| 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 | 47.1 | Very low | 52.6 | Low | 253 Ų | 253 | 139.2 Ų | 139.2 | 100% | 1.246 | 84% | 0.843 | S | S | * | * | 0 | 111.9 | 0 | -63.6 | 172 | 179.1 | 0 | 0 | 106 | |||||
| 2 | A | 45.8 | Very low | 53.1 | Low | 94 Ų | 94 | 137 Ų | 137 | 78% | 0.777 | 83% | 0.834 | S | S | * | * | cis | -142.2 | 136.1 | 8.4 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 3 | A | 44.6 | Very low | 52.4 | Low | 104 Ų | 104 | 145.3 Ų | 145.3 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | 59.3 | 93.5 | 63.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 4 | A | 56.8 | Low | 51.6 | Low | 102 Ų | 102 | 149.3 Ų | 149.3 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | trans | -144.7 | 97.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 5 | A | 53.7 | Low | 51.3 | Low | 81 Ų | 81 | 146.8 Ų | 146.8 | 67% | 0.669 | 84% | 0.836 | S | S | * | * | trans | -79.3 | 136.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L7 | A5-L7 HydrophobicContact CB-CD1 4Š| ||
| 6 | Y | 56.5 | Low | 51.6 | Low | 238 Ų | 238 | 141.9 Ų | 141.9 | 93% | 0.933 | 81% | 0.812 | S | S | * | * | trans | -111.6 | 104.6 | 153.2 | -96.1 | -89.5 | 0 | 0 | 0 | 107.5 | ||||
| 7 | L | 58.7 | Low | 51.2 | Low | 143 Ų | 143 | 136.9 Ų | 136.9 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -70.1 | 166.2 | 169.4 | -97 | 73.3 | 0 | 0 | 0 | 110.7 | A5 | A5-L7 HydrophobicContact CB-CD1 4Š| ||
| 8 | K | 54.3 | Low | 51.3 | Low | 202 Ų | 202 | 138.7 Ų | 138.7 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | 91.6 | 122.2 | 144.9 | -139 | 157.5 | 177.6 | 162.7 | 0 | 113.2 | ||||
| 9 | A | 51.4 | Low | 51.1 | Low | 85 Ų | 85 | 140.1 Ų | 140.1 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | cis | -150.1 | 144.3 | 29.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 10 | A | 51.8 | Low | 50.7 | Low | 99 Ų | 99 | 144.9 Ų | 144.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -66.3 | 130 | 163 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 11 | T | 57.6 | Low | 50.7 | Low | 130 Ų | 130 | 141.5 Ų | 141.5 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | -115.5 | 120.7 | 151.1 | 47.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 12 | P | 59.2 | Low | 51 | Low | 113 Ų | 113 | 137.3 Ų | 137.3 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -69.5 | 148.1 | -178.9 | 30 | -32 | 0 | 0 | 0 | 109.9 | Y14 | P12-Y14 PolarHBondContact O-N 3.16Š| ||
| 13 | Y | 43.6 | Very low | 50.9 | Low | 245 Ų | 245 | 140.5 Ų | 140.5 | 96% | 0.961 | 78% | 0.778 | S | S | * | * | trans | -52.5 | 101.7 | 166.5 | -107.6 | -102.8 | 0 | 0 | 0 | 109 | ||||
| 14 | Y | 41.2 | Very low | 51.1 | Low | 201 Ų | 201 | 139.7 Ų | 139.7 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | -89.6 | 105 | 168.7 | -176.9 | -109 | 0 | 0 | 0 | 107.2 | P12 P16 | P12-Y14 PolarHBondContact O-N 3.16Å; Y14-P16 VanDerWaalsContact CD1-CD 3.41Å; Y14-P16 HydrophobicContact CD1-CG 3.82Å; Y14-P16 HydrophobicContact CD2-CG 4.45Å; Y14-P16 HydrophobicContact CE1-CG 3.17Å; Y14-P16 HydrophobicContact CE2-CG 3.89Å; Y14-P16 HydrophobicContact CG-CG 4.42Å; Y14-P16 WeakPolarHBondContact OH-CG 3.23Å | ||
| 15 | S | 47.8 | Very low | 50.6 | Low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -98.4 | 119.6 | 164 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 16 | P | 55.1 | Low | 50.6 | Low | 69 Ų | 69 | 142.8 Ų | 142.8 | 45% | 0.448 | 78% | 0.776 | S | S | . | * | trans | -129.3 | 139.4 | 139.1 | 0.8 | 20.8 | 0 | 0 | 0 | 111.1 | Y14 | Y14-P16 VanDerWaalsContact CD1-CD 3.41Å; Y14-P16 HydrophobicContact CD1-CG 3.82Å; Y14-P16 HydrophobicContact CD2-CG 4.45Å; Y14-P16 HydrophobicContact CE1-CG 3.17Å; Y14-P16 HydrophobicContact CE2-CG 3.89Å; Y14-P16 HydrophobicContact CG-CG 4.42Å; Y14-P16 WeakPolarHBondContact OH-CG 3.23Å | ||
| 17 | G | 45 | Very low | 50.5 | Low | 56 Ų | 56 | 137 Ų | 137 | 58% | 0.577 | 77% | 0.766 | S | S | * | * | trans | -71.6 | -149.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 18 | H | 53.3 | Low | 50 | Low | 170 Ų | 170 | 137.5 Ų | 137.5 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | trans | 80.9 | 130.8 | -170 | -39.2 | -69.6 | 0 | 0 | 0 | 111.5 | ||||
| 19 | H | 47.9 | Very low | 50.2 | Low | 164 Ų | 164 | 135.9 Ų | 135.9 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | cis | -179.7 | 118.6 | 10.4 | 28.8 | -137.2 | 0 | 0 | 0 | 106.7 | ||||
| 20 | Y | 42 | Very low | 50.4 | Low | 237 Ų | 237 | 136.8 Ų | 136.8 | 93% | 0.929 | 76% | 0.763 | S | S | * | * | trans | -119.8 | 76.1 | 134.8 | 54.8 | -94.9 | 0 | 0 | 0 | 105.6 | ||||
| 21 | A | 51.1 | Low | 50.4 | Low | 73 Ų | 73 | 139.4 Ų | 139.4 | 60% | 0.603 | 77% | 0.768 | S | S | * | * | trans | -78.7 | 145 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 22 | L | 53.1 | Low | 50.2 | Low | 165 Ų | 165 | 137.7 Ų | 137.7 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | 76.5 | 107.1 | 164.3 | -57.7 | 148.7 | 0 | 0 | 0 | 113.5 | ||||
| 23 | N | 43.8 | Very low | 49.7 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | -136.2 | 134.6 | 61.9 | -156.6 | 12.6 | 0 | 0 | 0 | 112.9 | |||||
| 24 | A | 49.8 | Very low | 50.2 | Low | 87 Ų | 87 | 134.7 Ų | 134.7 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | -71 | 135.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 25 | G | 46.6 | Very low | 50.8 | Low | 71 Ų | 71 | 128.6 Ų | 128.6 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | trans | -161.8 | 75.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | V27 | G25-V27 PolarHBondContact O-N 3.47Š| ||
| 26 | M | 52.2 | Low | 50.9 | Low | 177 Ų | 177 | 129.4 Ų | 129.4 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | trans | -59.5 | 118.1 | -179.8 | -60.7 | 162.5 | 90.9 | 0 | 0 | 110.1 | ||||
| 27 | V | 55.3 | Low | 50.5 | Low | 118 Ų | 118 | 129.1 Ų | 129.1 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | trans | -149.8 | 109.7 | 147.7 | -97.1 | 0 | 0 | 0 | 0 | 107.3 | G25 H29 | G25-V27 PolarHBondContact O-N 3.47Å; V27-H29 PolarHBondContact O-N 3.4Å | ||
| 28 | D | 48.9 | Very low | 51.1 | Low | 152 Ų | 152 | 134.1 Ų | 134.1 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -55.4 | 111.3 | -178.6 | -57.5 | -89 | 0 | 0 | 0 | 112 | ||||
| 29 | H | 57.8 | Low | 51.7 | Low | 168 Ų | 168 | 133.6 Ų | 133.6 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | trans | -109.1 | 111.9 | 160.5 | -72.5 | -56.3 | 0 | 0 | 0 | 108.3 | V27 V31 | V27-H29 PolarHBondContact O-N 3.4Å; H29-V31 PolarHBondContact O-N 3.48Å | ||
| 30 | P | 55.5 | Low | 52.6 | Low | 104 Ų | 104 | 131.6 Ų | 131.6 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | trans | -62.1 | 125.6 | -176.3 | 25.2 | -33.3 | 0 | 0 | 0 | 109.4 | S32 | P30-S32 PolarHBondContact O-N 3.5Š| ||
| 31 | V | 50.9 | Low | 53.7 | Low | 154 Ų | 154 | 131.5 Ų | 131.5 | 93% | 0.933 | 78% | 0.779 | S | S | * | * | trans | -66.5 | 66.1 | 158.2 | 60.6 | 0 | 0 | 0 | 0 | 108.3 | H29 | H29-V31 PolarHBondContact O-N 3.48Š| ||
| 32 | S | 54.6 | Low | 54.8 | Low | 94 Ų | 94 | 137.8 Ų | 137.8 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | -99.8 | 101.4 | 175.1 | -77.9 | 0 | 0 | 0 | 0 | 108.6 | P30 | P30-S32 PolarHBondContact O-N 3.5Š| ||
| 33 | A | 47.4 | Very low | 56.1 | Low | 77 Ų | 77 | 137.5 Ų | 137.5 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | 49.5 | 91.8 | 132.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A35 | A33-A35 HydrophobicContact CB-CB 3.98Å; A33-A35 PolarHBondContact O-N 3.05Å | ||
| 34 | F | 54.1 | Low | 58 | Low | 219 Ų | 219 | 138.9 Ų | 138.9 | 96% | 0.961 | 78% | 0.78 | S | S | * | * | trans | -69.6 | 56.9 | 144.2 | 45.2 | -89.1 | 0 | 0 | 0 | 109.3 | ||||
| 35 | A | 54.5 | Low | 59.6 | Low | 73 Ų | 73 | 145.2 Ų | 145.2 | 60% | 0.603 | 79% | 0.785 | S | S | * | * | trans | -80.5 | 112.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | A33 | A33-A35 HydrophobicContact CB-CB 3.98Å; A33-A35 PolarHBondContact O-N 3.05Å | ||
| 36 | S | 49.7 | Very low | 61.7 | Low | 128 Ų | 128 | 148.5 Ų | 148.5 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | 34.3 | 100.3 | 142.9 | -57.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 37 | G | 47.1 | Very low | 63.7 | Low | 64 Ų | 64 | 149.5 Ų | 149.5 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | trans | 177.4 | 85.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L39 | G37-L39 PolarHBondContact O-N 2.9Š| ||
| 38 | N | 58.5 | Low | 65.5 | Low | 161 Ų | 161 | 145.4 Ų | 145.4 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | 59.5 | 47.2 | 148.4 | -63.9 | 11.9 | 0 | 0 | 0 | 120.4 | P40 | N38-P40 WeakPolarHBondContact O-CD 3.3Š| ||
| 39 | L | 65.6 | Low | 67.8 | Low | 158 Ų | 158 | 144 Ų | 144 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | -68.8 | 126.8 | 152.5 | -74.4 | 98.9 | 0 | 0 | 0 | 108.6 | G37 R41 | G37-L39 PolarHBondContact O-N 2.9Å; L39-R41 VanDerWaalsContact C-N 3.34Å; L39-R41 PolarHBondContact O-N 3.28Å | ||
| 40 | P | 66.4 | Low | 69.7 | Low | 123 Ų | 123 | 138.6 Ų | 138.6 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | trans | -63.2 | 98.9 | 175.3 | 25.6 | -32 | 0 | 0 | 0 | 107.9 | N38 K42 | N38-P40 WeakPolarHBondContact O-CD 3.3Å; P40-K42 PolarHBondContact O-N 2.96Å | ||
| 41 | R | 65 | Low | 71.7 | Confident | 235 Ų | 235 | 136.3 Ų | 136.3 | 89% | 0.887 | 71% | 0.709 | S | S | * | * | trans | -53.8 | 117.6 | 173.3 | -70.8 | -176 | -70.2 | 169.6 | -2.5 | 106.5 | L39 Q43 | L39-R41 VanDerWaalsContact C-N 3.34Å; L39-R41 PolarHBondContact O-N 3.28Å; R41-Q43 PolarHBondContact O-N 2.82Å | ||
| 42 | K | 73.5 | Confident | 74 | Confident | 204 Ų | 204 | 136.8 Ų | 136.8 | 89% | 0.887 | 69% | 0.694 | S | S | * | * | trans | -38 | 112.9 | 176.3 | -113.4 | 92.4 | 167.4 | -172.4 | 0 | 108.4 | P40 R44 | P40-K42 PolarHBondContact O-N 2.96Å; K42-R44 PolarHBondContact O-N 3.07Å | ||
| 43 | Q | 80.7 | Confident | 76.1 | Confident | 159 Ų | 159 | 135.3 Ų | 135.3 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | trans | -58.6 | 113 | 178.6 | -177.6 | 65.4 | 23.6 | 0 | 0 | 107.5 | R41 R45 | R41-Q43 PolarHBondContact O-N 2.82Å; Q43-R45 PolarHBondContact O-N 3.09Å | ||
| 44 | R | 84.4 | Confident | 78.5 | Confident | 190 Ų | 190 | 133.4 Ų | 133.4 | 72% | 0.717 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 129.8 | 177.8 | 179.6 | 170.8 | 174.2 | -110.4 | 6.2 | 107.8 | K42 E46 | K42-R44 PolarHBondContact O-N 3.07Å; R44-E46 PolarHBondContact O-N 3.11Å |
| 45 | R | 83.4 | Confident | 80.6 | Confident | 221 Ų | 221 | 125 Ų | 125 | 83% | 0.834 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 136.3 | 176.3 | -73.6 | 179 | -178.8 | 179.2 | -0.3 | 110.1 | Q43 | Q43-R45 PolarHBondContact O-N 3.09Š|
