| 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 | 31 | Very low | 30.6 | Very low | 226 Ų | 226 | 157.2 Ų | 157.2 | 100% | 1.113 | 85% | 0.845 | S | S | * | * | 0 | 108.2 | 0 | -64 | 165 | -174.3 | 0 | 0 | 105 | |||||
| 2 | M | 32.7 | Very low | 30.4 | Very low | 182 Ų | 182 | 154.8 Ų | 154.8 | 90% | 0.897 | 84% | 0.84 | S | S | * | * | 76.9 | 136 | 95.6 | -72.5 | 170.4 | 172.4 | 0 | 0 | 112.4 | |||||
| 3 | V | 30.6 | Very low | 30.5 | Very low | 122 Ų | 122 | 152.7 Ų | 152.7 | 74% | 0.739 | 84% | 0.836 | S | S | * | * | cis | -161.8 | -175.1 | -24.6 | 104.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 4 | E | 34.8 | Very low | 31.2 | Very low | 161 Ų | 161 | 151.2 Ų | 151.2 | 75% | 0.752 | 84% | 0.838 | S | S | * | * | trans | -44.9 | 163.8 | 173.5 | -64 | 142.4 | 110.5 | 0 | 0 | 115.1 | ||||
| 5 | S | 29.8 | Very low | 31 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | -163.4 | 168.4 | 52.8 | -66.9 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 6 | A | 32.6 | Very low | 30.7 | Very low | 92 Ų | 92 | 147.5 Ų | 147.5 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -100.8 | 168.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 7 | S | 29.6 | Very low | 30.7 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 88% | 0.881 | 82% | 0.82 | S | S | * | * | trans | -169.3 | 154.5 | 146.1 | -83.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 8 | E | 30.6 | Very low | 30.4 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -91.8 | 173.8 | -179.8 | -61.4 | 161.7 | 98.7 | 0 | 0 | 112 | ||||
| 9 | T | 29.8 | Very low | 30.3 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | trans | -146.6 | 132.8 | 155.3 | -70.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 10 | I | 27.5 | Very low | 30.2 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 68% | 0.677 | 82% | 0.817 | S | S | * | * | trans | -96.2 | 145.9 | -175.2 | -61.6 | 160 | 0 | 0 | 0 | 109.7 | T12 | I10-T12 HydrophobicContact CG2-CG2 4.1Š| ||
| 11 | R | 28 | Very low | 30.1 | Very low | 248 Ų | 248 | 142.4 Ų | 142.4 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | trans | -135 | 131.5 | 149.6 | -75.5 | -163.8 | 175.7 | -172.2 | -0.6 | 111.1 | ||||
| 12 | T | 28 | Very low | 29.9 | Very low | 128 Ų | 128 | 136 Ų | 136 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -106.7 | 177.4 | 179.5 | 36.6 | 0 | 0 | 0 | 0 | 111.5 | I10 | I10-T12 HydrophobicContact CG2-CG2 4.1Š| ||
| 13 | T | 31.9 | Very low | 29.6 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -70.3 | 173.7 | -173.6 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 14 | P | 39.6 | Very low | 29.5 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | -134.7 | -179.6 | 93.7 | 38.6 | -28.1 | 0 | 0 | 0 | 114.5 | |||||
| 15 | S | 29.1 | Very low | 29.1 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -133.6 | 148 | 179.7 | 174.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 16 | N | 25.8 | Very low | 29.1 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | 176.6 | 160.5 | 162.3 | -92.8 | -19.7 | 0 | 0 | 0 | 109.9 | ||||
| 17 | Q | 30.4 | Very low | 28.9 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | cis | -165.8 | -178.8 | -41.6 | -123.7 | -169.2 | 103.8 | 0 | 0 | 108.4 | ||||
| 18 | N | 25.9 | Very low | 29 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | 74.1 | 141.7 | 177.2 | -50.8 | -16.9 | 0 | 0 | 0 | 117 | ||||
| 19 | G | 27.8 | Very low | 28.9 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | cis | 136.9 | 98.2 | -22.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 20 | V | 28.3 | Very low | 28.9 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -160.1 | 138.8 | 150.7 | -87.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 21 | S | 27.5 | Very low | 28.9 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | cis | 79.3 | 129 | 32.6 | -55.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 22 | S | 27.1 | Very low | 28.9 | Very low | 93 Ų | 93 | 120.5 Ų | 120.5 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | cis | -168.4 | 143.8 | -0.4 | -101.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 23 | L | 27.6 | Very low | 29.1 | Very low | 165 Ų | 165 | 124.7 Ų | 124.7 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 58.5 | 175.6 | 149 | -51.3 | 170 | 0 | 0 | 0 | 116 | ||||
| 24 | S | 26.7 | Very low | 29 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | cis | -157.6 | 171.6 | 1.3 | -5.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 25 | S | 26.8 | Very low | 28.5 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | cis | -162.4 | -176.4 | -1.6 | -106.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 26 | Q | 30.3 | Very low | 28.5 | Very low | 177 Ų | 177 | 123 Ų | 123 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -81.1 | 165.9 | 175.2 | -63.7 | 157.9 | -100.7 | 0 | 0 | 114.3 | ||||
| 27 | S | 29.2 | Very low | 28.8 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -142.6 | 146.6 | 149 | 58.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 28 | D | 30 | Very low | 29.2 | Very low | 159 Ų | 159 | 122 Ų | 122 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | -98.1 | 156.6 | -173.1 | -93.7 | -63.5 | 0 | 0 | 0 | 114.3 | ||||
| 29 | G | 29 | Very low | 29.5 | Very low | 79 Ų | 79 | 118.2 Ų | 118.2 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | 104.3 | 150.4 | 134.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 30 | G | 29.2 | Very low | 29.8 | Very low | 83 Ų | 83 | 122 Ų | 122 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | 107.6 | 99.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 31 | G | 28.2 | Very low | 30.1 | Very low | 88 Ų | 88 | 121.2 Ų | 121.2 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -86.1 | 166.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 32 | G | 28 | Very low | 30.5 | Very low | 80 Ų | 80 | 123.5 Ų | 123.5 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -160.1 | 164.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 33 | R | 31.9 | Very low | 30.9 | Very low | 216 Ų | 216 | 122.4 Ų | 122.4 | 82% | 0.815 | 82% | 0.82 | S | S | * | * | trans | -132.5 | 160 | -174.4 | -71 | 170.8 | 48.3 | 169.8 | -5.2 | 112.6 | ||||
| 34 | E | 29.9 | Very low | 31.4 | Very low | 166 Ų | 166 | 124.1 Ų | 124.1 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | 78.9 | 157.3 | 158.4 | -37.8 | -155.2 | 155.3 | 0 | 0 | 117.7 | ||||
