6 | 179.2 | -72.8 | 163.4 | 0 | 0 | 0 | 113.9 | D107 | D107-L111 PolarHBondContact O-N 3.19Š|
| 112 | S | 53.3 | Low | 49.9 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -3.7 | -174.8 | -167.3 | 0 | 0 | 0 | 0 | 114.5 | I110 | I110-S112 PolarHBondContact O-N 2.62Š|
| 113 | L | 52.3 | Low | 49 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | trans | -110.4 | 64.3 | -177.5 | -68.2 | 170.8 | 0 | 0 | 0 | 111 | ||||
| 114 | Q | 47.8 | Very low | 48.4 | Very low | 182 Ų | 182 | 133.4 Ų | 133.4 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | trans | -142.6 | 71.2 | 165.4 | -154.3 | 148.2 | -2.7 | 0 | 0 | 111.8 | ||||
| 115 | S | 38.2 | Very low | 47.5 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 87% | 0.867 | 72% | 0.719 | S | S | * | * | trans | -120.2 | 115.6 | 150.6 | -87.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 116 | P | 44.1 | Very low | 47 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | -85.2 | 136.8 | 175.6 | 32.6 | -29.8 | 0 | 0 | 0 | 111.4 | ||||
| 117 | E | 36.3 | Very low | 46.5 | Very low | 185 Ų | 185 | 135.3 Ų | 135.3 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | trans | 70.1 | 101.5 | 137.9 | -138.7 | 148 | 95.7 | 0 | 0 | 119.8 | ||||
| 118 | F | 39.1 | Very low | 46 | Very low | 189 Ų | 189 | 141.2 Ų | 141.2 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | trans | -70.3 | 155.9 | 152.6 | -95.8 | -90.4 | 0 | 0 | 0 | 110.2 | ||||
| 119 | P | 42.2 | Very low | 45.5 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | -126.6 | 133.9 | 124.5 | 6.2 | 14.5 | 0 | 0 | 0 | 113 | |||||
| 120 | S | 44 | Very low | 45.1 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -62.6 | 137.1 | 164.2 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 121 | E | 37.5 | Very low | 44.4 | Very low | 180 Ų | 180 | 151.4 Ų | 151.4 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | trans | 175.6 | 141.4 | 155.7 | -83.7 | -131.3 | 103.6 | 0 | 0 | 104.6 | ||||
| 122 | L | 38.6 | Very low | 43.9 | Very low | 124 Ų | 124 | 158.9 Ų | 158.9 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | cis | 179.2 | 135.8 | 10.3 | 173.4 | 95.4 | 0 | 0 | 0 | 104.3 | ||||
| 123 | R | 40.8 | Very low | 43.5 | Very low | 211 Ų | 211 | 161.7 Ų | 161.7 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | 66.1 | 126.8 | 152.4 | -75.1 | 168.6 | 94.6 | 158.5 | 10.8 | 121.7 | ||||
| 124 | T | 45.5 | Very low | 43 | Very low | 128 Ų | 128 | 162.3 Ų | 162.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | 12.7 | 117.9 | 121.4 | -58.8 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 125 | D | 39.8 | Very low | 42.7 | Very low | 126 Ų | 126 | 161.2 Ų | 161.2 | 67% | 0.674 | 80% | 0.804 | S | S | * | * | -165.8 | 127 | 119.8 | -163.9 | -116.5 | 0 | 0 | 0 | 111.2 | S127 | D125-S127 WeakPolarHBondContact OD1-CB 3.44Å; D125-S127 PolarHBondContact OD1-OG 3.28Å | |||
| 126 | D | 47.1 | Very low | 43 | Very low | 161 Ų | 161 | 163.4 Ų | 163.4 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -85.9 | 103.3 | 166.7 | -169.3 | -58.7 | 0 | 0 | 0 | 106.5 | ||||
| 127 | S | 48.7 | Very low | 42.9 | Very low | 69 Ų | 69 | 166.5 Ų | 166.5 | 48% | 0.483 | 81% | 0.805 | S | S | . | * | trans | -166.3 | 140.2 | 161.2 | 60.9 | 0 | 0 | 0 | 0 | 115.3 | D125 | D125-S127 WeakPolarHBondContact OD1-CB 3.44Å; D125-S127 PolarHBondContact OD1-OG 3.28Å | ||
| 128 | R | 44.9 | Very low | 43.4 | Very low | 219 Ų | 219 | 165.3 Ų | 165.3 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | 96.8 | 95.3 | 147.3 | -72.2 | 162.4 | -161.4 | -152.3 | 6.1 | 119.8 | ||||
| 129 | T | 48.3 | Very low | 43.7 | Very low | 116 Ų | 116 | 163.6 Ų | 163.6 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | 49.8 | 96.5 | 114.7 | 57.2 | 0 | 0 | 0 | 0 | 117.2 | R131 | T129-R131 PolarHBondContact O-N 2.98Š| |||
| 130 | L | 46.9 | Very low | 43.8 | Very low | 186 Ų | 186 | 166.7 Ų | 166.7 | 97% | 0.974 | 80% | 0.799 | S | S | * | * | trans | -72.9 | 85.8 | 152.6 | -139.8 | 89.4 | 0 | 0 | 0 | 108.3 | ||||
| 131 | R | 43.1 | Very low | 43.8 | Very low | 232 Ų | 232 | 171.7 Ų | 171.7 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | trans | -85.7 | 111.5 | 150.9 | -77.4 | -155.5 | 173.1 | -167.2 | -0.5 | 106.9 | T129 | T129-R131 PolarHBondContact O-N 2.98Š| ||
| 132 | R | 44.3 | Very low | 44.4 | Very low | 308 Ų | 308 | 170.9 Ų | 170.9 | 100% | 1.162 | 80% | 0.8 | S | S | * | * | 172.7 | 0 | 119.1 | -165.3 | 170.2 | -166 | 146.6 | 0.8 | 109.9 |
Retrieved 132 of 132 residues in 128.9 ms
(Link to these results)