| 46 | E | 90.7 | Very high | 82.7 | Confident | 139 Ų | 139 | 124.9 Ų | 124.9 | 65% | 0.65 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 139.1 | 178.4 | -59.8 | -52.6 | 145.1 | 0 | 0 | 111.6 | R44 R86 | R44-E46 PolarHBondContact O-N 3.11Å; E46-R86 PolarHBondContact O-NH2 3.43Å |
| 47 | R | 92.7 | Very high | 85 | Confident | 198 Ų | 198 | 121.2 Ų | 121.2 | 75% | 0.747 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 129.6 | -179.8 | -176.2 | 178.8 | -177.1 | -176 | 2.1 | 109.4 | ||
| 48 | T | 95 | Very high | 87.5 | Confident | 33 Ų | 33 | 118.1 Ų | 118.1 | 20% | 0.202 | 56% | 0.557 | C | S | . | * | P | Polyproline II helix | trans | -77.1 | 131.1 | 172.4 | -49.9 | 0 | 0 | 0 | 0 | 110.8 | F50 L82 R86 | T48-F50 HydrophobicContact CG2-CE1 4.26Å; T48-F50 HydrophobicContact CG2-CZ 4.26Å; T48-L82 HydrophobicContact CG2-CD1 4.09Å; T48-L82 HydrophobicContact CG2-CD2 3.6Å; T48-R86 WeakPolarHBondContact OG1-CD 3.4Å; T48-R86 WeakPolarHBondContact OG1-CG 3.4Å; T48-R86 PolarHBondContact OG1-NE 2.92Å |
| 49 | T | 96.9 | Very high | 89.4 | Confident | 122 Ų | 122 | 114.7 Ų | 114.7 | 75% | 0.748 | 54% | 0.536 | S | S | * | . | trans | -106.2 | 128.1 | 166.4 | -59 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 50 | F | 97 | Very high | 91 | Very high | 55 Ų | 55 | 110.1 Ų | 110.1 | 24% | 0.241 | 52% | 0.517 | C | S | . | . | trans | -91.1 | 135.6 | -179.5 | -57.3 | -89.7 | 0 | 0 | 0 | 110.1 | T48 Q54 L55 L58 L82 W90 | T48-F50 HydrophobicContact CG2-CE1 4.26Å; T48-F50 HydrophobicContact CG2-CZ 4.26Å; F50-Q54 VanDerWaalsContact CA-OE1 3.31Å; F50-L55 HydrophobicContact CB-CD1 4.49Å; F50-L55 HydrophobicContact CB-CD2 3.72Å; F50-L55 HydrophobicContact CB-CG 3.85Å; F50-L55 HydrophobicContact CD2-CD2 4.5Å; F50-L55 HydrophobicContact CG-CD2 4.12Å; F50-L58 HydrophobicContact CD1-CD1 3.91Å; F50-L58 HydrophobicContact CE1-CD1 4.05Å; F50-L82 HydrophobicContact CD1-CD1 3.42Å; F50-L82 VanDerWaalsContact CD1-CD1 3.42Å; F50-L82 HydrophobicContact CE1-CD1 3.32Å; F50-L82 HydrophobicContact CZ-CD1 4.48Å; F50-W90 HydrophobicContact CE1-CB 4.41Å; F50-W90 AromaticContact CE1-CD1 3.98Å; F50-W90 HydrophobicContact CE1-CG 4.45Å; F50-W90 AromaticContact CE2-CD1 3.73Å; F50-W90 HydrophobicContact CZ-CB 3.99Å; F50-W90 AromaticContact CZ-CD1 3.66Å; F50-W90 HydrophobicContact CZ-CG 4.18Å | ||
| 51 | S | 98.4 | Very high | 92.5 | Very high | 56 Ų | 56 | 105.2 Ų | 105.2 | 39% | 0.392 | 48% | 0.484 | S | S | . | . | trans | -73.5 | 163.4 | 168.8 | 84.5 | 0 | 0 | 0 | 0 | 110.8 | A53 Q54 L55 | S51-A53 PolarHBondContact O-N 3.48Å; S51-Q54 PolarHBondContact O-N 3.31Å; S51-Q54 VanDerWaalsContact OG-CG 3.31Å; S51-Q54 WeakPolarHBondContact OG-CG 3.33Å; S51-Q54 PolarHBondContact OG-N 3.02Å; S51-L55 WeakPolarHBondContact O-CG 3.48Å; S51-L55 PolarHBondContact O-N 3.36Å | ||
| 52 | R | 98.3 | Very high | 94.1 | Very high | 164 Ų | 164 | 94.6 Ų | 94.6 | 62% | 0.619 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59.4 | -46.1 | 178.7 | -177.3 | 65.8 | -158.9 | -172.7 | 8.4 | 112.2 | Q54 L55 D56 | R52-Q54 VanDerWaalsContact C-N 3.29Å; R52-Q54 PolarHBondContact O-N 3.24Å; R52-L55 WeakPolarHBondContact O-CB 3.36Å; R52-L55 PolarHBondContact O-N 3.02Å; R52-L55 VanDerWaalsContact O-N 3.08Å; R52-D56 IonicContact CZ-OD1 2.83Å; R52-D56 VanDerWaalsContact CZ-OD1 3.27Å; R52-D56 IonicContact NE-OD1 3.27Å; R52-D56 PolarHBondContact NE-OD1 3.07Å; R52-D56 IonicContact NE-OD2 3.65Å; R52-D56 IonicContact NH2-OD1 3.01Å; R52-D56 PolarHBondContact NH2-OD1 3.12Å; R52-D56 PolarHBondContact O-N 3.49Å |
| 53 | A | 98.3 | Very high | 95.3 | Very high | 62 Ų | 62 | 88.1 Ų | 88.1 | 51% | 0.512 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S51 D56 I57 | S51-A53 PolarHBondContact O-N 3.48Å; A53-D56 PolarHBondContact O-N 3.27Å; A53-I57 WeakPolarHBondContact O-CG1 3.41Å; A53-I57 PolarHBondContact O-N 2.75Å |
| 54 | Q | 98.5 | Very high | 96.1 | Very high | 37 Ų | 37 | 90 Ų | 90 | 17% | 0.173 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.7 | -42 | 175 | -65.4 | 173.2 | -28.2 | 0 | 0 | 111.3 | F50 S51 R52 I57 L58 I80 | F50-Q54 VanDerWaalsContact CA-OE1 3.31Å; S51-Q54 PolarHBondContact O-N 3.31Å; S51-Q54 VanDerWaalsContact OG-CG 3.31Å; S51-Q54 WeakPolarHBondContact OG-CG 3.33Å; S51-Q54 PolarHBondContact OG-N 3.02Å; R52-Q54 VanDerWaalsContact C-N 3.29Å; R52-Q54 PolarHBondContact O-N 3.24Å; Q54-I57 PolarHBondContact O-N 3.21Å; Q54-L58 WeakPolarHBondContact O-CB 3.27Å; Q54-L58 VanDerWaalsContact O-CG 3.26Å; Q54-L58 WeakPolarHBondContact O-CG 3.46Å; Q54-L58 PolarHBondContact O-N 2.79Å; Q54-I80 HydrophobicContact CB-CB 4.4Å; Q54-I80 HydrophobicContact CG-CB 4.05Å; Q54-I80 PolarHBondContact NE2-O 2.94Å |
| 55 | L | 98.6 | Very high | 96.8 | Very high | 44 Ų | 44 | 83.2 Ų | 83.2 | 23% | 0.23 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 176.4 | -68.3 | 173.7 | 0 | 0 | 0 | 111.9 | F50 S51 R52 I57 L58 E59 | F50-L55 HydrophobicContact CB-CD1 4.49Å; F50-L55 HydrophobicContact CB-CD2 3.72Å; F50-L55 HydrophobicContact CB-CG 3.85Å; F50-L55 HydrophobicContact CD2-CD2 4.5Å; F50-L55 HydrophobicContact CG-CD2 4.12Å; S51-L55 WeakPolarHBondContact O-CG 3.48Å; S51-L55 PolarHBondContact O-N 3.36Å; R52-L55 WeakPolarHBondContact O-CB 3.36Å; R52-L55 PolarHBondContact O-N 3.02Å; R52-L55 VanDerWaalsContact O-N 3.08Å; L55-I57 VanDerWaalsContact C-N 3.31Å; L55-I57 PolarHBondContact O-N 2.75Å; L55-L58 PolarHBondContact O-N 3.15Å; L55-E59 WeakPolarHBondContact O-CB 3.41Å; L55-E59 WeakPolarHBondContact O-CG 3.38Å; L55-E59 PolarHBondContact O-N 3.07Å |
| 56 | D | 98.5 | Very high | 97.5 | Very high | 70 Ų | 70 | 77 Ų | 77 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 179.7 | -63.1 | -35 | 0 | 0 | 0 | 111.4 | R52 A53 S60 | R52-D56 IonicContact CZ-OD1 2.83Å; R52-D56 VanDerWaalsContact CZ-OD1 3.27Å; R52-D56 IonicContact NE-OD1 3.27Å; R52-D56 PolarHBondContact NE-OD1 3.07Å; R52-D56 IonicContact NE-OD2 3.65Å; R52-D56 IonicContact NH2-OD1 3.01Å; R52-D56 PolarHBondContact NH2-OD1 3.12Å; R52-D56 PolarHBondContact O-N 3.49Å; A53-D56 PolarHBondContact O-N 3.27Å; D56-S60 WeakPolarHBondContact O-CB 3.24Å; D56-S60 PolarHBondContact O-N 3.12Å |
| 57 | I | 98.4 | Very high | 97.8 | Very high | 50 Ų | 50 | 78 Ų | 78 | 26% | 0.256 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 174.2 | -65 | 166.4 | 0 | 0 | 0 | 111 | A53 Q54 L55 E59 S60 I61 L76 K79 I80 | A53-I57 WeakPolarHBondContact O-CG1 3.41Å; A53-I57 PolarHBondContact O-N 2.75Å; Q54-I57 PolarHBondContact O-N 3.21Å; L55-I57 VanDerWaalsContact C-N 3.31Å; L55-I57 PolarHBondContact O-N 2.75Å; I57-E59 VanDerWaalsContact C-N 3.33Å; I57-E59 PolarHBondContact O-N 2.93Å; I57-S60 WeakPolarHBondContact O-CB 3.19Å; I57-S60 PolarHBondContact O-N 3.39Å; I57-I61 PolarHBondContact O-N 3.22Å; I57-I61 VanDerWaalsContact O-N 3.11Å; I57-L76 HydrophobicContact CG2-CD2 3.89Å; I57-K79 HydrophobicContact CG2-CD 4.39Å; I57-I80 HydrophobicContact CB-CG2 4.17Å; I57-I80 HydrophobicContact CD1-CG2 3.97Å; I57-I80 HydrophobicContact CG2-CG2 3.95Å |
| 58 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 179.3 | -73.5 | 167.2 | 0 | 0 | 0 | 111.7 | F50 Q54 L55 I61 F62 I80 V87 W90 F91 | F50-L58 HydrophobicContact CD1-CD1 3.91Å; F50-L58 HydrophobicContact CE1-CD1 4.05Å; Q54-L58 WeakPolarHBondContact O-CB 3.27Å; Q54-L58 VanDerWaalsContact O-CG 3.26Å; Q54-L58 WeakPolarHBondContact O-CG 3.46Å; Q54-L58 PolarHBondContact O-N 2.79Å; L55-L58 PolarHBondContact O-N 3.15Å; L58-I61 PolarHBondContact O-N 3.37Å; L58-F62 WeakPolarHBondContact O-CB 3.34Å; L58-F62 PolarHBondContact O-N 3.34Å; L58-I80 HydrophobicContact CD1-CD1 4.05Å; L58-I80 HydrophobicContact CD2-CD1 3.85Å; L58-I80 HydrophobicContact CG-CD1 3.99Å; L58-V87 HydrophobicContact CD2-CG1 4.15Å; L58-W90 HydrophobicContact CB-CD2 4.09Å; L58-W90 HydrophobicContact CB-CE3 4.02Å; L58-W90 HydrophobicContact CB-CH2 3.57Å; L58-W90 HydrophobicContact CB-CZ2 3.6Å; L58-W90 HydrophobicContact CB-CZ3 3.78Å; L58-W90 HydrophobicContact CD1-CD2 3.87Å; L58-W90 HydrophobicContact CD1-CE3 4.44Å; L58-W90 HydrophobicContact CD1-CG 3.95Å; L58-W90 HydrophobicContact CD1-CZ2 4.42Å; L58-W90 HydrophobicContact CD2-CD2 4.29Å; L58-W90 HydrophobicContact CD2-CE3 4.08Å; L58-W90 HydrophobicContact CD2-CZ3 4.47Å; L58-W90 HydrophobicContact CG-CD2 4.32Å; L58-W90 HydrophobicContact CG-CE3 4.42Å; L58-F91 HydrophobicContact CD2-CE2 3.99Å |
| 59 | E | 98.6 | Very high | 98.3 | Very high | 88 Ų | 88 | 72.1 Ų | 72.1 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69 | -36.8 | 176.1 | -72.7 | -172.6 | -177.3 | 0 | 0 | 112.3 | L55 I57 I61 F62 G63 W90 | L55-E59 WeakPolarHBondContact O-CB 3.41Å; L55-E59 WeakPolarHBondContact O-CG 3.38Å; L55-E59 PolarHBondContact O-N 3.07Å; I57-E59 VanDerWaalsContact C-N 3.33Å; I57-E59 PolarHBondContact O-N 2.93Å; E59-I61 PolarHBondContact O-N 3.34Å; E59-F62 WeakPolarHBondContact O-CB 3.44Å; E59-F62 PolarHBondContact O-N 3.36Å; E59-G63 PolarHBondContact O-N 3.3Å; E59-W90 HydrophobicContact CG-CH2 4.13Å; E59-W90 HydrophobicContact CG-CZ2 4.07Å |
| 60 | S | 98.4 | Very high | 98.3 | Very high | 63 Ų | 63 | 69.1 Ų | 69.1 | 44% | 0.441 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 173.2 | -177 | 0 | 0 | 0 | 0 | 111.8 | D56 I57 G63 R64 | D56-S60 WeakPolarHBondContact O-CB 3.24Å; D56-S60 PolarHBondContact O-N 3.12Å; I57-S60 WeakPolarHBondContact O-CB 3.19Å; I57-S60 PolarHBondContact O-N 3.39Å; S60-G63 PolarHBondContact O-N 3.41Å; S60-R64 PolarHBondContact O-N 2.95Å |
| 61 | I | 98.4 | Very high | 98.4 | Very high | 19 Ų | 19 | 73.8 Ų | 73.8 | 10% | 0.097 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.4 | -38.8 | 175.8 | -59.4 | -54.9 | 0 | 0 | 0 | 111.7 | I57 L58 E59 G63 R64 T65 L72 L76 F91 | I57-I61 PolarHBondContact O-N 3.22Å; I57-I61 VanDerWaalsContact O-N 3.11Å; L58-I61 PolarHBondContact O-N 3.37Å; E59-I61 PolarHBondContact O-N 3.34Å; I61-G63 PolarHBondContact O-N 2.84Å; I61-R64 CarbonylContact O-C 3.46Å; I61-R64 WeakPolarHBondContact O-CA 3.44Å; I61-R64 WeakPolarHBondContact O-CB 3.46Å; I61-R64 PolarHBondContact O-N 3.48Å; I61-T65 HydrophobicContact CG2-CG2 4.19Å; I61-T65 PolarHBondContact O-N 3.5Å; I61-L72 HydrophobicContact CG2-CD2 4.02Å; I61-L76 HydrophobicContact CB-CD1 4.14Å; I61-L76 HydrophobicContact CD1-CD2 4.34Å; I61-L76 HydrophobicContact CG1-CD1 3.93Å; I61-L76 HydrophobicContact CG1-CD2 3.5Å; I61-L76 HydrophobicContact CG1-CG 4.22Å; I61-L76 HydrophobicContact CG2-CD1 4Å; I61-F91 HydrophobicContact CB-CZ 4.19Å; I61-F91 HydrophobicContact CG2-CE1 4.49Å; I61-F91 HydrophobicContact CG2-CZ 3.95Å |