| 35 | G | 28.8 | Very low | 32.3 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | 107.6 | 85 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 36 | G | 30.9 | Very low | 33.1 | Very low | 83 Ų | 83 | 121.9 Ų | 121.9 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -101.8 | 151 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 37 | S | 31.5 | Very low | 34 | Very low | 118 Ų | 118 | 118.5 Ų | 118.5 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -147.1 | 145 | 163.7 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 38 | N | 39.2 | Very low | 35 | Very low | 155 Ų | 155 | 115 Ų | 115 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -76.5 | 157.7 | 174 | -63 | -17.8 | 0 | 0 | 0 | 110.6 | ||||
| 39 | G | 30.9 | Very low | 35.7 | Very low | 78 Ų | 78 | 112.9 Ų | 112.9 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -172.2 | 77.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 40 | D | 35.3 | Very low | 36.7 | Very low | 149 Ų | 149 | 111.2 Ų | 111.2 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | -70.9 | 130.9 | 170.8 | -61.7 | -81.6 | 0 | 0 | 0 | 110.9 | ||||
| 41 | T | 34.2 | Very low | 38 | Very low | 122 Ų | 122 | 112 Ų | 112 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | -178.6 | 138.5 | 128.2 | 19.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 42 | N | 35.5 | Very low | 39.2 | Very low | 154 Ų | 154 | 111.6 Ų | 111.6 | 82% | 0.824 | 71% | 0.709 | S | S | * | * | trans | 46.3 | 82.8 | 143.1 | -53.9 | -9.5 | 0 | 0 | 0 | 119.3 | ||||
| 43 | G | 35 | Very low | 40.8 | Very low | 71 Ų | 71 | 112.7 Ų | 112.7 | 73% | 0.732 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 133.1 | 148.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | I45 | G43-I45 PolarHBondContact O-N 2.87Š|
| 44 | E | 39.5 | Very low | 42.3 | Very low | 200 Ų | 200 | 109.1 Ų | 109.1 | 94% | 0.935 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 122.4 | 173.6 | -71.5 | -162.7 | 96.5 | 0 | 0 | 111 | S46 | E44-S46 PolarHBondContact O-N 2.93Š|
| 45 | I | 45 | Very low | 43.8 | Very low | 112 Ų | 112 | 104.1 Ų | 104.1 | 57% | 0.574 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 117.1 | -177.2 | -56.3 | 170.6 | 0 | 0 | 0 | 108.8 | G43 E49 A50 L53 | G43-I45 PolarHBondContact O-N 2.87Å; I45-E49 HydrophobicContact CG2-CB 3.85Å; I45-A50 HydrophobicContact CG2-CB 4.08Å; I45-L53 HydrophobicContact CG2-CD1 4.39Å |
| 46 | S | 44.1 | Very low | 45.7 | Very low | 65 Ų | 65 | 106 Ų | 106 | 46% | 0.455 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -61 | 145.1 | 179.5 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | E44 G48 E49 A50 | E44-S46 PolarHBondContact O-N 2.93Å; S46-G48 PolarHBondContact O-N 3.33Å; S46-E49 CarbonylContact O-C 3.05Å; S46-E49 WeakPolarHBondContact O-CA 3.49Å; S46-E49 WeakPolarHBondContact O-CB 3.33Å; S46-E49 PolarHBondContact O-N 2.86Å; S46-A50 PolarHBondContact O-N 3.22Å |
| 47 | P | 48.9 | Very low | 47.4 | Very low | 105 Ų | 105 | 108.3 Ų | 108.3 | 68% | 0.682 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -55.4 | -29.3 | -178.4 | -28.6 | 35.8 | 0 | 0 | 0 | 114.7 | V51 | P47-V51 WeakPolarHBondContact O-CG2 3.4Å; P47-V51 PolarHBondContact O-N 3.16Å |
| 48 | G | 49.3 | Very low | 48.6 | Very low | 51 Ų | 51 | 105.6 Ų | 105.6 | 53% | 0.526 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -70.5 | -38 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S46 S52 | S46-G48 PolarHBondContact O-N 3.33Å; G48-S52 WeakPolarHBondContact O-CB 3.41Å; G48-S52 PolarHBondContact O-N 3.46Å |
| 49 | E | 45.4 | Very low | 50 | Low | 114 Ų | 114 | 102.9 Ų | 102.9 | 53% | 0.533 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -72.6 | -38.1 | 175.4 | -67.1 | -175.6 | 124.8 | 0 | 0 | 111.6 | I45 S46 V51 S52 L53 | I45-E49 HydrophobicContact CG2-CB 3.85Å; S46-E49 CarbonylContact O-C 3.05Å; S46-E49 WeakPolarHBondContact O-CA 3.49Å; S46-E49 WeakPolarHBondContact O-CB 3.33Å; S46-E49 PolarHBondContact O-N 2.86Å; E49-V51 VanDerWaalsContact C-N 3.31Å; E49-V51 PolarHBondContact O-N 3.3Å; E49-S52 CarbonylContact O-C 3.49Å; E49-S52 PolarHBondContact O-N 2.88Å; E49-S52 VanDerWaalsContact O-N 3.1Å; E49-L53 WeakPolarHBondContact O-CB 3.39Å; E49-L53 PolarHBondContact O-N 3.25Å |
| 50 | A | 49.7 | Very low | 51.7 | Low | 44 Ų | 44 | 103.9 Ų | 103.9 | 36% | 0.364 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -58.8 | -42.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I45 S46 Q54 | I45-A50 HydrophobicContact CG2-CB 4.08Å; S46-A50 PolarHBondContact O-N 3.22Å; A50-Q54 WeakPolarHBondContact O-CB 3.37Å; A50-Q54 PolarHBondContact O-N 3.28Å |
| 51 | V | 56.1 | Low | 53 | Low | 100 Ų | 100 | 99.3 Ų | 99.3 | 61% | 0.606 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.5 | -37.8 | 173.6 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | P47 E49 Q54 A55 | P47-V51 WeakPolarHBondContact O-CG2 3.4Å; P47-V51 PolarHBondContact O-N 3.16Å; E49-V51 VanDerWaalsContact C-N 3.31Å; E49-V51 PolarHBondContact O-N 3.3Å; V51-Q54 PolarHBondContact O-N 2.78Å; V51-A55 VanDerWaalsContact O-CB 3.3Å; V51-A55 WeakPolarHBondContact O-CB 3.23Å; V51-A55 PolarHBondContact O-N 3Å |
| 52 | S | 53.8 | Low | 54.1 | Low | 78 Ų | 78 | 95.8 Ų | 95.8 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.1 | -43.1 | 176.6 | -164 | 0 | 0 | 0 | 0 | 112.7 | G48 E49 A55 E56 | G48-S52 WeakPolarHBondContact O-CB 3.41Å; G48-S52 PolarHBondContact O-N 3.46Å; E49-S52 CarbonylContact O-C 3.49Å; E49-S52 PolarHBondContact O-N 2.88Å; E49-S52 VanDerWaalsContact O-N 3.1Å; S52-A55 PolarHBondContact O-N 3.33Å; S52-E56 WeakPolarHBondContact O-CB 3.35Å; S52-E56 PolarHBondContact O-N 2.89Å |
| 53 | L | 61.6 | Low | 55.5 | Low | 103 Ų | 103 | 96.3 Ų | 96.3 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.7 | -45.6 | 172.1 | -102.6 | 126.1 | 0 | 0 | 0 | 111 | I45 E49 A55 E56 Q57 | I45-L53 HydrophobicContact CG2-CD1 4.39Å; E49-L53 WeakPolarHBondContact O-CB 3.39Å; E49-L53 PolarHBondContact O-N 3.25Å; L53-A55 VanDerWaalsContact C-N 3.33Å; L53-A55 PolarHBondContact O-N 2.61Å; L53-E56 PolarHBondContact O-N 2.79Å; L53-Q57 WeakPolarHBondContact O-CB 3.08Å; L53-Q57 PolarHBondContact O-N 3.29Å |
| 54 | Q | 63.3 | Low | 56.9 | Low | 141 Ų | 141 | 99.1 Ų | 99.1 | 66% | 0.659 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.3 | -32.2 | 179.6 | -165.4 | 162.4 | 26.6 | 0 | 0 | 112.3 | A50 V51 A58 | A50-Q54 WeakPolarHBondContact O-CB 3.37Å; A50-Q54 PolarHBondContact O-N 3.28Å; V51-Q54 PolarHBondContact O-N 2.78Å; Q54-A58 VanDerWaalsContact O-CB 3.23Å; Q54-A58 WeakPolarHBondContact O-CB 3.3Å; Q54-A58 PolarHBondContact O-N 3.13Å |