| 62 | F | 98.6 | Very high | 98.4 | Very high | 13 Ų | 13 | 73.6 Ų | 73.6 | 6% | 0.057 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.1 | -38.5 | 174.8 | -170.6 | -95.5 | 0 | 0 | 0 | 111.6 | L58 E59 R64 T65 H66 W90 F91 R94 R95 A98 | L58-F62 WeakPolarHBondContact O-CB 3.34Å; L58-F62 PolarHBondContact O-N 3.34Å; E59-F62 WeakPolarHBondContact O-CB 3.44Å; E59-F62 PolarHBondContact O-N 3.36Å; F62-R64 PolarHBondContact O-N 3.04Å; F62-T65 WeakPolarHBondContact CA-O 3.21Å; F62-T65 CarbonylContact O-C 3.6Å; F62-T65 PolarHBondContact O-N 2.96Å; F62-H66 AromaticContact CD1-CD2 3.59Å; F62-H66 AromaticContact CD1-NE2 3.75Å; F62-H66 AromaticContact CD2-CD2 3.77Å; F62-H66 AromaticContact CE1-CD2 3.27Å; F62-H66 WeakPolarHBondContact CE1-CD2 3.44Å; F62-H66 AromaticContact CE1-NE2 3.24Å; F62-H66 WeakPolarHBondContact CE1-NE2 3.31Å; F62-H66 HydrophobicContact CE2-CB 4.03Å; F62-H66 AromaticContact CE2-CD2 3.46Å; F62-H66 VanDerWaalsContact CE2-CD2 3.46Å; F62-H66 WeakPolarHBondContact CE2-CD2 3.37Å; F62-H66 AromaticContact CE2-CG 3.88Å; F62-H66 AromaticContact CG-CD2 3.83Å; F62-H66 HydrophobicContact CZ-CB 4.36Å; F62-H66 AromaticContact CZ-CD2 3.19Å; F62-H66 WeakPolarHBondContact CZ-CD2 3.3Å; F62-H66 AromaticContact CZ-CG 3.75Å; F62-H66 AromaticContact CZ-NE2 3.52Å; F62-H66 PolarHBondContact O-CD2 3.46Å; F62-W90 HydrophobicContact CB-CH2 4.22Å; F62-W90 HydrophobicContact CB-CZ3 4.26Å; F62-W90 HydrophobicContact CD2-CZ3 4.37Å; F62-F91 HydrophobicContact CB-CE1 4.18Å; F62-F91 AromaticContact CD2-CD1 3.94Å; F62-F91 HydrophobicContact CD2-CD1 3.94Å; F62-F91 AromaticContact CD2-CE1 3.97Å; F62-F91 HydrophobicContact CD2-CE1 3.97Å; F62-R94 HydrophobicContact CD1-CG 4.08Å; F62-R94 HydrophobicContact CD2-CB 4.23Å; F62-R94 HydrophobicContact CD2-CG 3.5Å; F62-R94 HydrophobicContact CE1-CG 3.99Å; F62-R94 HydrophobicContact CE2-CB 4.03Å; F62-R94 HydrophobicContact CE2-CG 3.41Å; F62-R94 VanDerWaalsContact CE2-CG 3.41Å; F62-R94 HydrophobicContact CG-CG 3.85Å; F62-R94 HydrophobicContact CZ-CG 3.67Å; F62-R95 HydrophobicContact CE2-CG 3.98Å; F62-A98 HydrophobicContact CZ-CB 4.21Å |
| 63 | G | 98.4 | Very high | 98.4 | Very high | 67 Ų | 67 | 67.8 Ų | 67.8 | 69% | 0.691 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63 | -24.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E59 S60 I61 | E59-G63 PolarHBondContact O-N 3.3Å; S60-G63 PolarHBondContact O-N 3.41Å; I61-G63 PolarHBondContact O-N 2.84Å |
| 64 | R | 98.1 | Very high | 98.4 | Very high | 199 Ų | 199 | 69.2 Ų | 69.2 | 75% | 0.751 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -88.5 | -43.6 | 175.6 | -60.9 | 178.2 | -175.1 | -180 | -1 | 112.2 | S60 I61 F62 | S60-R64 PolarHBondContact O-N 2.95Å; I61-R64 CarbonylContact O-C 3.46Å; I61-R64 WeakPolarHBondContact O-CA 3.44Å; I61-R64 WeakPolarHBondContact O-CB 3.46Å; I61-R64 PolarHBondContact O-N 3.48Å; F62-R64 PolarHBondContact O-N 3.04Å |
| 65 | T | 98.3 | Very high | 98.4 | Very high | 48 Ų | 48 | 73.3 Ų | 73.3 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | trans | -151.3 | 133.1 | 177.8 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | I61 F62 Y67 P68 L72 | I61-T65 HydrophobicContact CG2-CG2 4.19Å; I61-T65 PolarHBondContact O-N 3.5Å; F62-T65 WeakPolarHBondContact CA-O 3.21Å; F62-T65 CarbonylContact O-C 3.6Å; F62-T65 PolarHBondContact O-N 2.96Å; T65-Y67 VanDerWaalsContact C-N 3.32Å; T65-Y67 PolarHBondContact OG1-N 3.31Å; T65-Y67 VanDerWaalsContact OG1-N 3.15Å; T65-Y67 PolarHBondContact OG1-O 3.35Å; T65-P68 HydrophobicContact CG2-CB 4.3Å; T65-L72 HydrophobicContact CG2-CD2 3.92Å | ||
| 66 | H | 98.2 | Very high | 98.4 | Very high | 90 Ų | 90 | 71.5 Ų | 71.5 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -79.8 | -16 | 173.1 | -61.4 | 159.6 | 0 | 0 | 0 | 113 | F62 R95 | F62-H66 AromaticContact CD1-CD2 3.59Å; F62-H66 AromaticContact CD1-NE2 3.75Å; F62-H66 AromaticContact CD2-CD2 3.77Å; F62-H66 AromaticContact CE1-CD2 3.27Å; F62-H66 WeakPolarHBondContact CE1-CD2 3.44Å; F62-H66 AromaticContact CE1-NE2 3.24Å; F62-H66 WeakPolarHBondContact CE1-NE2 3.31Å; F62-H66 HydrophobicContact CE2-CB 4.03Å; F62-H66 AromaticContact CE2-CD2 3.46Å; F62-H66 VanDerWaalsContact CE2-CD2 3.46Å; F62-H66 WeakPolarHBondContact CE2-CD2 3.37Å; F62-H66 AromaticContact CE2-CG 3.88Å; F62-H66 AromaticContact CG-CD2 3.83Å; F62-H66 HydrophobicContact CZ-CB 4.36Å; F62-H66 AromaticContact CZ-CD2 3.19Å; F62-H66 WeakPolarHBondContact CZ-CD2 3.3Å; F62-H66 AromaticContact CZ-CG 3.75Å; F62-H66 AromaticContact CZ-NE2 3.52Å; F62-H66 PolarHBondContact O-CD2 3.46Å; H66-R95 HydrophobicContact CB-CG 4.28Å; H66-R95 WeakPolarHBondContact O-CD 3.37Å; H66-R95 PolarHBondContact O-NH1 3.27Å |
| 67 | Y | 98.6 | Very high | 98.4 | Very high | 159 Ų | 159 | 68.6 Ų | 68.6 | 62% | 0.624 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -128.3 | 73.7 | -175.5 | -62.2 | -84.5 | 0 | 0 | 0 | 109.6 | T65 | T65-Y67 VanDerWaalsContact C-N 3.32Å; T65-Y67 PolarHBondContact OG1-N 3.31Å; T65-Y67 VanDerWaalsContact OG1-N 3.15Å; T65-Y67 PolarHBondContact OG1-O 3.35Å |
| 68 | P | 98 | Very high | 98.4 | Very high | 7 Ų | 7 | 73.3 Ų | 73.3 | 5% | 0.045 | 37% | 0.365 | C | S | . | . | trans | -66.4 | 137.6 | 177.1 | 29 | -36.3 | 0 | 0 | 0 | 110.6 | T65 L72 R73 F91 | T65-P68 HydrophobicContact CG2-CB 4.3Å; P68-L72 HydrophobicContact CB-CB 4.27Å; P68-L72 HydrophobicContact CB-CD2 3.72Å; P68-L72 HydrophobicContact CB-CG 4Å; P68-R73 HydrophobicContact CB-CG 3.9Å; P68-R73 HydrophobicContact CG-CG 3.72Å; P68-R73 PolarHBondContact O-NH1 3.23Å; P68-F91 HydrophobicContact CG-CD1 3.71Å; P68-F91 HydrophobicContact CG-CD2 3.86Å; P68-F91 HydrophobicContact CG-CE1 3.7Å; P68-F91 HydrophobicContact CG-CE2 3.87Å; P68-F91 HydrophobicContact CG-CG 3.8Å; P68-F91 HydrophobicContact CG-CZ 3.8Å | ||
| 69 | D | 98.5 | Very high | 98.4 | Very high | 101 Ų | 101 | 80.2 Ų | 80.2 | 54% | 0.54 | 40% | 0.395 | S | S | . | . | trans | -70.1 | 167.8 | 174.7 | -169.9 | 23.2 | 0 | 0 | 0 | 112 | F71 L72 R73 | D69-F71 VanDerWaalsContact C-N 3.34Å; D69-F71 PolarHBondContact O-N 2.95Å; D69-L72 PolarHBondContact O-N 2.98Å; D69-R73 WeakPolarHBondContact O-CG 3.38Å; D69-R73 PolarHBondContact O-N 3.39Å | ||
| 70 | I | 98.4 | Very high | 98.4 | Very high | 59 Ų | 59 | 76.5 Ų | 76.5 | 30% | 0.303 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -52.2 | -49.4 | -178.6 | -174.4 | 60.5 | 0 | 0 | 0 | 112 | L72 R73 E74 E84 | I70-L72 PolarHBondContact O-N 3.18Å; I70-R73 PolarHBondContact O-N 2.99Å; I70-R73 VanDerWaalsContact O-N 3.12Å; I70-E74 HydrophobicContact CD1-CG 4.35Å; I70-E74 WeakPolarHBondContact O-CG 3.38Å; I70-E74 PolarHBondContact O-N 3.37Å; I70-E84 HydrophobicContact CD1-CG 4.39Å |
| 71 | F | 98.3 | Very high | 98.3 | Very high | 153 Ų | 153 | 76.7 Ų | 76.7 | 67% | 0.671 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | -179.2 | -61.8 | -67.2 | 0 | 0 | 0 | 112.4 | D69 R73 E74 E75 | D69-F71 VanDerWaalsContact C-N 3.34Å; D69-F71 PolarHBondContact O-N 2.95Å; F71-R73 VanDerWaalsContact C-N 3.32Å; F71-R73 PolarHBondContact O-N 3.01Å; F71-E74 PolarHBondContact O-N 3.47Å; F71-E75 PolarHBondContact O-N 3.38Å |
| 72 | L | 98.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 77 Ų | 77 | 27% | 0.272 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.1 | -35.3 | 177.5 | -179.2 | 58 | 0 | 0 | 0 | 111.5 | I61 T65 P68 D69 I70 L76 | I61-L72 HydrophobicContact CG2-CD2 4.02Å; T65-L72 HydrophobicContact CG2-CD2 3.92Å; P68-L72 HydrophobicContact CB-CB 4.27Å; P68-L72 HydrophobicContact CB-CD2 3.72Å; P68-L72 HydrophobicContact CB-CG 4Å; D69-L72 PolarHBondContact O-N 2.98Å; I70-L72 PolarHBondContact O-N 3.18Å; L72-L76 HydrophobicContact CG-CD1 4.47Å; L72-L76 WeakPolarHBondContact O-CB 3.23Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 3.38Å |
| 73 | R | 98.7 | Very high | 98.2 | Very high | 43 Ų | 43 | 80 Ų | 80 | 16% | 0.162 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.2 | -39.6 | 175.3 | -68.2 | -165.4 | -52.4 | -87.3 | 1.4 | 111.8 | P68 D69 I70 F71 L76 A77 E84 V87 | P68-R73 HydrophobicContact CB-CG 3.9Å; P68-R73 HydrophobicContact CG-CG 3.72Å; P68-R73 PolarHBondContact O-NH1 3.23Å; D69-R73 WeakPolarHBondContact O-CG 3.38Å; D69-R73 PolarHBondContact O-N 3.39Å; I70-R73 PolarHBondContact O-N 2.99Å; I70-R73 VanDerWaalsContact O-N 3.12Å; F71-R73 VanDerWaalsContact C-N 3.32Å; F71-R73 PolarHBondContact O-N 3.01Å; R73-L76 PolarHBondContact O-N 2.8Å; R73-A77 VanDerWaalsContact O-CB 3.23Å; R73-A77 WeakPolarHBondContact O-CB 3.44Å; R73-A77 PolarHBondContact O-N 3.48Å; R73-E84 HydrophobicContact CB-CG 4.09Å; R73-E84 IonicContact CZ-OE1 3.4Å; R73-E84 IonicContact NE-OE1 2.75Å; R73-E84 PolarHBondContact NE-OE1 3.4Å; R73-E84 IonicContact NH2-OE1 3.12Å; R73-E84 PolarHBondContact NH2-OE1 3.03Å; R73-E84 VanDerWaalsContact NH2-OE1 3.12Å; R73-V87 HydrophobicContact CB-CG1 4.37Å; R73-V87 HydrophobicContact CG-CG1 4.34Å |
| 74 | E | 98.7 | Very high | 98.2 | Very high | 91 Ų | 91 | 79 Ų | 79 | 43% | 0.425 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 176.1 | -71.2 | 177.3 | 161.9 | 0 | 0 | 111.8 | I70 F71 L76 A77 L78 E84 | I70-E74 HydrophobicContact CD1-CG 4.35Å; I70-E74 WeakPolarHBondContact O-CG 3.38Å; I70-E74 PolarHBondContact O-N 3.37Å; F71-E74 PolarHBondContact O-N 3.47Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 2.95Å; E74-A77 WeakPolarHBondContact O-CB 3.5Å; E74-A77 PolarHBondContact O-N 2.91Å; E74-L78 WeakPolarHBondContact O-CG 3.45Å; E74-L78 PolarHBondContact O-N 3.32Å; E74-E84 HydrophobicContact CG-CG 4.24Å |
| 75 | E | 98.5 | Very high | 98.2 | Very high | 123 Ų | 123 | 72.2 Ų | 72.2 | 58% | 0.575 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -58.1 | -45.1 | 174.2 | -171.9 | -169.2 | 167.1 | 0 | 0 | 111.3 | F71 L78 K79 | F71-E75 PolarHBondContact O-N 3.38Å; E75-L78 PolarHBondContact O-N 2.89Å; E75-K79 WeakPolarHBondContact O-CB 3.44Å; E75-K79 PolarHBondContact O-N 3.45Å |
| 76 | L | 98.3 | Very high | 98.2 | Very high | 7 Ų | 7 | 73.2 Ų | 73.2 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 176.6 | -75.7 | 171.9 | 0 | 0 | 0 | 112.7 | I57 I61 L72 R73 E74 L78 K79 I80 V87 F91 | I57-L76 HydrophobicContact CG2-CD2 3.89Å; I61-L76 HydrophobicContact CB-CD1 4.14Å; I61-L76 HydrophobicContact CD1-CD2 4.34Å; I61-L76 HydrophobicContact CG1-CD1 3.93Å; I61-L76 HydrophobicContact CG1-CD2 3.5Å; I61-L76 HydrophobicContact CG1-CG 4.22Å; I61-L76 HydrophobicContact CG2-CD1 4Å; L72-L76 HydrophobicContact CG-CD1 4.47Å; L72-L76 WeakPolarHBondContact O-CB 3.23Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 3.38Å; R73-L76 PolarHBondContact O-N 2.8Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 2.95Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 2.95Å; L76-K79 PolarHBondContact O-N 3.09Å; L76-K79 VanDerWaalsContact O-N 3.15Å; L76-I80 VanDerWaalsContact O-CG1 3.3Å; L76-I80 WeakPolarHBondContact O-CG1 3.25Å; L76-I80 PolarHBondContact O-N 2.84Å; L76-V87 HydrophobicContact CB-CG1 4.37Å; L76-V87 HydrophobicContact CD1-CG1 4.34Å; L76-F91 HydrophobicContact CD1-CE2 4.02Å; L76-F91 HydrophobicContact CD1-CZ 4.23Å |
| 77 | A | 98.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 69 Ų | 69 | 7% | 0.066 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.6 | -46.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | R73 E74 G81 L82 E84 V87 | R73-A77 VanDerWaalsContact O-CB 3.23Å; R73-A77 WeakPolarHBondContact O-CB 3.44Å; R73-A77 PolarHBondContact O-N 3.48Å; E74-A77 WeakPolarHBondContact O-CB 3.5Å; E74-A77 PolarHBondContact O-N 2.91Å; A77-G81 PolarHBondContact O-N 3.07Å; A77-L82 CarbonylContact C-O 3.55Å; A77-L82 WeakPolarHBondContact CA-O 3.35Å; A77-L82 VanDerWaalsContact CB-O 3.23Å; A77-L82 WeakPolarHBondContact CB-O 3.19Å; A77-L82 PolarHBondContact O-N 2.91Å; A77-L82 VanDerWaalsContact O-O 3.12Å; A77-E84 HydrophobicContact CB-CB 4.36Å; A77-V87 HydrophobicContact CB-CG2 4.04Å |
| 78 | L | 98.4 | Very high | 98.2 | Very high | 150 Ų | 150 | 66 Ų | 66 | 79% | 0.785 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.3 | -47.4 | 173.7 | -66.4 | 173.9 | 0 | 0 | 0 | 111.5 | E74 E75 L76 I80 G81 | E74-L78 WeakPolarHBondContact O-CG 3.45Å; E74-L78 PolarHBondContact O-N 3.32Å; E75-L78 PolarHBondContact O-N 2.89Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 2.95Å; L78-I80 VanDerWaalsContact C-N 3.33Å; L78-I80 PolarHBondContact O-N 3.46Å; L78-G81 PolarHBondContact O-N 3.24Å |
| 79 | K | 98 | Very high | 98.2 | Very high | 144 Ų | 144 | 68.5 Ų | 68.5 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.6 | -36.5 | -177.6 | -174.2 | 169.7 | -175.1 | 167.6 | 0 | 113.8 | I57 E75 L76 | I57-K79 HydrophobicContact CG2-CD 4.39Å; E75-K79 WeakPolarHBondContact O-CB 3.44Å; E75-K79 PolarHBondContact O-N 3.45Å; L76-K79 PolarHBondContact O-N 3.09Å; L76-K79 VanDerWaalsContact O-N 3.15Å |
| 80 | I | 97.9 | Very high | 98.2 | Very high | 11 Ų | 11 | 64.9 Ų | 64.9 | 6% | 0.056 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -101.1 | -0.4 | -177 | 74.2 | -174.1 | 0 | 0 | 0 | 113.6 | Q54 I57 L58 L76 L78 L82 V87 | Q54-I80 HydrophobicContact CB-CB 4.4Å; Q54-I80 HydrophobicContact CG-CB 4.05Å; Q54-I80 PolarHBondContact NE2-O 2.94Å; I57-I80 HydrophobicContact CB-CG2 4.17Å; I57-I80 HydrophobicContact CD1-CG2 3.97Å; I57-I80 HydrophobicContact CG2-CG2 3.95Å; L58-I80 HydrophobicContact CD1-CD1 4.05Å; L58-I80 HydrophobicContact CD2-CD1 3.85Å; L58-I80 HydrophobicContact CG-CD1 3.99Å; L76-I80 VanDerWaalsContact O-CG1 3.3Å; L76-I80 WeakPolarHBondContact O-CG1 3.25Å; L76-I80 PolarHBondContact O-N 2.84Å; L78-I80 VanDerWaalsContact C-N 3.33Å; L78-I80 PolarHBondContact O-N 3.46Å; I80-L82 HydrophobicContact CD1-CB 4.32Å; I80-L82 HydrophobicContact CD1-CD1 3.78Å; I80-L82 HydrophobicContact CD1-CG 4.28Å; I80-L82 HydrophobicContact CG1-CB 3.96Å; I80-L82 HydrophobicContact CG1-CD1 3.98Å; I80-L82 HydrophobicContact CG1-CG 3.93Å; I80-V87 HydrophobicContact CD1-CG2 3.96Å |
| 81 | G | 98 | Very high | 98.3 | Very high | 66 Ų | 66 | 62.1 Ų | 62.1 | 68% | 0.68 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 37.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A77 L78 | A77-G81 PolarHBondContact O-N 3.07Å; L78-G81 PolarHBondContact O-N 3.24Å |
| 82 | L | 97.2 | Very high | 98.3 | Very high | 26 Ų | 26 | 60.7 Ų | 60.7 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -125.5 | 154.2 | 179.1 | -66 | -179.8 | 0 | 0 | 0 | 110.9 | T48 F50 A77 I80 R86 | T48-L82 HydrophobicContact CG2-CD1 4.09Å; T48-L82 HydrophobicContact CG2-CD2 3.6Å; F50-L82 HydrophobicContact CD1-CD1 3.42Å; F50-L82 VanDerWaalsContact CD1-CD1 3.42Å; F50-L82 HydrophobicContact CE1-CD1 3.32Å; F50-L82 HydrophobicContact CZ-CD1 4.48Å; A77-L82 CarbonylContact C-O 3.55Å; A77-L82 WeakPolarHBondContact CA-O 3.35Å; A77-L82 VanDerWaalsContact CB-O 3.23Å; A77-L82 WeakPolarHBondContact CB-O 3.19Å; A77-L82 PolarHBondContact O-N 2.91Å; A77-L82 VanDerWaalsContact O-O 3.12Å; I80-L82 HydrophobicContact CD1-CB 4.32Å; I80-L82 HydrophobicContact CD1-CD1 3.78Å; I80-L82 HydrophobicContact CD1-CG 4.28Å; I80-L82 HydrophobicContact CG1-CB 3.96Å; I80-L82 HydrophobicContact CG1-CD1 3.98Å; I80-L82 HydrophobicContact CG1-CG 3.93Å; L82-R86 HydrophobicContact CB-CB 4.44Å |
| 83 | P | 97.8 | Very high | 98.3 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 49% | 0.494 | 33% | 0.328 | S | S | . | . | trans | -61.7 | 144.6 | 170.4 | -20.9 | 31.8 | 0 | 0 | 0 | 111.7 | S85 R86 V87 | P83-S85 PolarHBondContact O-N 3.47Å; P83-S85 VanDerWaalsContact O-N 3.09Å; P83-R86 HydrophobicContact CB-CG 4.23Å; P83-R86 HydrophobicContact CG-CG 4.16Å; P83-R86 WeakPolarHBondContact O-CB 3.41Å; P83-R86 PolarHBondContact O-N 2.89Å; P83-V87 PolarHBondContact O-N 3.26Å | ||
| 84 | E | 98.4 | Very high | 98.3 | Very high | 45 Ų | 45 | 63.6 Ų | 63.6 | 21% | 0.21 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -46.7 | -43.8 | 174.2 | -177 | -78.3 | 171 | 0 | 0 | 111.2 | I70 R73 E74 A77 R86 V87 Q88 | I70-E84 HydrophobicContact CD1-CG 4.39Å; R73-E84 HydrophobicContact CB-CG 4.09Å; R73-E84 IonicContact CZ-OE1 3.4Å; R73-E84 IonicContact NE-OE1 2.75Å; R73-E84 PolarHBondContact NE-OE1 3.4Å; R73-E84 IonicContact NH2-OE1 3.12Å; R73-E84 PolarHBondContact NH2-OE1 3.03Å; R73-E84 VanDerWaalsContact NH2-OE1 3.12Å; E74-E84 HydrophobicContact CG-CG 4.24Å; A77-E84 HydrophobicContact CB-CB 4.36Å; E84-R86 PolarHBondContact O-N 3.47Å; E84-R86 VanDerWaalsContact O-N 3.07Å; E84-V87 CarbonylContact O-C 3.43Å; E84-V87 WeakPolarHBondContact O-CA 3.37Å; E84-V87 VanDerWaalsContact O-CB 3.31Å; E84-V87 WeakPolarHBondContact O-CB 3.29Å; E84-V87 PolarHBondContact O-N 3.11Å; E84-Q88 PolarHBondContact O-N 3.38Å |
| 85 | S | 97.7 | Very high | 98.3 | Very high | 57 Ų | 57 | 61.8 Ų | 61.8 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.7 | -30.1 | -177.6 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | P83 V89 | P83-S85 PolarHBondContact O-N 3.47Å; P83-S85 VanDerWaalsContact O-N 3.09Å; S85-V89 WeakPolarHBondContact O-CB 3.36Å; S85-V89 WeakPolarHBondContact O-CG2 3.44Å; S85-V89 PolarHBondContact O-N 3.06Å |
| 86 | R | 98 | Very high | 98.2 | Very high | 70 Ų | 70 | 57.2 Ų | 57.2 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -75.4 | -37.1 | 176.3 | -59.1 | -56.7 | 173.2 | 155.3 | 2 | 111.7 | E46 T48 L82 P83 E84 W90 | E46-R86 PolarHBondContact O-NH2 3.43Å; T48-R86 WeakPolarHBondContact OG1-CD 3.4Å; T48-R86 WeakPolarHBondContact OG1-CG 3.4Å; T48-R86 PolarHBondContact OG1-NE 2.92Å; L82-R86 HydrophobicContact CB-CB 4.44Å; P83-R86 HydrophobicContact CB-CG 4.23Å; P83-R86 HydrophobicContact CG-CG 4.16Å; P83-R86 WeakPolarHBondContact O-CB 3.41Å; P83-R86 PolarHBondContact O-N 2.89Å; E84-R86 PolarHBondContact O-N 3.47Å; E84-R86 VanDerWaalsContact O-N 3.07Å; R86-W90 VanDerWaalsContact O-CB 3.29Å; R86-W90 WeakPolarHBondContact O-CB 3.23Å; R86-W90 PolarHBondContact O-N 2.89Å |
| 87 | V | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -49.3 | 170.1 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | L58 R73 L76 A77 I80 P83 E84 V89 W90 F91 | L58-V87 HydrophobicContact CD2-CG1 4.15Å; R73-V87 HydrophobicContact CB-CG1 4.37Å; R73-V87 HydrophobicContact CG-CG1 4.34Å; L76-V87 HydrophobicContact CB-CG1 4.37Å; L76-V87 HydrophobicContact CD1-CG1 4.34Å; A77-V87 HydrophobicContact CB-CG2 4.04Å; I80-V87 HydrophobicContact CD1-CG2 3.96Å; P83-V87 PolarHBondContact O-N 3.26Å; E84-V87 CarbonylContact O-C 3.43Å; E84-V87 WeakPolarHBondContact O-CA 3.37Å; E84-V87 VanDerWaalsContact O-CB 3.31Å; E84-V87 WeakPolarHBondContact O-CB 3.29Å; E84-V87 PolarHBondContact O-N 3.11Å; V87-V89 PolarHBondContact O-N 3.49Å; V87-W90 WeakPolarHBondContact O-CB 3.3Å; V87-W90 PolarHBondContact O-N 3.22Å; V87-W90 VanDerWaalsContact O-N 3.14Å; V87-F91 HydrophobicContact CG1-CD2 3.71Å; V87-F91 HydrophobicContact CG1-CE2 3.7Å; V87-F91 WeakPolarHBondContact O-CD2 3.48Å; V87-F91 PolarHBondContact O-N 3.14Å |
| 88 | Q | 98.4 | Very high | 98.2 | Very high | 97 Ų | 97 | 63.4 Ų | 63.4 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.9 | -49.2 | 177.4 | 180 | 172.9 | -74.9 | 0 | 0 | 112.2 | E84 W90 F91 K92 | E84-Q88 PolarHBondContact O-N 3.38Å; Q88-W90 VanDerWaalsContact C-N 3.33Å; Q88-W90 PolarHBondContact O-N 3.31Å; Q88-F91 PolarHBondContact O-N 2.94Å; Q88-K92 PolarHBondContact O-N 2.92Å |
| 89 | V | 98.3 | Very high | 98.1 | Very high | 60 Ų | 60 | 62.7 Ų | 62.7 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64 | -39.3 | 178 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | S85 V87 K92 N93 | S85-V89 WeakPolarHBondContact O-CB 3.36Å; S85-V89 WeakPolarHBondContact O-CG2 3.44Å; S85-V89 PolarHBondContact O-N 3.06Å; V87-V89 PolarHBondContact O-N 3.49Å; V89-K92 PolarHBondContact O-N 3.41Å; V89-N93 VanDerWaalsContact O-CG 3.31Å; V89-N93 PolarHBondContact O-N 3.03Å |
| 90 | W | 98.6 | Very high | 98 | Very high | 24 Ų | 24 | 61.3 Ų | 61.3 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.4 | -49.9 | 175.9 | -175.5 | 98.7 | 0 | 0 | 0 | 111.4 | F50 L58 E59 F62 R86 V87 Q88 K92 N93 R94 | F50-W90 HydrophobicContact CE1-CB 4.41Å; F50-W90 AromaticContact CE1-CD1 3.98Å; F50-W90 HydrophobicContact CE1-CG 4.45Å; F50-W90 AromaticContact CE2-CD1 3.73Å; F50-W90 HydrophobicContact CZ-CB 3.99Å; F50-W90 AromaticContact CZ-CD1 3.66Å; F50-W90 HydrophobicContact CZ-CG 4.18Å; L58-W90 HydrophobicContact CB-CD2 4.09Å; L58-W90 HydrophobicContact CB-CE3 4.02Å; L58-W90 HydrophobicContact CB-CH2 3.57Å; L58-W90 HydrophobicContact CB-CZ2 3.6Å; L58-W90 HydrophobicContact CB-CZ3 3.78Å; L58-W90 HydrophobicContact CD1-CD2 3.87Å; L58-W90 HydrophobicContact CD1-CE3 4.44Å; L58-W90 HydrophobicContact CD1-CG 3.95Å; L58-W90 HydrophobicContact CD1-CZ2 4.42Å; L58-W90 HydrophobicContact CD2-CD2 4.29Å; L58-W90 HydrophobicContact CD2-CE3 4.08Å; L58-W90 HydrophobicContact CD2-CZ3 4.47Å; L58-W90 HydrophobicContact CG-CD2 4.32Å; L58-W90 HydrophobicContact CG-CE3 4.42Å; E59-W90 HydrophobicContact CG-CH2 4.13Å; E59-W90 HydrophobicContact CG-CZ2 4.07Å; F62-W90 HydrophobicContact CB-CH2 4.22Å; F62-W90 HydrophobicContact CB-CZ3 4.26Å; F62-W90 HydrophobicContact CD2-CZ3 4.37Å; R86-W90 VanDerWaalsContact O-CB 3.29Å; R86-W90 WeakPolarHBondContact O-CB 3.23Å; R86-W90 PolarHBondContact O-N 2.89Å; V87-W90 WeakPolarHBondContact O-CB 3.3Å; V87-W90 PolarHBondContact O-N 3.22Å; V87-W90 VanDerWaalsContact O-N 3.14Å; Q88-W90 VanDerWaalsContact C-N 3.33Å; Q88-W90 PolarHBondContact O-N 3.31Å; W90-K92 VanDerWaalsContact C-N 3.32Å; W90-K92 PolarHBondContact O-N 2.87Å; W90-N93 PolarHBondContact O-N 3.02Å; W90-R94 HydrophobicContact CD2-CB 4.47Å; W90-R94 HydrophobicContact CE3-CB 4.16Å; W90-R94 HydrophobicContact CH2-CB 4.09Å; W90-R94 HydrophobicContact CH2-CG 3.79Å; W90-R94 HydrophobicContact CZ2-CB 4.42Å; W90-R94 HydrophobicContact CZ2-CG 4.3Å; W90-R94 HydrophobicContact CZ3-CB 3.96Å; W90-R94 HydrophobicContact CZ3-CG 4.01Å; W90-R94 WeakPolarHBondContact O-CB 3.26Å; W90-R94 PolarHBondContact O-N 3.4Å |