| 55 | A | 62.8 | Low | 57.9 | Low | 61 Ų | 61 | 96.1 Ų | 96.1 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.9 | -42 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V51 S52 L53 A58 L59 | V51-A55 VanDerWaalsContact O-CB 3.3Å; V51-A55 WeakPolarHBondContact O-CB 3.23Å; V51-A55 PolarHBondContact O-N 3Å; S52-A55 PolarHBondContact O-N 3.33Å; L53-A55 VanDerWaalsContact C-N 3.33Å; L53-A55 PolarHBondContact O-N 2.61Å; A55-A58 PolarHBondContact O-N 2.64Å; A55-L59 WeakPolarHBondContact O-CB 3.47Å; A55-L59 PolarHBondContact O-N 3.44Å |
| 56 | E | 67.6 | Low | 58.8 | Low | 121 Ų | 121 | 96.3 Ų | 96.3 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.3 | -37.4 | 178.1 | -172.8 | 154.1 | 112.9 | 0 | 0 | 112.3 | S52 L53 L59 Q60 | S52-E56 WeakPolarHBondContact O-CB 3.35Å; S52-E56 PolarHBondContact O-N 2.89Å; L53-E56 PolarHBondContact O-N 2.79Å; E56-L59 CarbonylContact O-C 3.5Å; E56-L59 WeakPolarHBondContact O-CB 3.45Å; E56-L59 PolarHBondContact O-N 3.29Å; E56-L59 VanDerWaalsContact O-N 3.16Å; E56-Q60 WeakPolarHBondContact O-CG 3.47Å; E56-Q60 PolarHBondContact O-N 3.31Å |
| 57 | Q | 67.2 | Low | 59.7 | Low | 133 Ų | 133 | 99 Ų | 99 | 62% | 0.621 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.7 | -38.5 | 173.2 | -166.6 | 176.4 | 40.2 | 0 | 0 | 111.2 | L53 L59 Q60 A61 | L53-Q57 WeakPolarHBondContact O-CB 3.08Å; L53-Q57 PolarHBondContact O-N 3.29Å; Q57-L59 VanDerWaalsContact C-N 3.35Å; Q57-Q60 PolarHBondContact O-N 3.23Å; Q57-A61 WeakPolarHBondContact O-CB 3.45Å; Q57-A61 PolarHBondContact O-N 2.86Å |
| 58 | A | 56.6 | Low | 60.2 | Low | 61 Ų | 61 | 100.4 Ų | 100.4 | 50% | 0.504 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q54 A55 A61 A62 | Q54-A58 VanDerWaalsContact O-CB 3.23Å; Q54-A58 WeakPolarHBondContact O-CB 3.3Å; Q54-A58 PolarHBondContact O-N 3.13Å; A55-A58 PolarHBondContact O-N 2.64Å; A58-A61 PolarHBondContact O-N 2.71Å; A58-A62 WeakPolarHBondContact O-CB 3.38Å; A58-A62 PolarHBondContact O-N 3.18Å |
| 59 | L | 67.6 | Low | 60.3 | Low | 97 Ų | 97 | 103.9 Ų | 103.9 | 51% | 0.508 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.5 | -35.2 | 175.9 | -171.1 | 63.6 | 0 | 0 | 0 | 112.4 | A55 E56 Q57 R63 | A55-L59 WeakPolarHBondContact O-CB 3.47Å; A55-L59 PolarHBondContact O-N 3.44Å; E56-L59 CarbonylContact O-C 3.5Å; E56-L59 WeakPolarHBondContact O-CB 3.45Å; E56-L59 PolarHBondContact O-N 3.29Å; E56-L59 VanDerWaalsContact O-N 3.16Å; Q57-L59 VanDerWaalsContact C-N 3.35Å; L59-R63 WeakPolarHBondContact O-CG 3.27Å; L59-R63 PolarHBondContact O-N 3.25Å |
| 60 | Q | 67.3 | Low | 60.4 | Low | 100 Ų | 100 | 102.4 Ų | 102.4 | 47% | 0.467 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.5 | -43.9 | 170.7 | -73.4 | -172 | 9.8 | 0 | 0 | 111.4 | E56 Q57 A62 R63 Q64 | E56-Q60 WeakPolarHBondContact O-CG 3.47Å; E56-Q60 PolarHBondContact O-N 3.31Å; Q57-Q60 PolarHBondContact O-N 3.23Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 3.12Å; Q60-R63 WeakPolarHBondContact O-CB 3.3Å; Q60-R63 PolarHBondContact O-N 3.47Å; Q60-R63 VanDerWaalsContact O-N 3.16Å; Q60-Q64 WeakPolarHBondContact O-CG 3.21Å; Q60-Q64 PolarHBondContact O-N 3.26Å |
| 61 | A | 63.2 | Low | 60.3 | Low | 53 Ų | 53 | 103.5 Ų | 103.5 | 44% | 0.438 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.5 | -41.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q57 A58 R63 Q64 F65 | Q57-A61 WeakPolarHBondContact O-CB 3.45Å; Q57-A61 PolarHBondContact O-N 2.86Å; A58-A61 PolarHBondContact O-N 2.71Å; A61-R63 PolarHBondContact O-N 3.07Å; A61-Q64 PolarHBondContact O-N 2.9Å; A61-F65 WeakPolarHBondContact O-CB 3.43Å; A61-F65 PolarHBondContact O-N 2.92Å |
| 62 | A | 57.2 | Low | 59.7 | Low | 48 Ų | 48 | 101.6 Ų | 101.6 | 40% | 0.397 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.2 | -38.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A58 Q60 L66 | A58-A62 WeakPolarHBondContact O-CB 3.38Å; A58-A62 PolarHBondContact O-N 3.18Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 3.12Å; A62-L66 WeakPolarHBondContact O-CG 3.45Å; A62-L66 PolarHBondContact O-N 3.14Å |
| 63 | R | 64.1 | Low | 59.2 | Low | 165 Ų | 165 | 105.3 Ų | 105.3 | 62% | 0.623 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.2 | -44.1 | 172.5 | -79.5 | 175.4 | 169.3 | 169.1 | -1.6 | 112.2 | L59 Q60 A61 L66 L67 | L59-R63 WeakPolarHBondContact O-CG 3.27Å; L59-R63 PolarHBondContact O-N 3.25Å; Q60-R63 WeakPolarHBondContact O-CB 3.3Å; Q60-R63 PolarHBondContact O-N 3.47Å; Q60-R63 VanDerWaalsContact O-N 3.16Å; A61-R63 PolarHBondContact O-N 3.07Å; R63-L66 PolarHBondContact O-N 3.15Å; R63-L67 WeakPolarHBondContact O-CG 3.46Å; R63-L67 PolarHBondContact O-N 2.86Å |
| 64 | Q | 64.2 | Low | 58 | Low | 129 Ų | 129 | 108.2 Ų | 108.2 | 60% | 0.603 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.6 | -41.9 | 176 | -72.3 | 177.2 | 3.2 | 0 | 0 | 111.3 | Q60 A61 L66 L67 Q68 | Q60-Q64 WeakPolarHBondContact O-CG 3.21Å; Q60-Q64 PolarHBondContact O-N 3.26Å; A61-Q64 PolarHBondContact O-N 2.9Å; Q64-L66 PolarHBondContact O-N 2.8Å; Q64-L67 PolarHBondContact O-N 2.94Å; Q64-Q68 WeakPolarHBondContact O-CB 3.38Å; Q64-Q68 PolarHBondContact O-N 3.47Å |
| 65 | F | 61.2 | Low | 56.5 | Low | 138 Ų | 138 | 106.9 Ų | 106.9 | 61% | 0.605 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.8 | -37 | 176.3 | -171.1 | -104.9 | 0 | 0 | 0 | 113.1 | A61 Q68 Q69 | A61-F65 WeakPolarHBondContact O-CB 3.43Å; A61-F65 PolarHBondContact O-N 2.92Å; F65-Q68 PolarHBondContact O-N 3.29Å; F65-Q69 PolarHBondContact O-N 3.5Å; F65-Q69 VanDerWaalsContact O-N 3.1Å |
| 66 | L | 63.3 | Low | 55.4 | Low | 116 Ų | 116 | 110.3 Ų | 110.3 | 61% | 0.607 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.9 | -41 | 172.4 | -80.9 | 165.6 | 0 | 0 | 0 | 112.5 | A62 R63 Q64 Q68 Q69 A70 | A62-L66 WeakPolarHBondContact O-CG 3.45Å; A62-L66 PolarHBondContact O-N 3.14Å; R63-L66 PolarHBondContact O-N 3.15Å; Q64-L66 PolarHBondContact O-N 2.8Å; L66-Q68 VanDerWaalsContact C-N 3.33Å; L66-Q69 PolarHBondContact O-N 2.89Å; L66-A70 PolarHBondContact O-N 3.44Å; L66-A70 VanDerWaalsContact O-N 3.08Å |
| 67 | L | 64.3 | Low | 53.6 | Low | 122 Ų | 122 | 107.9 Ų | 107.9 | 64% | 0.639 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.3 | -36.7 | 173.4 | -71.5 | 166.8 | 0 | 0 | 0 | 111.6 | R63 Q64 A70 S71 | R63-L67 WeakPolarHBondContact O-CG 3.46Å; R63-L67 PolarHBondContact O-N 2.86Å; Q64-L67 PolarHBondContact O-N 2.94Å; L67-A70 WeakPolarHBondContact O-CB 3.37Å; L67-A70 PolarHBondContact O-N 3.4Å; L67-S71 PolarHBondContact O-N 2.98Å |