| 91 | F | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 178.4 | -88.7 | -87.3 | 0 | 0 | 0 | 111.9 | L58 I61 F62 P68 L76 V87 Q88 R94 R95 | L58-F91 HydrophobicContact CD2-CE2 3.99Å; I61-F91 HydrophobicContact CB-CZ 4.19Å; I61-F91 HydrophobicContact CG2-CE1 4.49Å; I61-F91 HydrophobicContact CG2-CZ 3.95Å; F62-F91 HydrophobicContact CB-CE1 4.18Å; F62-F91 AromaticContact CD2-CD1 3.94Å; F62-F91 HydrophobicContact CD2-CD1 3.94Å; F62-F91 AromaticContact CD2-CE1 3.97Å; F62-F91 HydrophobicContact CD2-CE1 3.97Å; P68-F91 HydrophobicContact CG-CD1 3.71Å; P68-F91 HydrophobicContact CG-CD2 3.86Å; P68-F91 HydrophobicContact CG-CE1 3.7Å; P68-F91 HydrophobicContact CG-CE2 3.87Å; P68-F91 HydrophobicContact CG-CG 3.8Å; P68-F91 HydrophobicContact CG-CZ 3.8Å; L76-F91 HydrophobicContact CD1-CE2 4.02Å; L76-F91 HydrophobicContact CD1-CZ 4.23Å; V87-F91 HydrophobicContact CG1-CD2 3.71Å; V87-F91 HydrophobicContact CG1-CE2 3.7Å; V87-F91 WeakPolarHBondContact O-CD2 3.48Å; V87-F91 PolarHBondContact O-N 3.14Å; Q88-F91 PolarHBondContact O-N 2.94Å; F91-R94 PolarHBondContact O-N 3.22Å; F91-R95 WeakPolarHBondContact O-CB 3.43Å; F91-R95 WeakPolarHBondContact O-CG 3.33Å; F91-R95 PolarHBondContact O-N 2.95Å |
| 92 | K | 98.5 | Very high | 97.6 | Very high | 124 Ų | 124 | 63.8 Ų | 63.8 | 54% | 0.539 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.7 | -49.1 | 174 | -173.2 | 177 | 69.4 | 176.2 | 0 | 111.6 | Q88 V89 W90 R95 A96 | Q88-K92 PolarHBondContact O-N 2.92Å; V89-K92 PolarHBondContact O-N 3.41Å; W90-K92 VanDerWaalsContact C-N 3.32Å; W90-K92 PolarHBondContact O-N 2.87Å; K92-R95 PolarHBondContact O-N 3.15Å; K92-A96 PolarHBondContact O-N 2.91Å |
| 93 | N | 98.5 | Very high | 97.3 | Very high | 96 Ų | 96 | 69.3 Ų | 69.3 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 179.5 | -69.8 | -11.5 | 0 | 0 | 0 | 111.8 | V89 W90 A96 K97 | V89-N93 VanDerWaalsContact O-CG 3.31Å; V89-N93 PolarHBondContact O-N 3.03Å; W90-N93 PolarHBondContact O-N 3.02Å; N93-A96 WeakPolarHBondContact O-CB 3.4Å; N93-A96 PolarHBondContact O-N 3.45Å; N93-K97 PolarHBondContact O-N 3.02Å |
| 94 | R | 98.6 | Very high | 96.7 | Very high | 60 Ų | 60 | 73.1 Ų | 73.1 | 23% | 0.226 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 177.9 | -176.5 | 65.2 | -168.9 | 89.5 | -4.3 | 111.9 | F62 W90 F91 K97 A98 | F62-R94 HydrophobicContact CD1-CG 4.08Å; F62-R94 HydrophobicContact CD2-CB 4.23Å; F62-R94 HydrophobicContact CD2-CG 3.5Å; F62-R94 HydrophobicContact CE1-CG 3.99Å; F62-R94 HydrophobicContact CE2-CB 4.03Å; F62-R94 HydrophobicContact CE2-CG 3.41Å; F62-R94 VanDerWaalsContact CE2-CG 3.41Å; F62-R94 HydrophobicContact CG-CG 3.85Å; F62-R94 HydrophobicContact CZ-CG 3.67Å; W90-R94 HydrophobicContact CD2-CB 4.47Å; W90-R94 HydrophobicContact CE3-CB 4.16Å; W90-R94 HydrophobicContact CH2-CB 4.09Å; W90-R94 HydrophobicContact CH2-CG 3.79Å; W90-R94 HydrophobicContact CZ2-CB 4.42Å; W90-R94 HydrophobicContact CZ2-CG 4.3Å; W90-R94 HydrophobicContact CZ3-CB 3.96Å; W90-R94 HydrophobicContact CZ3-CG 4.01Å; W90-R94 WeakPolarHBondContact O-CB 3.26Å; W90-R94 PolarHBondContact O-N 3.4Å; F91-R94 PolarHBondContact O-N 3.22Å; R94-K97 PolarHBondContact O-N 3.03Å; R94-A98 PolarHBondContact O-N 3.4Å |
| 95 | R | 98.5 | Very high | 95.8 | Very high | 53 Ų | 53 | 79.3 Ų | 79.3 | 20% | 0.2 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 172 | -73 | -165.1 | -61.2 | -92 | 5.8 | 112.2 | F62 H66 F91 K92 K97 A98 R99 | F62-R95 HydrophobicContact CE2-CG 3.98Å; H66-R95 HydrophobicContact CB-CG 4.28Å; H66-R95 WeakPolarHBondContact O-CD 3.37Å; H66-R95 PolarHBondContact O-NH1 3.27Å; F91-R95 WeakPolarHBondContact O-CB 3.43Å; F91-R95 WeakPolarHBondContact O-CG 3.33Å; F91-R95 PolarHBondContact O-N 2.95Å; K92-R95 PolarHBondContact O-N 3.15Å; R95-K97 PolarHBondContact O-N 3.46Å; R95-A98 PolarHBondContact O-N 3.45Å; R95-R99 PolarHBondContact O-N 3Å |
| 96 | A | 98.5 | Very high | 94.6 | Very high | 26 Ų | 26 | 83.2 Ų | 83.2 | 22% | 0.215 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K92 N93 A98 R99 Q100 | K92-A96 PolarHBondContact O-N 2.91Å; N93-A96 WeakPolarHBondContact O-CB 3.4Å; N93-A96 PolarHBondContact O-N 3.45Å; A96-A98 PolarHBondContact O-N 2.81Å; A96-R99 PolarHBondContact O-N 3.22Å; A96-Q100 WeakPolarHBondContact O-CG 3.48Å; A96-Q100 PolarHBondContact O-N 2.97Å |
| 97 | K | 98 | Very high | 93 | Very high | 116 Ų | 116 | 81.6 Ų | 81.6 | 50% | 0.504 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 175.3 | -170.5 | 177.1 | -178.3 | -178 | 0 | 112.3 | N93 R94 R95 R99 Q100 Q101 | N93-K97 PolarHBondContact O-N 3.02Å; R94-K97 PolarHBondContact O-N 3.03Å; R95-K97 PolarHBondContact O-N 3.46Å; K97-R99 PolarHBondContact O-N 3.21Å; K97-Q100 PolarHBondContact O-N 2.95Å; K97-Q101 VanDerWaalsContact O-CG 3.3Å; K97-Q101 WeakPolarHBondContact O-CG 3.41Å; K97-Q101 PolarHBondContact O-N 3.36Å |
| 98 | A | 97.3 | Very high | 91.1 | Very high | 29 Ų | 29 | 87.5 Ų | 87.5 | 24% | 0.24 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F62 R94 R95 A96 Q101 A102 | F62-A98 HydrophobicContact CZ-CB 4.21Å; R94-A98 PolarHBondContact O-N 3.4Å; R95-A98 PolarHBondContact O-N 3.45Å; A96-A98 PolarHBondContact O-N 2.81Å; A98-Q101 PolarHBondContact O-N 3.41Å; A98-A102 PolarHBondContact O-N 2.93Å |
| 99 | R | 97.1 | Very high | 89.1 | Confident | 135 Ų | 135 | 92.5 Ų | 92.5 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.2 | -67.8 | -167.7 | -55.3 | -89.8 | 1.6 | 112.5 | R95 A96 K97 Q101 A102 Q103 | R95-R99 PolarHBondContact O-N 3Å; A96-R99 PolarHBondContact O-N 3.22Å; K97-R99 PolarHBondContact O-N 3.21Å; R99-Q101 VanDerWaalsContact C-N 3.32Å; R99-Q101 PolarHBondContact O-N 2.77Å; R99-A102 PolarHBondContact O-N 3.04Å; R99-Q103 WeakPolarHBondContact O-CG 3.44Å; R99-Q103 PolarHBondContact O-N 3.37Å; R99-Q103 VanDerWaalsContact O-N 3.11Å |
| 100 | Q | 95.6 | Very high | 86.9 | Confident | 115 Ų | 115 | 98.6 Ų | 98.6 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 175.5 | -70.6 | 168.2 | 3.9 | 0 | 0 | 111.7 | A96 K97 Q103 Q104 | A96-Q100 WeakPolarHBondContact O-CG 3.48Å; A96-Q100 PolarHBondContact O-N 2.97Å; K97-Q100 PolarHBondContact O-N 2.95Å; Q100-Q103 PolarHBondContact O-N 2.82Å; Q100-Q104 WeakPolarHBondContact O-CG 3.42Å; Q100-Q104 PolarHBondContact O-N 3.43Å |
| 101 | Q | 94.1 | Very high | 84.5 | Confident | 81 Ų | 81 | 100.8 Ų | 100.8 | 38% | 0.379 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -33.2 | 177.4 | -73 | 173.6 | -12.3 | 0 | 0 | 112.9 | K97 A98 R99 | K97-Q101 VanDerWaalsContact O-CG 3.3Å; K97-Q101 WeakPolarHBondContact O-CG 3.41Å; K97-Q101 PolarHBondContact O-N 3.36Å; A98-Q101 PolarHBondContact O-N 3.41Å; R99-Q101 VanDerWaalsContact C-N 3.32Å; R99-Q101 PolarHBondContact O-N 2.77Å |
| 102 | A | 93.2 | Very high | 82.3 | Confident | 49 Ų | 49 | 110 Ų | 110 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.3 | -46.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A98 R99 Q104 K105 D106 | A98-A102 PolarHBondContact O-N 2.93Å; R99-A102 PolarHBondContact O-N 3.04Å; A102-Q104 VanDerWaalsContact C-N 3.26Å; A102-Q104 PolarHBondContact O-N 3.35Å; A102-K105 PolarHBondContact O-N 3.34Å; A102-D106 PolarHBondContact O-N 3.4Å |
| 103 | Q | 90 | Very high | 80 | Confident | 141 Ų | 141 | 109 Ų | 109 | 66% | 0.659 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.3 | -30.2 | 179.2 | -68.9 | 175.2 | 21.4 | 0 | 0 | 113.6 | R99 Q100 K105 G107 | R99-Q103 WeakPolarHBondContact O-CG 3.44Å; R99-Q103 PolarHBondContact O-N 3.37Å; R99-Q103 VanDerWaalsContact O-N 3.11Å; Q100-Q103 PolarHBondContact O-N 2.82Å; Q103-K105 VanDerWaalsContact C-N 3.3Å; Q103-G107 PolarHBondContact O-N 3.25Å |
| 104 | Q | 86.1 | Confident | 77.5 | Confident | 157 Ų | 157 | 112.7 Ų | 112.7 | 73% | 0.734 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.5 | -24.7 | 175.9 | -73.9 | 177.9 | -2.6 | 0 | 0 | 113.2 | Q100 A102 | Q100-Q104 WeakPolarHBondContact O-CG 3.42Å; Q100-Q104 PolarHBondContact O-N 3.43Å; A102-Q104 VanDerWaalsContact C-N 3.26Å; A102-Q104 PolarHBondContact O-N 3.35Å |
| 105 | K | 79.8 | Confident | 74.9 | Confident | 175 Ų | 175 | 113.5 Ų | 113.5 | 76% | 0.761 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -81.1 | -28.2 | 177.7 | -68.5 | -178.6 | 178.4 | -171.3 | 0 | 112.5 | A102 Q103 | A102-K105 PolarHBondContact O-N 3.34Å; Q103-K105 VanDerWaalsContact C-N 3.3Å |
| 106 | D | 71.4 | Confident | 72.3 | Confident | 138 Ų | 138 | 115 Ų | 115 | 74% | 0.738 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -97.3 | 8.4 | 179.6 | -56.9 | -40.3 | 0 | 0 | 0 | 112.9 | A102 | A102-D106 PolarHBondContact O-N 3.4Š|
| 107 | G | 65.5 | Low | 69.9 | Low | 37 Ų | 37 | 119.4 Ų | 119.4 | 38% | 0.381 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -61.4 | 142.3 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q103 K109 | Q103-G107 PolarHBondContact O-N 3.25Å; G107-K109 PolarHBondContact O-N 2.94Å |
| 108 | P | 59.1 | Low | 67.6 | Low | 123 Ų | 123 | 118.5 Ų | 118.5 | 80% | 0.799 | 68% | 0.681 | S | S | * | * | trans | -59.2 | 113.2 | -164.5 | 25.1 | -33 | 0 | 0 | 0 | 109.3 | K110 | P108-K110 PolarHBondContact O-N 3.46Š| ||
| 109 | K | 56 | Low | 65 | Low | 202 Ų | 202 | 126.1 Ų | 126.1 | 88% | 0.878 | 71% | 0.711 | S | S | * | * | trans | -54.3 | 100.1 | 153.3 | -71.2 | -176.8 | 179.3 | 175.8 | 0 | 104.9 | G107 G111 | G107-K109 PolarHBondContact O-N 2.94Å; K109-G111 PolarHBondContact O-N 2.83Å; K109-G111 VanDerWaalsContact O-N 3.07Å | ||
| 110 | K | 52.7 | Low | 62.6 | Low | 189 Ų | 189 | 123.4 Ų | 123.4 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | -48.2 | 120.8 | 164 | -87.4 | -175.3 | 171.9 | -174.9 | 0 | 105.9 | P108 E112 | P108-K110 PolarHBondContact O-N 3.46Å; K110-E112 PolarHBondContact O-N 3.08Å; K110-E112 VanDerWaalsContact O-N 3.09Å | ||
| 111 | G | 47.6 | Very low | 60.4 | Low | 70 Ų | 70 | 123 Ų | 123 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | -61.1 | 109.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | K109 | K109-G111 PolarHBondContact O-N 2.83Å; K109-G111 VanDerWaalsContact O-N 3.07Å | ||
| 112 | E | 52.8 | Low | 58.2 | Low | 193 Ų | 193 | 128.9 Ų | 128.9 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -99.1 | 83.9 | 148.1 | -98.8 | 161.2 | 79 | 0 | 0 | 105.8 | K110 | K110-E112 PolarHBondContact O-N 3.08Å; K110-E112 VanDerWaalsContact O-N 3.09Å | ||
| 113 | S | 50.8 | Low | 55.9 | Low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -79.9 | 125 | 159.6 | 42 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 114 | D | 44.9 | Very low | 53.9 | Low | 172 Ų | 172 | 134.7 Ų | 134.7 | 92% | 0.92 | 79% | 0.789 | S | S | * | * | trans | 76.8 | 118.7 | 141.8 | -155.3 | 40.9 | 0 | 0 | 0 | 119.1 | ||||
| 115 | G | 45.1 | Very low | 52.4 | Low | 78 Ų | 78 | 132.6 Ų | 132.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 143.7 | 97.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 116 | G | 43.8 | Very low | 51.3 | Low | 83 Ų | 83 | 130.1 Ų | 130.1 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 152.4 | 87.2 | 157 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 117 | S | 47 | Very low | 50 | Low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -63.6 | 162.8 | 173.8 | -54.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 118 | S | 49.8 | Very low | 49.5 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 82% | 0.818 | S | S | * | * | trans | 69.6 | 111 | 148.4 | -95.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 119 | E | 42.7 | Very low | 49.1 | Very low | 188 Ų | 188 | 133 Ų | 133 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | 71.1 | 111.2 | 107.1 | -152.4 | 165.9 | 179.3 | 0 | 0 | 119 | |||||
| 120 | G | 46.2 | Very low | 49.2 | Very low | 79 Ų | 79 | 129.1 Ų | 129.1 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | -177.9 | 97.6 | 171 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 121 | S | 49.8 | Very low | 48.7 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -70.4 | 166.2 | 178.5 | -67.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 122 | K | 47.9 | Very low | 49.6 | Very low | 204 Ų | 204 | 129.4 Ų | 129.4 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | 95.1 | 145.4 | 155.9 | -53 | 164.5 | -173.7 | 174.6 | 0 | 114.8 | ||||
| 123 | K | 45.4 | Very low | 49.3 | Very low | 193 Ų | 193 | 129.6 Ų | 129.6 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | cis | 170.6 | 123.9 | -12.3 | 170.3 | 173.8 | -178.4 | 177.2 | 0 | 103.9 | ||||
| 124 | S | 48 | Very low | 49.2 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | 153.3 | 121 | 142.8 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 125 | S | 54.6 | Low | 49.6 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -85.4 | 172.8 | 161.6 | -46.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 126 | P | 57.2 | Low | 49.4 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | -146.3 | 139.9 | 83 | 29.8 | -7.9 | 0 | 0 | 0 | 114.7 | |||||
| 127 | A | 43.9 | Very low | 49.7 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | 67.8 | 118.4 | 90 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 128 | T | 54.7 | Low | 49.8 | Very low | 146 Ų | 146 | 136 Ų | 136 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | -172.2 | 133.3 | 129.6 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 129 | T | 50.3 | Low | 49.5 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -124.5 | 162.9 | 179.3 | 3.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 130 | P | 57.2 | Low | 49.9 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | -148.9 | 150.5 | 82.6 | 30.9 | -8.4 | 0 | 0 | 0 | 114.3 | |||||
| 131 | T | 43.5 | Very low | 49.8 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 61% | 0.607 | 80% | 0.801 | S | S | * | * | 74 | 116.6 | 62.5 | -58.1 | 0 | 0 | 0 | 0 | 117.3 | R133 | T131-R133 HydrophobicContact CG2-CG 4.42Š| |||
| 132 | I | 65.2 | Low | 49.7 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -172.4 | 104.8 | 145.5 | -93.6 | 153.2 | 0 | 0 | 0 | 106.5 | ||||
| 133 | R | 47.2 | Very low | 49.7 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | 71.5 | 100.5 | 72.6 | -71.1 | -175.3 | -175 | -111.1 | 3.7 | 115 | T131 | T131-R133 HydrophobicContact CG2-CG 4.42Š| |||
| 134 | Q | 50 | Low | 49.5 | Very low | 168 Ų | 168 | 148 Ų | 148 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | 86.6 | 164 | 94.3 | -93.2 | -170.4 | -17 | 0 | 0 | 115.3 | |||||
| 135 | P | 51.7 | Low | 49.7 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | cis | -140.2 | 179.7 | -30.6 | 37.4 | -16.3 | 0 | 0 | 0 | 116.1 | ||||
| 136 | S | 41.2 | Very low | 49.6 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -65.9 | 169 | 177 | -55.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 137 | P | 50.9 | Low | 49.2 | Very low | 113 Ų | 113 | 149 Ų | 149 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | -158.5 | 155.6 | 99.2 | 39.2 | -18.3 | 0 | 0 | 0 | 120.1 | |||||
| 138 | Q | 47.5 | Very low | 49.6 | Very low | 178 Ų | 178 | 149.2 Ų | 149.2 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 55.8 | 117.3 | 134.9 | -64.7 | 174.1 | -16.3 | 0 | 0 | 125.3 | ||||
| 139 | Q | 44.1 | Very low | 49.2 | Very low | 181 Ų | 181 | 151.4 Ų | 151.4 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | 34.6 | 124.2 | 129.4 | -66.1 | 177.8 | -4.1 | 0 | 0 | 121.4 | |||||
| 140 | Q | 52.1 | Low | 49.5 | Very low | 201 Ų | 201 | 154 Ų | 154 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | -161.1 | 133.5 | 130.3 | -107.9 | 168.9 | 24.6 | 0 | 0 | 113.7 | ||||
| 141 | K | 42.6 | Very low | 49.3 | Very low | 197 Ų | 197 | 156.7 Ų | 156.7 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -60.6 | 146.9 | 173.8 | -71 | 167.5 | 169.1 | 173.2 | 0 | 112.5 | ||||
| 142 | K | 48.2 | Very low | 50 | Low | 175 Ų | 175 | 160.1 Ų | 160.1 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | 166.7 | 123.3 | 115.3 | -91.9 | 170.7 | -179.3 | 175.3 | 0 | 113.7 | |||||
| 143 | K | 47.7 | Very low | 49.8 | Very low | 187 Ų | 187 | 157.7 Ų | 157.7 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | 76.6 | 116.5 | 131.7 | -59.4 | 176.7 | -179.1 | -164.2 | 0 | 120.5 | ||||
| 144 | E | 41.7 | Very low | 50.3 | Low | 182 Ų | 182 | 153.8 Ų | 153.8 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -61 | -174.2 | 158.6 | -50.3 | -160.1 | 134.9 | 0 | 0 | 112.7 | ||||
| 145 | P | 51.3 | Low | 50.8 | Low | 100 Ų | 100 | 155.5 Ų | 155.5 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | cis | -148.6 | -171.3 | 12.2 | 35.6 | -9.4 | 0 | 0 | 0 | 117.9 | ||||
| 146 | L | 54.4 | Low | 50.8 | Low | 147 Ų | 147 | 154.3 Ų | 154.3 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | 103.3 | 108.9 | 150 | -64.3 | 156.1 | 0 | 0 | 0 | 119.2 | ||||
| 147 | T | 46.8 | Very low | 51.4 | Low | 127 Ų | 127 | 158.5 Ų | 158.5 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | 70.4 | 107.1 | 119.7 | -51.5 | 0 | 0 | 0 | 0 | 119 | |||||
| 148 | A | 53.2 | Low | 51.1 | Low | 95 Ų | 95 | 158.2 Ų | 158.2 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | -167.2 | 108.1 | 127.4 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 149 | Q | 46.2 | Very low | 51.2 | Low | 192 Ų | 192 | 156.1 Ų | 156.1 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -68 | 134.7 | 162.4 | -73.2 | -172.8 | -26.3 | 0 | 0 | 109.3 | ||||
| 150 | M | 57 | Low | 51.6 | Low | 178 Ų | 178 | 153.1 Ų | 153.1 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -149 | 93.3 | 158.4 | -117.1 | 153.7 | 70.1 | 0 | 0 | 111.1 | ||||
| 151 | Q | 52.2 | Low | 51.2 | Low | 175 Ų | 175 | 148.9 Ų | 148.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 23.2 | 118 | 135.3 | -151.7 | 77.5 | 15 | 0 | 0 | 118.6 | ||||
| 152 | M | 57.9 | Low | 51.4 | Low | 172 Ų | 172 | 145.4 Ų | 145.4 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -109.5 | 130.9 | 161.1 | -63.2 | -72.1 | -76 | 0 | 0 | 108.9 | ||||
| 153 | P | 61.8 | Low | 51.2 | Low | 114 Ų | 114 | 143.4 Ų | 143.4 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | trans | -91.8 | 126.6 | 172.4 | 31.7 | -27.1 | 0 | 0 | 0 | 111.4 | ||||
| 154 | S | 58.3 | Low | 51.4 | Low | 117 Ų | 117 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -79.6 | 124.3 | 168 | 62.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 155 | Y | 60.4 | Low | 51.8 | Low | 204 Ų | 204 | 137.3 Ų | 137.3 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -90.1 | 110 | 165.4 | 45.1 | -90.5 | 0 | 0 | 0 | 109.2 | ||||
| 156 | A | 51.1 | Low | 51.6 | Low | 90 Ų | 90 | 140.3 Ų | 140.3 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | -82.3 | 125.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | S158 | A156-S158 PolarHBondContact O-N 3.01Š| ||
| 157 | Y | 53.5 | Low | 51 | Low | 203 Ų | 203 | 138.5 Ų | 138.5 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -85.8 | 105.3 | 166.7 | 29.5 | -90 | 0 | 0 | 0 | 108.2 | T159 | Y157-T159 PolarHBondContact O-N 3.34Š| ||
| 158 | S | 44.3 | Very low | 51.2 | Low | 107 Ų | 107 | 139.3 Ų | 139.3 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -70.4 | 121.1 | 170.1 | -64.6 | 0 | 0 | 0 | 0 | 110.2 | A156 T160 | A156-S158 PolarHBondContact O-N 3.01Å; S158-T160 PolarHBondContact O-N 2.82Å | ||
| 159 | T | 49.5 | Very low | 50.6 | Low | 134 Ų | 134 | 143.5 Ų | 143.5 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -76.2 | 109.4 | 166.9 | -41.8 | 0 | 0 | 0 | 0 | 108.5 | Y157 | Y157-T159 PolarHBondContact O-N 3.34Š| ||
| 160 | T | 52.6 | Low | 50.5 | Low | 119 Ų | 119 | 139.8 Ų | 139.8 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | trans | -93.6 | 104.5 | 166.2 | 42.4 | 0 | 0 | 0 | 0 | 109.3 | S158 T162 | S158-T160 PolarHBondContact O-N 2.82Å; T160-T162 PolarHBondContact O-N 3.46Å | ||
| 161 | S | 44.6 | Very low | 50.2 | Low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -74 | 110.3 | 162.3 | 41.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 162 | T | 46.5 | Very low | 49.7 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -114.6 | 106.6 | 168.2 | -52.1 | 0 | 0 | 0 | 0 | 109.2 | T160 | T160-T162 PolarHBondContact O-N 3.46Š| ||
| 163 | T | 44 | Very low | 49.3 | Very low | 133 Ų | 133 | 133 Ų | 133 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -71 | 121.2 | 164.2 | -56.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 164 | S | 51.5 | Low | 48.3 | Very low | 97 Ų | 97 | 132 Ų | 132 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -157.1 | 108 | 147.9 | 52 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 165 | N | 50.1 | Low | 47.5 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -18.6 | 123 | 147.9 | 41 | -50.4 | 0 | 0 | 0 | 116.9 | ||||
| 166 | N | 46.8 | Very low | 46.8 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -153.3 | 135 | 131.7 | -133.5 | -1 | 0 | 0 | 0 | 112.4 | ||||
| 167 | S | 43 | Very low | 47.1 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -78.3 | 134.7 | -173.1 | -52.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 168 | T | 49.8 | Very low | 46.6 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -157.6 | 128.3 | 143 | 38.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 169 | M | 40.5 | Very low | 46.5 | Very low | 182 Ų | 182 | 135 Ų | 135 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -63.3 | 147.5 | -171.8 | -55.8 | 176.3 | 79.4 | 0 | 0 | 113.5 | ||||
| 170 | S | 45.8 | Very low | 46.4 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -169.8 | 97.7 | 141.3 | -80.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 171 | T | 49.7 | Very low | 46.1 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | 36 | 105.9 | 146.4 | -30.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 172 | I | 41.8 | Very low | 45.8 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -99 | 113.5 | 157.9 | -29.1 | 173.1 | 0 | 0 | 0 | 106.8 | ||||