| 68 | Q | 57.9 | Low | 51.9 | Low | 134 Ų | 134 | 106.9 Ų | 106.9 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.8 | -42.4 | 176.5 | -159.1 | 79.3 | 90.2 | 0 | 0 | 111.3 | Q64 F65 L66 A70 S71 G72 | Q64-Q68 WeakPolarHBondContact O-CB 3.38Å; Q64-Q68 PolarHBondContact O-N 3.47Å; F65-Q68 PolarHBondContact O-N 3.29Å; L66-Q68 VanDerWaalsContact C-N 3.33Å; Q68-A70 PolarHBondContact O-N 2.9Å; Q68-S71 WeakPolarHBondContact CA-OG 3.37Å; Q68-S71 PolarHBondContact NE2-OG 3.2Å; Q68-S71 PolarHBondContact O-N 3.28Å; Q68-S71 PolarHBondContact O-OG 3.42Å; Q68-G72 PolarHBondContact O-N 3.44Å |
| 69 | Q | 51.3 | Low | 50.7 | Low | 124 Ų | 124 | 111.2 Ų | 111.2 | 58% | 0.579 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -63.7 | -37.9 | 172.6 | -77.1 | -175.5 | 77.3 | 0 | 0 | 112.6 | F65 L66 S71 G72 | F65-Q69 PolarHBondContact O-N 3.5Å; F65-Q69 VanDerWaalsContact O-N 3.1Å; L66-Q69 PolarHBondContact O-N 2.89Å; Q69-S71 VanDerWaalsContact C-N 3.28Å; Q69-S71 PolarHBondContact O-N 3.06Å; Q69-G72 PolarHBondContact O-N 2.8Å |
| 70 | A | 48.6 | Very low | 49.2 | Very low | 82 Ų | 82 | 115.3 Ų | 115.3 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.6 | -30.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L66 L67 Q68 G72 | L66-A70 PolarHBondContact O-N 3.44Å; L66-A70 VanDerWaalsContact O-N 3.08Å; L67-A70 WeakPolarHBondContact O-CB 3.37Å; L67-A70 PolarHBondContact O-N 3.4Å; Q68-A70 PolarHBondContact O-N 2.9Å; A70-G72 VanDerWaalsContact C-N 3.31Å |
| 71 | S | 46.6 | Very low | 47.6 | Very low | 68 Ų | 68 | 116 Ų | 116 | 48% | 0.476 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.2 | -8.1 | 174.7 | 66.9 | 0 | 0 | 0 | 0 | 114.8 | L67 Q68 Q69 L73 | L67-S71 PolarHBondContact O-N 2.98Å; Q68-S71 WeakPolarHBondContact CA-OG 3.37Å; Q68-S71 PolarHBondContact NE2-OG 3.2Å; Q68-S71 PolarHBondContact O-N 3.28Å; Q68-S71 PolarHBondContact O-OG 3.42Å; Q69-S71 VanDerWaalsContact C-N 3.28Å; Q69-S71 PolarHBondContact O-N 3.06Å; S71-L73 PolarHBondContact O-N 3.41Å |
| 72 | G | 44.3 | Very low | 46.3 | Very low | 59 Ų | 59 | 122.7 Ų | 122.7 | 61% | 0.608 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -3.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q68 Q69 A70 | Q68-G72 PolarHBondContact O-N 3.44Å; Q69-G72 PolarHBondContact O-N 2.8Å; A70-G72 VanDerWaalsContact C-N 3.31Å |
| 73 | L | 42.8 | Very low | 45 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 82% | 0.817 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -124.2 | 62.5 | -178.8 | -68.2 | 179.1 | 0 | 0 | 0 | 112.3 | S71 | S71-L73 PolarHBondContact O-N 3.41Š|
| 74 | N | 37 | Very low | 43.3 | Very low | 164 Ų | 164 | 127.1 Ų | 127.1 | 88% | 0.877 | 72% | 0.722 | S | S | * | * | trans | -152.2 | 134.4 | 157.7 | -94.1 | -58.8 | 0 | 0 | 0 | 110.6 | ||||
| 75 | S | 31 | Very low | 42 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | trans | -133.5 | 142.4 | 171.9 | -158.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 76 | P | 39.4 | Very low | 40.4 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | trans | -82.3 | 146.5 | -156.2 | 31.3 | -36.1 | 0 | 0 | 0 | 114.6 | ||||
| 77 | G | 29.8 | Very low | 38.8 | Very low | 71 Ų | 71 | 130.2 Ų | 130.2 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | trans | -169.5 | 64.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 78 | S | 31.1 | Very low | 37.1 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | 60.8 | 110.8 | 153 | -53.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 79 | N | 32.6 | Very low | 36.1 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | 72 | 93.5 | 136.9 | -60.1 | 4.7 | 0 | 0 | 0 | 122.5 | ||||
| 80 | E | 36.4 | Very low | 35.5 | Very low | 184 Ų | 184 | 130.7 Ų | 130.7 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | 87.7 | 157.2 | 122.9 | -128.9 | -168.1 | 120.7 | 0 | 0 | 122.6 | |||||
| 81 | V | 33.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 132 Ų | 132 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | 75.8 | 73.3 | 169.6 | -158.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 82 | K | 35.7 | Very low | 34.5 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | 53.6 | 94.5 | 115.1 | -169.9 | -176.6 | -176.6 | 177.8 | 0 | 119.1 | |||||
| 83 | Q | 29.9 | Very low | 34.2 | Very low | 199 Ų | 199 | 139.6 Ų | 139.6 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | -160.6 | 165 | 152.4 | -125.1 | 165.2 | 87.7 | 0 | 0 | 114.6 | ||||
| 84 | S | 27.4 | Very low | 33.7 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -161.1 | 165.6 | 177.5 | 63.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 85 | P | 37.2 | Very low | 33.7 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | cis | -126.2 | 144.2 | -35.3 | 34.9 | -21.2 | 0 | 0 | 0 | 112.2 | ||||
| 86 | V | 27.6 | Very low | 34.3 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -132.3 | 153.9 | 175.1 | -177 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 87 | Q | 29.6 | Very low | 34.4 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -63.4 | 152.7 | -166.6 | -58 | 161.9 | 8.3 | 0 | 0 | 114.9 | ||||
| 88 | V | 29.9 | Very low | 34.7 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | trans | -119.3 | 123.4 | 169.5 | -179.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 89 | P | 36.8 | Very low | 35.2 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 74% | 0.74 | 83% | 0.825 | S | S | * | * | trans | -79.9 | 140.7 | 176.3 | -12.4 | 28.9 | 0 | 0 | 0 | 113.2 | ||||
| 90 | V | 38.2 | Very low | 35.9 | Very low | 144 Ų | 144 | 147 Ų | 147 | 87% | 0.873 | 81% | 0.813 | S | S | * | * | trans | -100.1 | 99.8 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 91 | S | 34.5 | Very low | 36.9 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -146.4 | 67.8 | -177 | -70 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 92 | M | 39.5 | Very low | 37.8 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 97% | 0.97 | 79% | 0.792 | S | S | * | * | trans | -142.6 | 75.4 | 162.8 | -86 | -157.9 | 168.9 | 0 | 0 | 112.3 | ||||
| 93 | A | 37.4 | Very low | 38.5 | Very low | 89 Ų | 89 | 139.5 Ų | 139.5 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -164.3 | 84.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 94 | M | 33.8 | Very low | 39.6 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 82% | 0.823 | 77% | 0.765 | S | S | * | * | trans | -169.4 | 95.2 | 153 | -84.2 | -40.8 | 166.5 | 0 | 0 | 109.8 | ||||
| 95 | M | 37.1 | Very low | 40.6 | Very low | 187 Ų | 187 | 133.7 Ų | 133.7 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | trans | -133.3 | 135.3 | 167.5 | -63.8 | -83.2 | 119 | 0 | 0 | 107.1 | ||||
| 96 | S | 42.2 | Very low | 41.3 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | -79.5 | 149.1 | -177.6 | 42.7 | 0 | 0 | 0 | 0 | 112.2 | Q98 | S96-Q98 PolarHBondContact O-N 3.31Å; S96-Q98 VanDerWaalsContact O-N 3.08Å | ||
| 97 | P | 43.1 | Very low | 42.5 | Very low | 133 Ų | 133 | 136 Ų | 136 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | -74 | 103.3 | -178.2 | 29.7 | -34.1 | 0 | 0 | 0 | 111 | ||||
| 98 | Q | 34.4 | Very low | 43.5 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | trans | -76.6 | 156.8 | 158.6 | -65 | -170.2 | 5.6 | 0 | 0 | 109.9 | S96 I100 | S96-Q98 PolarHBondContact O-N 3.31Å; S96-Q98 VanDerWaalsContact O-N 3.08Å; Q98-I100 VanDerWaalsContact C-N 3.32Å; Q98-I100 PolarHBondContact O-N 2.8Å | ||
| 99 | M | 42.9 | Very low | 44.7 | Very low | 190 Ų | 190 | 128.3 Ų | 128.3 | 94% | 0.936 | 70% | 0.699 | S | S | * | * | trans | -71.3 | 81.5 | -177.7 | -71.8 | -82.8 | -74.9 | 0 | 0 | 111.3 | T101 | M99-T101 PolarHBondContact O-N 2.71Š| ||
| 100 | I | 47.5 | Very low | 46.1 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 54% | 0.544 | 68% | 0.68 | S | S | . | * | trans | -61.9 | 118.9 | 173.4 | -68.9 | 172.2 | 0 | 0 | 0 | 108.9 | Q98 Q104 M105 | Q98-I100 VanDerWaalsContact C-N 3.32Å; Q98-I100 PolarHBondContact O-N 2.8Å; I100-Q104 HydrophobicContact CG2-CB 3.89Å; I100-M105 HydrophobicContact CG2-CB 4.36Å | ||
| 101 | T | 57.6 | Low | 47.4 | Very low | 73 Ų | 73 | 123.3 Ų | 123.3 | 45% | 0.448 | 67% | 0.671 | S | S | . | * | trans | -71 | 151.1 | 175.1 | 52.2 | 0 | 0 | 0 | 0 | 110.6 | M99 Q103 Q104 M105 | M99-T101 PolarHBondContact O-N 2.71Å; T101-Q103 PolarHBondContact O-N 2.79Å; T101-Q104 PolarHBondContact O-N 2.8Å; T101-M105 PolarHBondContact O-N 2.85Å | ||
| 102 | P | 51.3 | Low | 48.6 | Very low | 104 Ų | 104 | 122.5 Ų | 122.5 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -63.5 | -10.8 | -176.2 | 24.7 | -34.9 | 0 | 0 | 0 | 114.4 | Q106 | P102-Q106 PolarHBondContact O-NE2 2.73Å |
| 103 | Q | 51.6 | Low | 49.5 | Very low | 157 Ų | 157 | 118.2 Ų | 118.2 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -80.7 | -38.2 | 171.4 | -71.5 | 171.3 | -30.4 | 0 | 0 | 112.4 | T101 Q106 | T101-Q103 PolarHBondContact O-N 2.79Å; Q103-Q106 PolarHBondContact O-N 3.37Å |
| 104 | Q | 51.3 | Low | 50.9 | Low | 101 Ų | 101 | 117.9 Ų | 117.9 | 47% | 0.472 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.5 | -34.5 | 174.1 | -87.2 | -174.4 | -30.7 | 0 | 0 | 112.3 | I100 T101 Q106 Q107 I108 | I100-Q104 HydrophobicContact CG2-CB 3.89Å; T101-Q104 PolarHBondContact O-N 2.8Å; Q104-Q106 PolarHBondContact O-N 3.5Å; Q104-Q107 PolarHBondContact O-N 2.84Å; Q104-I108 HydrophobicContact CB-CD1 4.47Å; Q104-I108 WeakPolarHBondContact O-CG1 3.37Å; Q104-I108 PolarHBondContact O-N 2.86Å |
| 105 | M | 48.9 | Very low | 52.7 | Low | 83 Ų | 83 | 116.4 Ų | 116.4 | 41% | 0.409 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -58.9 | -31.9 | 178.1 | -165.5 | 174.3 | -168.8 | 0 | 0 | 112.8 | I100 T101 Q107 I108 L109 L117 | I100-M105 HydrophobicContact CG2-CB 4.36Å; T101-M105 PolarHBondContact O-N 2.85Å; M105-Q107 VanDerWaalsContact C-N 3.33Å; M105-Q107 PolarHBondContact O-N 3.37Å; M105-I108 PolarHBondContact O-N 2.66Å; M105-L109 HydrophobicContact CE-CD1 4.34Å; M105-L109 HydrophobicContact CE-CD2 4.15Å; M105-L109 HydrophobicContact CG-CD1 4.01Å; M105-L109 PolarHBondContact O-N 3.14Å; M105-L117 HydrophobicContact CE-CD2 3.52Å |
| 106 | Q | 53.3 | Low | 54.1 | Low | 137 Ų | 137 | 110.3 Ų | 110.3 | 64% | 0.64 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.4 | -13.1 | 178.2 | -73.4 | 170.7 | 80.2 | 0 | 0 | 114.3 | P102 Q103 Q104 | P102-Q106 PolarHBondContact O-NE2 2.73Å; Q103-Q106 PolarHBondContact O-N 3.37Å; Q104-Q106 PolarHBondContact O-N 3.5Å |
| 107 | Q | 51 | Low | 55.6 | Low | 173 Ų | 173 | 108.5 Ų | 108.5 | 81% | 0.808 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -97.3 | -16.2 | 173.1 | -74.3 | -173 | -26.8 | 0 | 0 | 113.4 | Q104 M105 | Q104-Q107 PolarHBondContact O-N 2.84Å; M105-Q107 VanDerWaalsContact C-N 3.33Å; M105-Q107 PolarHBondContact O-N 3.37Å |
| 108 | I | 51.8 | Low | 57.1 | Low | 112 Ų | 112 | 106.2 Ų | 106.2 | 57% | 0.574 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -100.7 | -29.7 | -172.5 | -63.7 | 168.4 | 0 | 0 | 0 | 112.2 | Q104 M105 | Q104-I108 HydrophobicContact CB-CD1 4.47Å; Q104-I108 WeakPolarHBondContact O-CG1 3.37Å; Q104-I108 PolarHBondContact O-N 2.86Å; M105-I108 PolarHBondContact O-N 2.66Å |
| 109 | L | 53.8 | Low | 59.1 | Low | 44 Ų | 44 | 103.2 Ų | 103.2 | 23% | 0.23 | 54% | 0.544 | C | S | . | . | S | Bend | trans | -91.1 | 125.6 | 174.4 | -82 | 69.8 | 0 | 0 | 0 | 110.1 | M105 Q113 L117 | M105-L109 HydrophobicContact CE-CD1 4.34Å; M105-L109 HydrophobicContact CE-CD2 4.15Å; M105-L109 HydrophobicContact CG-CD1 4.01Å; M105-L109 PolarHBondContact O-N 3.14Å; L109-Q113 HydrophobicContact CB-CB 4.1Å; L109-Q113 HydrophobicContact CD2-CB 4.31Å; L109-Q113 HydrophobicContact CG-CB 4.16Å; L109-L117 HydrophobicContact CD2-CD2 4.1Å |
| 110 | S | 67.8 | Low | 60.6 | Low | 48 Ų | 48 | 99.9 Ų | 99.9 | 34% | 0.336 | 53% | 0.527 | S | S | . | . | trans | -61 | 153.7 | 168.1 | 63.4 | 0 | 0 | 0 | 0 | 111 | P112 Q113 L114 | S110-P112 VanDerWaalsContact C-CD 3.49Å; S110-Q113 WeakPolarHBondContact O-CA 3.42Å; S110-Q113 WeakPolarHBondContact O-CB 3.42Å; S110-Q113 PolarHBondContact O-N 3.48Å; S110-Q113 WeakPolarHBondContact OG-CG 3.4Å; S110-Q113 PolarHBondContact OG-OE1 3.28Å; S110-L114 PolarHBondContact O-N 3.07Å | ||
| 111 | P | 64.6 | Low | 61.6 | Low | 106 Ų | 106 | 100.3 Ų | 100.3 | 69% | 0.688 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -46.9 | -44.9 | 178.7 | -29.1 | 35.4 | 0 | 0 | 0 | 115.6 | Q113 L114 Q115 | P111-Q113 PolarHBondContact O-N 2.87Å; P111-L114 PolarHBondContact O-N 3.28Å; P111-Q115 PolarHBondContact O-N 3.15Å |