| 173 | A | 49.6 | Very low | 45.5 | Very low | 75 Ų | 75 | 137.6 Ų | 137.6 | 62% | 0.62 | 79% | 0.788 | S | S | * | * | trans | -90.8 | 100.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 174 | A | 40.3 | Very low | 45.5 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -73.6 | 122.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 175 | W | 42.9 | Very low | 45.2 | Very low | 242 Ų | 242 | 138.9 Ų | 138.9 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -99.5 | 105.3 | 167.2 | -73.4 | 62.7 | 0 | 0 | 0 | 107.7 | ||||
| 176 | N | 44.2 | Very low | 44.7 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -114.8 | 105.8 | 175.2 | -161.3 | 10.2 | 0 | 0 | 0 | 106.8 | ||||
| 177 | P | 57 | Low | 44.5 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -99 | 96.1 | 167.8 | 29.3 | -17.6 | 0 | 0 | 0 | 108.5 | ||||
| 178 | T | 44.7 | Very low | 44.4 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 58% | 0.583 | 79% | 0.79 | S | S | * | * | trans | -95.1 | 135.5 | 164.3 | -148.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 179 | M | 41.1 | Very low | 43.6 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | trans | 65.5 | 99.5 | 156.9 | -51.3 | -178 | -154.9 | 0 | 0 | 118.6 | ||||
| 180 | A | 47.6 | Very low | 43.5 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -170.3 | 128.5 | 134.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 181 | H | 46.3 | Very low | 43 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 68.1 | 102.6 | 157.7 | -115.4 | -109.4 | 0 | 0 | 0 | 118.3 | ||||
| 182 | E | 37.4 | Very low | 42.4 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 64% | 0.64 | 78% | 0.778 | S | S | * | * | 80.4 | 116.9 | 76 | -177.7 | -175.1 | 140.3 | 0 | 0 | 113.6 | |||||
| 183 | N | 41.7 | Very low | 41.9 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | 66.3 | 106.4 | 159 | -74.7 | -46.9 | 0 | 0 | 0 | 120.3 | ||||
| 184 | G | 43.3 | Very low | 41.2 | Very low | 63 Ų | 63 | 143.4 Ų | 143.4 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | 118.5 | 107.3 | 123.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 185 | Q | 46.2 | Very low | 40.9 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | 75.2 | 100.3 | 141 | -55.2 | 172.1 | 46.5 | 0 | 0 | 116.3 | ||||
| 186 | M | 39.4 | Very low | 40.7 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 84% | 0.837 | 78% | 0.777 | S | S | * | * | 63.2 | 91.3 | 68.2 | -156.8 | 179.3 | -158.6 | 0 | 0 | 114.2 | |||||
| 187 | A | 43 | Very low | 40.6 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -168.8 | 95 | 147.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 188 | Q | 40.1 | Very low | 39.9 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | 61.9 | 105.4 | 92.1 | -70.3 | -169.5 | 8.3 | 0 | 0 | 115.2 | |||||
| 189 | N | 33.1 | Very low | 39.4 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | 4 | 119.7 | 147.9 | -67.6 | 10.7 | 0 | 0 | 0 | 117.9 | ||||
| 190 | M | 37.2 | Very low | 39.2 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | -137.1 | 94.2 | 145.9 | -77.5 | -77.4 | -150 | 0 | 0 | 108.4 | F192 | M190-F192 HydrophobicContact SD-CE2 4.38Š| ||
| 191 | F | 35.6 | Very low | 38.6 | Very low | 175 Ų | 175 | 144.7 Ų | 144.7 | 77% | 0.768 | 79% | 0.788 | S | S | * | * | trans | -73.8 | 120 | 160.8 | -78.7 | -97.4 | 0 | 0 | 0 | 108.1 | ||||
| 192 | F | 37.2 | Very low | 38 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -140.9 | 107.3 | 152.7 | -85.3 | -74.2 | 0 | 0 | 0 | 111.2 | M190 | M190-F192 HydrophobicContact SD-CE2 4.38Š| ||
| 193 | N | 31 | Very low | 37.9 | Very low | 156 Ų | 156 | 145.6 Ų | 145.6 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -67.3 | 128.5 | 162.5 | -178.3 | 23.7 | 0 | 0 | 0 | 108.9 | ||||
| 194 | G | 36.1 | Very low | 37.8 | Very low | 71 Ų | 71 | 142.5 Ų | 142.5 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | -143.1 | 70.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S196 | G194-S196 PolarHBondContact O-N 2.79Š| ||
| 195 | N | 34.4 | Very low | 37.8 | Very low | 158 Ų | 158 | 146 Ų | 146 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -64.6 | 119.2 | 159.7 | -106.2 | 6.5 | 0 | 0 | 0 | 108.5 | ||||
| 196 | S | 39 | Very low | 37.5 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -136.4 | 103.6 | 159.8 | -95.1 | 0 | 0 | 0 | 0 | 109.6 | G194 | G194-S196 PolarHBondContact O-N 2.79Š| ||
| 197 | V | 41.3 | Very low | 37.7 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -61.2 | 127.7 | 158.8 | -78.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 198 | K | 42.2 | Very low | 37.7 | Very low | 200 Ų | 200 | 141.8 Ų | 141.8 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | -122.7 | 105.3 | 165.7 | -72 | -169.7 | 177.6 | -171.5 | 0 | 109 | ||||
| 199 | T | 33.6 | Very low | 38.1 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -86.2 | 126.5 | 159.4 | -67.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 200 | A | 38 | Very low | 38.5 | Very low | 86 Ų | 86 | 139.4 Ų | 139.4 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -174.7 | 107.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 201 | Q | 35.4 | Very low | 38.7 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | 75.6 | 120.4 | 83.7 | -81.3 | -172.6 | -19.1 | 0 | 0 | 114.5 | |||||
| 202 | S | 32.3 | Very low | 38.7 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | 65 | 139.1 | 153.3 | 39.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 203 | Y | 36.1 | Very low | 39.1 | Very low | 216 Ų | 216 | 132.5 Ų | 132.5 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | cis | -167.7 | 158.4 | 48.4 | 29.6 | -100.5 | 0 | 0 | 0 | 112.2 | ||||
| 204 | A | 40.3 | Very low | 39.4 | Very low | 82 Ų | 82 | 135.6 Ų | 135.6 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | 72 | 101.4 | 142.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 205 | T | 42.7 | Very low | 39.7 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | 67.7 | 114.3 | 96.3 | 29.1 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 206 | S | 39.8 | Very low | 40 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | -168.1 | 132.5 | 122.1 | -79.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 207 | A | 42.4 | Very low | 40 | Very low | 99 Ų | 99 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -97 | 142.7 | -174 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 208 | N | 44 | Very low | 40.1 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -165 | 110.3 | 148.9 | -139.6 | -82.8 | 0 | 0 | 0 | 107.3 | ||||
| 209 | Q | 47.9 | Very low | 40.1 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | 48.6 | 125.4 | 98.2 | -115.9 | 177.4 | 21.1 | 0 | 0 | 111.7 | |||||
| 210 | S | 41.4 | Very low | 40.9 | Very low | 86 Ų | 86 | 136.6 Ų | 136.6 | 60% | 0.601 | 78% | 0.78 | S | S | * | * | cis | 176.6 | 162.4 | 3.7 | 34.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 211 | Q | 41.4 | Very low | 41.6 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | 79.3 | 111.9 | 156.2 | -44.3 | -147 | 12.5 | 0 | 0 | 118.8 | ||||
| 212 | G | 37.3 | Very low | 42.4 | Very low | 73 Ų | 73 | 137.5 Ų | 137.5 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | -121.5 | 109.9 | 146.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 213 | I | 45.1 | Very low | 43 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -125.4 | 115.8 | 161.8 | -67.3 | -74.5 | 0 | 0 | 0 | 105.8 | ||||
| 214 | Y | 36.9 | Very low | 43.4 | Very low | 221 Ų | 221 | 129.6 Ų | 129.6 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -77.8 | 129.8 | 169 | -83.5 | -99 | 0 | 0 | 0 | 109.1 | ||||
| 215 | I | 41.3 | Very low | 43.9 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 176.3 | 125.1 | 131.1 | 46.8 | 174.6 | 0 | 0 | 0 | 108.6 | ||||
| 216 | H | 40.9 | Very low | 44.2 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | 169.7 | 127.8 | 111.4 | -140.6 | 70.5 | 0 | 0 | 0 | 110.4 | |||||
| 217 | S | 40.7 | Very low | 44.8 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -74.1 | 136.5 | 167.4 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 218 | G | 42.3 | Very low | 45.3 | Very low | 64 Ų | 64 | 137.6 Ų | 137.6 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | trans | 175.2 | 88.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 219 | Y | 42.9 | Very low | 45.5 | Very low | 231 Ų | 231 | 140.8 Ų | 140.8 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | 25.7 | 125.1 | 152.6 | -74 | -92.9 | 0 | 0 | 0 | 121.2 | ||||
| 220 | A | 49.2 | Very low | 45.8 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -63.1 | 168.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 221 | P | 54.2 | Low | 46.5 | Very low | 110 Ų | 110 | 138 Ų | 138 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | -148.4 | 141.5 | 108.9 | 27.6 | -6.4 | 0 | 0 | 0 | 117.3 | |||||
| 222 | I | 51.7 | Low | 46.9 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | 73.2 | 119.8 | 123.9 | -56.9 | 169.7 | 0 | 0 | 0 | 120.3 | |||||
| 223 | G | 45.7 | Very low | 47.4 | Very low | 80 Ų | 80 | 135.9 Ų | 135.9 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | 105.6 | 118.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 224 | G | 42.6 | Very low | 47.9 | Very low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | cis | 173.3 | 151.2 | 5.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 225 | P | 51.5 | Low | 48.5 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -92.9 | 143.5 | -160.5 | 34.9 | -31.8 | 0 | 0 | 0 | 113.3 | ||||
| 226 | H | 48.2 | Very low | 49.1 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | -113.3 | 109.1 | 161.6 | -167.4 | -95.4 | 0 | 0 | 0 | 109.3 | ||||
| 227 | V | 54.3 | Low | 49.6 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 62% | 0.618 | 78% | 0.78 | S | S | * | * | trans | -93.8 | 127.2 | 174.5 | 175.4 | 0 | 0 | 0 | 0 | 107.6 | Y229 | V227-Y229 HydrophobicContact CG1-CD2 3.66Å; V227-Y229 HydrophobicContact CG1-CE2 3.74Å | ||
| 228 | Y | 52.9 | Low | 50.2 | Low | 214 Ų | 214 | 136 Ų | 136 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -126.5 | 123.3 | 160.9 | -152.3 | -93.6 | 0 | 0 | 0 | 109.3 | ||||
| 229 | Y | 47.9 | Very low | 50.4 | Low | 208 Ų | 208 | 141.9 Ų | 141.9 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | trans | -84.2 | 152.7 | -175.6 | -95.8 | -101.3 | 0 | 0 | 0 | 112.3 | V227 | V227-Y229 HydrophobicContact CG1-CD2 3.66Å; V227-Y229 HydrophobicContact CG1-CE2 3.74Å | ||
| 230 | G | 52.6 | Low | 50.7 | Low | 66 Ų | 66 | 142.9 Ų | 142.9 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | trans | 128.5 | 155.4 | 145.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 231 | P | 57.2 | Low | 50.5 | Low | 129 Ų | 129 | 143.2 Ų | 143.2 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | -124 | 170.6 | -68.2 | 23.4 | -5.1 | 0 | 0 | 0 | 112.2 | |||||
| 232 | P | 49 | Very low | 50.2 | Low | 133 Ų | 133 | 143.4 Ų | 143.4 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -91.7 | 157.1 | -166.5 | 36.5 | -32.9 | 0 | 0 | 0 | 114 | ||||
| 233 | G | 49.1 | Very low | 50 | Low | 73 Ų | 73 | 141.5 Ų | 141.5 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 112.9 | 105.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 234 | V | 54.6 | Low | 49.9 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -154.6 | 133 | 132.9 | -80.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 235 | D | 49.4 | Very low | 50.4 | Low | 126 Ų | 126 | 144.7 Ų | 144.7 | 67% | 0.674 | 79% | 0.791 | S | S | * | * | trans | -60.2 | 140 | 179.5 | -158.3 | -74.7 | 0 | 0 | 0 | 112.2 | M237 | D235-M237 VanDerWaalsContact OD1-CB 3.3Å; D235-M237 WeakPolarHBondContact OD1-CB 3.31Å; D235-M237 PolarHBondContact OD1-N 3.44Å | ||
| 236 | W | 54.3 | Low | 50 | Low | 232 Ų | 232 | 143.4 Ų | 143.4 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -125.2 | 29.8 | 169.4 | -82.7 | 100.1 | 0 | 0 | 0 | 111.9 | H238 | W236-H238 PolarHBondContact O-N 3.06Š| ||
| 237 | M | 52 | Low | 49.8 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -81.6 | 53.6 | 173.7 | -163 | 152.9 | 76.2 | 0 | 0 | 112.3 | D235 | D235-M237 VanDerWaalsContact OD1-CB 3.3Å; D235-M237 WeakPolarHBondContact OD1-CB 3.31Å; D235-M237 PolarHBondContact OD1-N 3.44Å | ||
| 238 | H | 53.4 | Low | 49.2 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -149.9 | 140.9 | 163.2 | -82.3 | -86.1 | 0 | 0 | 0 | 111.1 | W236 | W236-H238 PolarHBondContact O-N 3.06Š| ||
| 239 | Q | 45.8 | Very low | 48.8 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | 99.4 | 74.9 | 156.6 | -148.8 | 158 | 44 | 0 | 0 | 118.3 | ||||
| 240 | W | 48.5 | Very low | 48.7 | Very low | 253 Ų | 253 | 134.8 Ų | 134.8 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | trans | -136.3 | 64.2 | 134.2 | 56.8 | 18.4 | 0 | 0 | 0 | 110.2 | ||||
| 241 | S | 44.6 | Very low | 48.2 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -136.4 | 120.8 | 163.8 | -64.7 | 0 | 0 | 0 | 0 | 106.6 | ||
| 242 | S | 48.3 | Very low | 48.1 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | 46.7 | 119.9 | 157.3 | -58.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 243 | T | 48.8 | Very low | 49 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | 160.7 | 116.7 | 112.4 | -67.2 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 244 | A | 43.1 | Very low | 49.5 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 132.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 245 | P | 53.2 | Low | 49 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 118.6 | 168.3 | 29.7 | -28.1 | 0 | 0 | 0 | 110.7 | ||
| 246 | A | 41.8 | Very low | 48.8 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 148.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 247 | A | 44.6 | Very low | 48.3 | Very low | 89 Ų | 89 | 131.7 Ų | 131.7 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | 175.8 | 109.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 248 | M | 42.8 | Very low | 48.2 | Very low | 189 Ų | 189 | 129 Ų | 129 | 93% | 0.931 | 81% | 0.806 | S | S | * | * | 69.4 | 102.7 | 86 | -64.8 | -92.8 | -176.4 | 0 | 0 | 112.8 | |||||
| 249 | A | 44.5 | Very low | 47.7 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | 173.8 | 87.7 | 150 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 250 | V | 46.1 | Very low | 48 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | 53.8 | 108.2 | 106.6 | -170.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 251 | G | 41.1 | Very low | 47.9 | Very low | 77 Ų | 77 | 121.3 Ų | 121.3 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -164.2 | 93.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 252 | M | 54.8 | Low | 47.9 | Very low | 175 Ų | 175 | 121 Ų | 121 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 141.5 | -178.9 | -61.1 | 154.2 | 75.5 | 0 | 0 | 112.2 | ||
| 253 | P | 67.2 | Low | 47.7 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 151 | 156.2 | 32.8 | -29.7 | 0 | 0 | 0 | 111.8 | ||
| 254 | P | 59.8 | Low | 47.7 | Very low | 130 Ų | 130 | 119.2 Ų | 119.2 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 149 | -165.3 | 32.2 | -34.4 | 0 | 0 | 0 | 114.3 | ||
| 255 | N | 45.6 | Very low | 48 | Very low | 173 Ų | 173 | 119.1 Ų | 119.1 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -45.9 | 140.4 | 167.4 | -112.4 | -32.5 | 0 | 0 | 0 | 113.9 | ||||
| 256 | G | 44.2 | Very low | 47.8 | Very low | 70 Ų | 70 | 118.5 Ų | 118.5 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 177.4 | 61.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 257 | S | 45 | Very low | 48.4 | Very low | 83 Ų | 83 | 118.5 Ų | 118.5 | 58% | 0.58 | 81% | 0.807 | S | S | * | * | trans | 25.2 | 111.2 | 140.1 | 161.1 | 0 | 0 | 0 | 0 | 118.3 | Y259 | S257-Y259 VanDerWaalsContact OG-CE2 3.23Å; S257-Y259 WeakPolarHBondContact OG-CE2 3.41Å; S257-Y259 PolarHBondContact OG-OH 3.25Å | ||
| 258 | A | 48.8 | Very low | 49 | Very low | 98 Ų | 98 | 119.7 Ų | 119.7 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | -168.9 | 149.4 | 128.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 259 | Y | 43.5 | Very low | 49.7 | Very low | 198 Ų | 198 | 116.7 Ų | 116.7 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -112.2 | 176.8 | -153.1 | -43.1 | -95.6 | 0 | 0 | 0 | 110.6 | S257 | S257-Y259 VanDerWaalsContact OG-CE2 3.23Å; S257-Y259 WeakPolarHBondContact OG-CE2 3.41Å; S257-Y259 PolarHBondContact OG-OH 3.25Å | ||
| 260 | A | 50.7 | Low | 49.7 | Very low | 88 Ų | 88 | 122.4 Ų | 122.4 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | 88.1 | 103.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 261 | N | 46.6 | Very low | 50.3 | Low | 164 Ų | 164 | 123.6 Ų | 123.6 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | 75.1 | 133.7 | 68.8 | -84.3 | -37.3 | 0 | 0 | 0 | 114.9 | |||||
| 262 | A | 45.7 | Very low | 50.9 | Low | 93 Ų | 93 | 124.5 Ų | 124.5 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 96.8 | 110.1 | 144.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 263 | A | 44.2 | Very low | 50.7 | Low | 101 Ų | 101 | 124.2 Ų | 124.2 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | 89.8 | 111.2 | 120.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 264 | A | 48.3 | Very low | 49.9 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | 141.9 | 142.6 | 135.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 265 | A | 50.4 | Low | 49.6 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | cis | -178.5 | 160 | -14 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 266 | A | 49 | Very low | 49.4 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | 83.8 | 113.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 267 | A | 53.4 | Low | 50.2 | Low | 98 Ų | 98 | 127.4 Ų | 127.4 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -116.5 | -169.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 268 | P | 56.8 | Low | 50.9 | Low | 115 Ų | 115 | 134.2 Ų | 134.2 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | -126 | 170.8 | -117.9 | 33.3 | -12 | 0 | 0 | 0 | 114.7 | |||||
| 269 | T | 59 | Low | 51.4 | Low | 125 Ų | 125 | 138.8 Ų | 138.8 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | trans | -161.8 | 150.3 | 159.6 | -36.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 270 | Y | 44.3 | Very low | 52 | Low | 215 Ų | 215 | 136.3 Ų | 136.3 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | 89 | 92.2 | 168.1 | -72.2 | -82.9 | 0 | 0 | 0 | 117.1 | ||||
| 271 | H | 58.9 | Low | 52 | Low | 169 Ų | 169 | 140.3 Ų | 140.3 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | 82.8 | 121.5 | 69.6 | -158.5 | 78.6 | 0 | 0 | 0 | 114.5 | |||||
| 272 | P | 52.6 | Low | 52.1 | Low | 97 Ų | 97 | 141.3 Ų | 141.3 | 63% | 0.63 | 80% | 0.795 | S | S | * | * | trans | -100.9 | 169.2 | -173.5 | 40.1 | -33.3 | 0 | 0 | 0 | 113.3 | ||||
| 273 | Q | 50.9 | Low | 52.6 | Low | 169 Ų | 169 | 141.7 Ų | 141.7 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | 149 | 114.5 | 147.8 | -79.8 | -89.4 | 32.1 | 0 | 0 | 109.8 | ||||
| 274 | N | 50.2 | Low | 53.1 | Low | 163 Ų | 163 | 142 Ų | 142 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -147.5 | 97.6 | 152.9 | -132.9 | -2.7 | 0 | 0 | 0 | 109.1 | ||||
| 275 | A | 53.7 | Low | 53.7 | Low | 78 Ų | 78 | 145.6 Ų | 145.6 | 65% | 0.645 | 83% | 0.83 | S | S | * | * | trans | -85.5 | 130.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 276 | Y | 41.1 | Very low | 53.8 | Low | 206 Ų | 206 | 148.3 Ų | 148.3 | 81% | 0.808 | 83% | 0.833 | S | S | * | * | trans | -79.4 | 132.3 | 167 | -75.3 | -85.7 | 0 | 0 | 0 | 109.6 | ||||
| 277 | P | 61.2 | Low | 54.1 | Low | 111 Ų | 111 | 150.3 Ų | 150.3 | 72% | 0.721 | 83% | 0.829 | S | S | * | * | -145.9 | 124.6 | 118.8 | 32.6 | -15.4 | 0 | 0 | 0 | 113.1 | |||||
| 278 | Y | 59.1 | Low | 54.1 | Low | 226 Ų | 226 | 153.2 Ų | 153.2 | 89% | 0.886 | 83% | 0.83 | S | S | * | * | trans | -88.9 | 110.1 | 166.3 | -88.8 | -84.6 | 0 | 0 | 0 | 110 | ||||
| 279 | F | 60.7 | Low | 54 | Low | 194 Ų | 194 | 155.4 Ų | 155.4 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | -84.2 | 152.4 | 167.1 | -121.7 | -94.4 | 0 | 0 | 0 | 110.6 | ||||
| 280 | I | 54.7 | Low | 53.6 | Low | 146 Ų | 146 | 157.3 Ų | 157.3 | 75% | 0.749 | 84% | 0.839 | S | S | * | * | trans | -62.6 | 138.6 | -177 | -66.8 | 174.8 | 0 | 0 | 0 | 113.4 | ||||
| 281 | Q | 51.2 | Low | 54.3 | Low | 173 Ų | 173 | 153.5 Ų | 153.5 | 81% | 0.808 | 84% | 0.839 | S | S | * | * | trans | -167.7 | 150.5 | 138.1 | -145.1 | 90.4 | 51.3 | 0 | 0 | 112.3 | ||||
| 282 | Q | 49.6 | Very low | 53.9 | Low | 185 Ų | 185 | 152.4 Ų | 152.4 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | trans | 90.2 | 107.3 | 160.1 | -70.8 | 170.6 | 4.7 | 0 | 0 | 118.7 | ||||
| 283 | A | 55 | Low | 54 | Low | 101 Ų | 101 | 156.6 Ų | 156.6 | 84% | 0.835 | 86% | 0.86 | S | S | * | * | -156.8 | 129 | 105.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 284 | A | 54 | Low | 54.3 | Low | 107 Ų | 107 | 155.6 Ų | 155.6 | 88% | 0.884 | 87% | 0.865 | S | S | * | * | trans | -78.1 | 136.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 285 | A | 61.2 | Low | 54.7 | Low | 177 Ų | 177 | 154.9 Ų | 154.9 | 100% | 1.463 | 87% | 0.865 | S | S | * | * | trans | -163.5 | 0 | 149.1 | 0 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 285 of 285 residues in 47.5 ms
(Link to these results)