| 112 | P | 59.1 | Low | 61.9 | Low | 92 Ų | 92 | 100.7 Ų | 100.7 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68 | -29 | 175.7 | 26.3 | -35.1 | 0 | 0 | 0 | 113.9 | S110 A116 | S110-P112 VanDerWaalsContact C-CD 3.49Å; P112-A116 VanDerWaalsContact O-CB 3.26Å; P112-A116 WeakPolarHBondContact O-CB 3.33Å; P112-A116 PolarHBondContact O-N 3.48Å |
| 113 | Q | 58.8 | Low | 62.5 | Low | 108 Ų | 108 | 98.3 Ų | 98.3 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.5 | -39.5 | 173.5 | -72 | 167.8 | -56.9 | 0 | 0 | 111.6 | L109 S110 P111 A116 L117 | L109-Q113 HydrophobicContact CB-CB 4.1Å; L109-Q113 HydrophobicContact CD2-CB 4.31Å; L109-Q113 HydrophobicContact CG-CB 4.16Å; S110-Q113 WeakPolarHBondContact O-CA 3.42Å; S110-Q113 WeakPolarHBondContact O-CB 3.42Å; S110-Q113 PolarHBondContact O-N 3.48Å; S110-Q113 WeakPolarHBondContact OG-CG 3.4Å; S110-Q113 PolarHBondContact OG-OE1 3.28Å; P111-Q113 PolarHBondContact O-N 2.87Å; Q113-A116 PolarHBondContact O-N 3.22Å; Q113-L117 WeakPolarHBondContact O-CB 3.38Å; Q113-L117 PolarHBondContact O-N 2.96Å |
| 114 | L | 66.4 | Low | 63.2 | Low | 81 Ų | 81 | 95.3 Ų | 95.3 | 42% | 0.424 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 174.6 | -175.5 | 62.7 | 0 | 0 | 0 | 111.1 | S110 P111 L117 L118 | S110-L114 PolarHBondContact O-N 3.07Å; P111-L114 PolarHBondContact O-N 3.28Å; L114-L117 PolarHBondContact O-N 3.41Å; L114-L118 PolarHBondContact O-N 2.88Å |
| 115 | Q | 71.6 | Confident | 64.1 | Low | 136 Ų | 136 | 93.5 Ų | 93.5 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.4 | -37.4 | 176.3 | -170.1 | 152 | 1.6 | 0 | 0 | 112.5 | P111 L117 L118 Q119 | P111-Q115 PolarHBondContact O-N 3.15Å; Q115-L117 VanDerWaalsContact C-N 3.35Å; Q115-L117 PolarHBondContact O-N 3.34Å; Q115-L118 PolarHBondContact O-N 3.36Å; Q115-Q119 VanDerWaalsContact O-CB 3.29Å; Q115-Q119 WeakPolarHBondContact O-CB 3.38Å; Q115-Q119 PolarHBondContact O-N 3.05Å |
| 116 | A | 68.3 | Low | 64.9 | Low | 60 Ų | 60 | 93.7 Ų | 93.7 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P112 Q113 Q119 Q120 | P112-A116 VanDerWaalsContact O-CB 3.26Å; P112-A116 WeakPolarHBondContact O-CB 3.33Å; P112-A116 PolarHBondContact O-N 3.48Å; Q113-A116 PolarHBondContact O-N 3.22Å; A116-Q119 PolarHBondContact O-N 3.4Å; A116-Q120 WeakPolarHBondContact O-CB 3.21Å; A116-Q120 PolarHBondContact O-N 3.13Å |
| 117 | L | 72.4 | Confident | 65.7 | Low | 65 Ų | 65 | 93.5 Ų | 93.5 | 34% | 0.34 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 175.2 | -175.4 | 65.4 | 0 | 0 | 0 | 111.9 | M105 L109 Q113 L114 Q115 Q120 Q121 | M105-L117 HydrophobicContact CE-CD2 3.52Å; L109-L117 HydrophobicContact CD2-CD2 4.1Å; Q113-L117 WeakPolarHBondContact O-CB 3.38Å; Q113-L117 PolarHBondContact O-N 2.96Å; L114-L117 PolarHBondContact O-N 3.41Å; Q115-L117 VanDerWaalsContact C-N 3.35Å; Q115-L117 PolarHBondContact O-N 3.34Å; L117-Q120 PolarHBondContact O-N 2.98Å; L117-Q121 PolarHBondContact O-N 3.27Å |
| 118 | L | 75.3 | Confident | 66.4 | Low | 84 Ų | 84 | 92.9 Ų | 92.9 | 44% | 0.44 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 174.5 | -169.5 | 70.2 | 0 | 0 | 0 | 111.4 | L114 Q115 Q120 Q121 Q122 L189 | L114-L118 PolarHBondContact O-N 2.88Å; Q115-L118 PolarHBondContact O-N 3.36Å; L118-Q120 VanDerWaalsContact C-N 3.34Å; L118-Q120 PolarHBondContact O-N 3.45Å; L118-Q121 PolarHBondContact O-N 3.45Å; L118-Q122 WeakPolarHBondContact O-CB 3.38Å; L118-Q122 PolarHBondContact O-N 3.21Å; L118-L189 HydrophobicContact CD1-CD2 4.43Å; L118-L189 HydrophobicContact CD2-CD2 4.33Å |
| 119 | Q | 76.1 | Confident | 66.8 | Low | 107 Ų | 107 | 90.1 Ų | 90.1 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 176.3 | -167.4 | 70 | 86 | 0 | 0 | 111.8 | Q115 A116 Q122 A123 | Q115-Q119 VanDerWaalsContact O-CB 3.29Å; Q115-Q119 WeakPolarHBondContact O-CB 3.38Å; Q115-Q119 PolarHBondContact O-N 3.05Å; A116-Q119 PolarHBondContact O-N 3.4Å; Q119-Q122 PolarHBondContact O-N 3.48Å; Q119-A123 WeakPolarHBondContact O-CB 3.26Å; Q119-A123 PolarHBondContact O-N 3.43Å |
| 120 | Q | 73.8 | Confident | 67 | Low | 120 Ų | 120 | 95.5 Ų | 95.5 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.1 | -43.8 | 174.7 | -176.8 | -179.1 | 100.9 | 0 | 0 | 111.7 | A116 L117 L118 Q122 A123 L124 | A116-Q120 WeakPolarHBondContact O-CB 3.21Å; A116-Q120 PolarHBondContact O-N 3.13Å; L117-Q120 PolarHBondContact O-N 2.98Å; L118-Q120 VanDerWaalsContact C-N 3.34Å; L118-Q120 PolarHBondContact O-N 3.45Å; Q120-Q122 PolarHBondContact O-N 3.14Å; Q120-A123 PolarHBondContact O-N 3.31Å; Q120-L124 HydrophobicContact CG-CD1 4.34Å; Q120-L124 WeakPolarHBondContact O-CG 3.44Å; Q120-L124 PolarHBondContact O-N 3.06Å |
| 121 | Q | 69.8 | Low | 66.8 | Low | 116 Ų | 116 | 94.9 Ų | 94.9 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.6 | -172.1 | -176.3 | 96.9 | 0 | 0 | 111.5 | L117 L118 L124 M125 | L117-Q121 PolarHBondContact O-N 3.27Å; L118-Q121 PolarHBondContact O-N 3.45Å; Q121-L124 PolarHBondContact O-N 3.25Å; Q121-M125 PolarHBondContact O-N 3.15Å |
| 122 | Q | 62.4 | Low | 66.5 | Low | 80 Ų | 80 | 96.3 Ų | 96.3 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 175.9 | -171.3 | 178.2 | 72.5 | 0 | 0 | 112 | L118 Q119 Q120 M125 L126 | L118-Q122 WeakPolarHBondContact O-CB 3.38Å; L118-Q122 PolarHBondContact O-N 3.21Å; Q119-Q122 PolarHBondContact O-N 3.48Å; Q120-Q122 PolarHBondContact O-N 3.14Å; Q122-M125 PolarHBondContact O-N 3.09Å; Q122-L126 HydrophobicContact CG-CD1 4.44Å; Q122-L126 WeakPolarHBondContact O-CG 3.41Å; Q122-L126 PolarHBondContact O-N 3.49Å |
| 123 | A | 64.2 | Low | 66.4 | Low | 55 Ų | 55 | 95.5 Ų | 95.5 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q119 Q120 L126 Q127 | Q119-A123 WeakPolarHBondContact O-CB 3.26Å; Q119-A123 PolarHBondContact O-N 3.43Å; Q120-A123 PolarHBondContact O-N 3.31Å; A123-L126 PolarHBondContact O-N 3.07Å; A123-Q127 WeakPolarHBondContact O-CB 3.43Å; A123-Q127 PolarHBondContact O-N 2.82Å |
| 124 | L | 67.2 | Low | 66.6 | Low | 93 Ų | 93 | 96.6 Ų | 96.6 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 175.8 | -71.8 | 168.1 | 0 | 0 | 0 | 112 | Q120 Q121 Q127 Q128 | Q120-L124 HydrophobicContact CG-CD1 4.34Å; Q120-L124 WeakPolarHBondContact O-CG 3.44Å; Q120-L124 PolarHBondContact O-N 3.06Å; Q121-L124 PolarHBondContact O-N 3.25Å; L124-Q127 PolarHBondContact O-N 2.89Å; L124-Q128 WeakPolarHBondContact O-CG 3.26Å; L124-Q128 PolarHBondContact O-N 2.9Å |
| 125 | M | 69.3 | Low | 66.5 | Low | 64 Ų | 64 | 98.3 Ų | 98.3 | 32% | 0.315 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 173.9 | -169.5 | -167.5 | -56.6 | 0 | 0 | 111.5 | Q121 Q122 Q127 Q128 L129 L184 | Q121-M125 PolarHBondContact O-N 3.15Å; Q122-M125 PolarHBondContact O-N 3.09Å; M125-Q127 VanDerWaalsContact C-N 3.3Å; M125-Q127 PolarHBondContact O-N 2.86Å; M125-Q128 PolarHBondContact O-N 3.34Å; M125-L129 PolarHBondContact O-N 3.25Å; M125-L184 HydrophobicContact SD-CD1 4.33Å |
| 126 | L | 66.8 | Low | 65.8 | Low | 86 Ų | 86 | 94 Ų | 94 | 45% | 0.45 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.7 | -31.4 | 176.4 | -72 | 170.2 | 0 | 0 | 0 | 112.7 | Q122 A123 K130 | Q122-L126 HydrophobicContact CG-CD1 4.44Å; Q122-L126 WeakPolarHBondContact O-CG 3.41Å; Q122-L126 PolarHBondContact O-N 3.49Å; A123-L126 PolarHBondContact O-N 3.07Å; L126-K130 WeakPolarHBondContact O-CB 3.47Å; L126-K130 VanDerWaalsContact O-CG 3.27Å; L126-K130 WeakPolarHBondContact O-CG 3.36Å; L126-K130 PolarHBondContact O-N 3.24Å |
| 127 | Q | 69.8 | Low | 65.2 | Low | 134 Ų | 134 | 99.8 Ų | 99.8 | 63% | 0.626 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69 | -42.7 | 174.3 | -169.6 | 174.9 | 12.6 | 0 | 0 | 111.7 | A123 L124 M125 K130 G131 | A123-Q127 WeakPolarHBondContact O-CB 3.43Å; A123-Q127 PolarHBondContact O-N 2.82Å; L124-Q127 PolarHBondContact O-N 2.89Å; M125-Q127 VanDerWaalsContact C-N 3.3Å; M125-Q127 PolarHBondContact O-N 2.86Å; Q127-K130 PolarHBondContact O-N 2.91Å; Q127-G131 PolarHBondContact O-N 3.09Å |
| 128 | Q | 65.9 | Low | 64.9 | Low | 160 Ų | 160 | 101.3 Ų | 101.3 | 75% | 0.748 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.2 | -45 | 173.1 | -66.9 | -120.1 | -70.4 | 0 | 0 | 111.5 | L124 M125 K130 G131 Y132 | L124-Q128 WeakPolarHBondContact O-CG 3.26Å; L124-Q128 PolarHBondContact O-N 2.9Å; M125-Q128 PolarHBondContact O-N 3.34Å; Q128-K130 VanDerWaalsContact C-N 3.35Å; Q128-K130 PolarHBondContact O-N 3.44Å; Q128-G131 WeakPolarHBondContact O-CA 3.4Å; Q128-G131 PolarHBondContact O-N 3.47Å; Q128-G131 VanDerWaalsContact O-N 3.13Å; Q128-Y132 PolarHBondContact O-N 3.38Å |
| 129 | L | 60 | Low | 64.5 | Low | 54 Ų | 54 | 103.5 Ų | 103.5 | 28% | 0.283 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 177.2 | -174.6 | 63.9 | 0 | 0 | 0 | 112.3 | M125 Y132 K133 | M125-L129 PolarHBondContact O-N 3.25Å; L129-Y132 PolarHBondContact O-N 2.93Å; L129-K133 WeakPolarHBondContact O-CB 3.43Å; L129-K133 WeakPolarHBondContact O-CG 3.46Å; L129-K133 PolarHBondContact O-N 3.41Å |
| 130 | K | 56.7 | Low | 63.7 | Low | 156 Ų | 156 | 102.1 Ų | 102.1 | 68% | 0.678 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.1 | -37.9 | 173.3 | -75.8 | 172 | -179.2 | -178.9 | 0 | 112.3 | L126 Q127 Q128 K134 | L126-K130 WeakPolarHBondContact O-CB 3.47Å; L126-K130 VanDerWaalsContact O-CG 3.27Å; L126-K130 WeakPolarHBondContact O-CG 3.36Å; L126-K130 PolarHBondContact O-N 3.24Å; Q127-K130 PolarHBondContact O-N 2.91Å; Q128-K130 VanDerWaalsContact C-N 3.35Å; Q128-K130 PolarHBondContact O-N 3.44Å; K130-K134 WeakPolarHBondContact O-CB 3.5Å; K130-K134 PolarHBondContact O-N 2.78Å |
| 131 | G | 64.6 | Low | 63.2 | Low | 36 Ų | 36 | 102.8 Ų | 102.8 | 37% | 0.371 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -55.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q127 Q128 K133 K134 E135 | Q127-G131 PolarHBondContact O-N 3.09Å; Q128-G131 WeakPolarHBondContact O-CA 3.4Å; Q128-G131 PolarHBondContact O-N 3.47Å; Q128-G131 VanDerWaalsContact O-N 3.13Å; G131-K133 PolarHBondContact O-N 3.19Å; G131-K134 WeakPolarHBondContact O-CB 3.44Å; G131-K134 PolarHBondContact O-N 3.28Å; G131-E135 PolarHBondContact O-N 3.08Å |
| 132 | Y | 58 | Low | 62.9 | Low | 136 Ų | 136 | 102 Ų | 102 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.8 | -46.6 | 178.7 | -175.8 | -105.6 | 0 | 0 | 0 | 112.4 | Q128 L129 K134 E135 T136 | Q128-Y132 PolarHBondContact O-N 3.38Å; L129-Y132 PolarHBondContact O-N 2.93Å; Y132-K134 VanDerWaalsContact C-N 3.32Å; Y132-K134 PolarHBondContact O-N 3.18Å; Y132-E135 PolarHBondContact O-N 2.95Å; Y132-T136 WeakPolarHBondContact O-CB 3.12Å; Y132-T136 PolarHBondContact O-N 2.89Å; Y132-T136 PolarHBondContact O-OG1 3.34Å; Y132-T136 VanDerWaalsContact O-OG1 3.04Å |
| 133 | K | 57.9 | Low | 63 | Low | 74 Ų | 74 | 103.8 Ų | 103.8 | 32% | 0.322 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -36 | 175.8 | -71.7 | -172.8 | -179.9 | -164 | 0 | 112.9 | L129 G131 R137 Y173 E177 | L129-K133 WeakPolarHBondContact O-CB 3.43Å; L129-K133 WeakPolarHBondContact O-CG 3.46Å; L129-K133 PolarHBondContact O-N 3.41Å; G131-K133 PolarHBondContact O-N 3.19Å; K133-R137 WeakPolarHBondContact O-CB 3.2Å; K133-R137 PolarHBondContact O-N 2.75Å; K133-Y173 WeakPolarHBondContact CE-OH 3.49Å; K133-Y173 HydrophobicContact CG-CE2 4.43Å; K133-Y173 PolarHBondContact NZ-OH 2.66Å; K133-E177 IonicContact NZ-OE2 2.77Å; K133-E177 PolarHBondContact NZ-OE2 2.96Å |
| 134 | K | 61.6 | Low | 62.6 | Low | 132 Ų | 132 | 105.2 Ų | 105.2 | 57% | 0.574 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.2 | -44.7 | 174.7 | -175.8 | -172.1 | 174.3 | -170 | 0 | 111.4 | K130 G131 Y132 R137 Q138 | K130-K134 WeakPolarHBondContact O-CB 3.5Å; K130-K134 PolarHBondContact O-N 2.78Å; G131-K134 WeakPolarHBondContact O-CB 3.44Å; G131-K134 PolarHBondContact O-N 3.28Å; Y132-K134 VanDerWaalsContact C-N 3.32Å; Y132-K134 PolarHBondContact O-N 3.18Å; K134-R137 PolarHBondContact O-N 3.4Å; K134-Q138 PolarHBondContact O-N 3.03Å |
| 135 | E | 65.6 | Low | 61.9 | Low | 116 Ų | 116 | 104.4 Ų | 104.4 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.9 | -44.4 | -177.9 | -172.7 | 171.7 | -163.2 | 0 | 0 | 112 | G131 Y132 R137 Q138 Q139 | G131-E135 PolarHBondContact O-N 3.08Å; Y132-E135 PolarHBondContact O-N 2.95Å; E135-R137 VanDerWaalsContact C-N 3.33Å; E135-R137 PolarHBondContact O-N 3.13Å; E135-Q138 WeakPolarHBondContact O-CB 3.46Å; E135-Q138 PolarHBondContact O-N 3.16Å; E135-Q139 PolarHBondContact O-N 2.97Å |
| 136 | T | 56 | Low | 61.1 | Low | 46 Ų | 46 | 106.6 Ų | 106.6 | 28% | 0.282 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58 | -44.4 | 171.7 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | Y132 Q138 Q139 L140 | Y132-T136 WeakPolarHBondContact O-CB 3.12Å; Y132-T136 PolarHBondContact O-N 2.89Å; Y132-T136 PolarHBondContact O-OG1 3.34Å; Y132-T136 VanDerWaalsContact O-OG1 3.04Å; T136-Q138 VanDerWaalsContact C-N 3.27Å; T136-Q138 PolarHBondContact O-N 3.39Å; T136-Q139 PolarHBondContact O-N 3.47Å; T136-L140 WeakPolarHBondContact O-CB 3.4Å; T136-L140 PolarHBondContact O-N 3.41Å |
| 137 | R | 55.7 | Low | 60.4 | Low | 181 Ų | 181 | 108.5 Ų | 108.5 | 68% | 0.683 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.5 | -34.9 | 175 | -171.6 | -176.2 | 71.1 | 175.8 | 6 | 112.3 | K133 K134 E135 F141 | K133-R137 WeakPolarHBondContact O-CB 3.2Å; K133-R137 PolarHBondContact O-N 2.75Å; K134-R137 PolarHBondContact O-N 3.4Å; E135-R137 VanDerWaalsContact C-N 3.33Å; E135-R137 PolarHBondContact O-N 3.13Å; R137-F141 WeakPolarHBondContact O-CB 3.32Å; R137-F141 PolarHBondContact O-N 3.07Å |
| 138 | Q | 66.6 | Low | 59.4 | Low | 97 Ų | 97 | 110.2 Ų | 110.2 | 45% | 0.453 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.1 | -38.6 | 178.9 | -165.3 | 166.2 | 17.4 | 0 | 0 | 112.2 | K134 E135 T136 F141 L142 | K134-Q138 PolarHBondContact O-N 3.03Å; E135-Q138 WeakPolarHBondContact O-CB 3.46Å; E135-Q138 PolarHBondContact O-N 3.16Å; T136-Q138 VanDerWaalsContact C-N 3.27Å; T136-Q138 PolarHBondContact O-N 3.39Å; Q138-F141 PolarHBondContact O-N 2.95Å; Q138-L142 PolarHBondContact O-N 3.29Å |
| 139 | Q | 65.9 | Low | 58.4 | Low | 131 Ų | 131 | 108 Ų | 108 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.2 | -44.6 | 169.7 | -70.8 | -170.8 | 4.9 | 0 | 0 | 111.8 | E135 T136 F141 L142 Q143 | E135-Q139 PolarHBondContact O-N 2.97Å; T136-Q139 PolarHBondContact O-N 3.47Å; Q139-F141 VanDerWaalsContact C-N 3.31Å; Q139-F141 PolarHBondContact O-N 3.48Å; Q139-L142 PolarHBondContact O-N 3.28Å; Q139-Q143 WeakPolarHBondContact O-CB 3.46Å; Q139-Q143 PolarHBondContact O-N 3.3Å |
| 140 | L | 59 | Low | 57.6 | Low | 77 Ų | 77 | 110.8 Ų | 110.8 | 40% | 0.403 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.5 | -37.8 | 179.9 | -140 | 165.3 | 0 | 0 | 0 | 111.5 | T136 L144 T166 | T136-L140 WeakPolarHBondContact O-CB 3.4Å; T136-L140 PolarHBondContact O-N 3.41Å; L140-L144 HydrophobicContact CD2-CD1 4.1Å; L140-L144 PolarHBondContact O-N 3.1Å; L140-L144 VanDerWaalsContact O-N 3.17Å; L140-T166 HydrophobicContact CD2-CG2 4.4Å |
| 141 | F | 64.2 | Low | 56.9 | Low | 135 Ų | 135 | 106.5 Ų | 106.5 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.1 | -46.5 | 171.5 | -178.6 | -98.6 | 0 | 0 | 0 | 112.6 | R137 Q138 Q139 Q143 L144 T145 | R137-F141 WeakPolarHBondContact O-CB 3.32Å; R137-F141 PolarHBondContact O-N 3.07Å; Q138-F141 PolarHBondContact O-N 2.95Å; Q139-F141 VanDerWaalsContact C-N 3.31Å; Q139-F141 PolarHBondContact O-N 3.48Å; F141-Q143 VanDerWaalsContact C-N 3.29Å; F141-Q143 PolarHBondContact O-N 2.84Å; F141-L144 WeakPolarHBondContact O-CB 3.25Å; F141-L144 PolarHBondContact O-N 3.24Å; F141-L144 VanDerWaalsContact O-N 3.14Å; F141-T145 HydrophobicContact CE1-CG2 4.17Å; F141-T145 HydrophobicContact CZ-CG2 4.16Å; F141-T145 PolarHBondContact O-N 3.34Å; F141-T145 VanDerWaalsContact O-N 3.09Å; F141-T145 PolarHBondContact O-OG1 3.16Å |
| 142 | L | 63.5 | Low | 55.9 | Low | 98 Ų | 98 | 114.3 Ų | 114.3 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -58.4 | -40.4 | 175.6 | -107.3 | 67.6 | 0 | 0 | 0 | 112.1 | Q138 Q139 L144 T145 T146 | Q138-L142 PolarHBondContact O-N 3.29Å; Q139-L142 PolarHBondContact O-N 3.28Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 PolarHBondContact O-N 2.88Å; L142-T145 WeakPolarHBondContact CA-OG1 3.41Å; L142-T145 PolarHBondContact O-N 2.77Å; L142-T145 PolarHBondContact O-OG1 3.03Å; L142-T145 VanDerWaalsContact O-OG1 3.04Å; L142-T146 WeakPolarHBondContact O-CG2 3.28Å; L142-T146 PolarHBondContact O-N 3.29Å; L142-T146 PolarHBondContact O-OG1 3.26Å; L142-T146 VanDerWaalsContact O-OG1 3.08Å |
| 143 | Q | 64.5 | Low | 55.1 | Low | 118 Ų | 118 | 117 Ų | 117 | 55% | 0.551 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.4 | -21.4 | 179.5 | -167.9 | 167.8 | 5.4 | 0 | 0 | 113.1 | Q139 F141 | Q139-Q143 WeakPolarHBondContact O-CB 3.46Å; Q139-Q143 PolarHBondContact O-N 3.3Å; F141-Q143 VanDerWaalsContact C-N 3.29Å; F141-Q143 PolarHBondContact O-N 2.84Å |
| 144 | L | 56 | Low | 54.4 | Low | 86 Ų | 86 | 118.4 Ų | 118.4 | 45% | 0.45 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -74 | -42.5 | 167.2 | -107.5 | 67.5 | 0 | 0 | 0 | 111.6 | L140 F141 L142 L162 | L140-L144 HydrophobicContact CD2-CD1 4.1Å; L140-L144 PolarHBondContact O-N 3.1Å; L140-L144 VanDerWaalsContact O-N 3.17Å; F141-L144 WeakPolarHBondContact O-CB 3.25Å; F141-L144 PolarHBondContact O-N 3.24Å; F141-L144 VanDerWaalsContact O-N 3.14Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 PolarHBondContact O-N 2.88Å; L144-L162 HydrophobicContact CG-CD2 4.44Å |
| 145 | T | 52.5 | Low | 53 | Low | 76 Ų | 76 | 116.1 Ų | 116.1 | 47% | 0.466 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -74.3 | -30 | -178.2 | 47.1 | 0 | 0 | 0 | 0 | 113.9 | F141 L142 Q147 | F141-T145 HydrophobicContact CE1-CG2 4.17Å; F141-T145 HydrophobicContact CZ-CG2 4.16Å; F141-T145 PolarHBondContact O-N 3.34Å; F141-T145 VanDerWaalsContact O-N 3.09Å; F141-T145 PolarHBondContact O-OG1 3.16Å; L142-T145 WeakPolarHBondContact CA-OG1 3.41Å; L142-T145 PolarHBondContact O-N 2.77Å; L142-T145 PolarHBondContact O-OG1 3.03Å; L142-T145 VanDerWaalsContact O-OG1 3.04Å; T145-Q147 VanDerWaalsContact C-N 3.31Å; T145-Q147 PolarHBondContact O-N 3.46Å |
| 146 | T | 53 | Low | 51.8 | Low | 110 Ų | 110 | 120 Ų | 120 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -9.9 | 177.9 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | L142 | L142-T146 WeakPolarHBondContact O-CG2 3.28Å; L142-T146 PolarHBondContact O-N 3.29Å; L142-T146 PolarHBondContact O-OG1 3.26Å; L142-T146 VanDerWaalsContact O-OG1 3.08Å |
| 147 | Q | 52.6 | Low | 51.2 | Low | 125 Ų | 125 | 123.7 Ų | 123.7 | 58% | 0.584 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 13 | 175.9 | -73.9 | -143 | 108.8 | 0 | 0 | 114.6 | T145 P149 | T145-Q147 VanDerWaalsContact C-N 3.31Å; T145-Q147 PolarHBondContact O-N 3.46Å; Q147-P149 VanDerWaalsContact O-CD 3.28Å; Q147-P149 WeakPolarHBondContact O-CD 3.17Å |
| 148 | Q | 47.1 | Very low | 50.7 | Low | 170 Ų | 170 | 119.3 Ų | 119.3 | 79% | 0.794 | 66% | 0.656 | S | S | * | * | trans | -84.4 | 111.8 | 174.5 | -162.2 | 175.4 | 109.3 | 0 | 0 | 110.4 | ||||
| 149 | P | 45.7 | Very low | 49.6 | Very low | 113 Ų | 113 | 120 Ų | 120 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | trans | -76.7 | 134.1 | -175 | 31 | -34.7 | 0 | 0 | 0 | 111.7 | Q147 G151 | Q147-P149 VanDerWaalsContact O-CD 3.28Å; Q147-P149 WeakPolarHBondContact O-CD 3.17Å; P149-G151 PolarHBondContact O-N 3.39Å; P149-G151 VanDerWaalsContact O-N 3.16Å | ||
| 150 | A | 43 | Very low | 48.7 | Very low | 113 Ų | 113 | 116.9 Ų | 116.9 | 93% | 0.934 | 66% | 0.657 | S | S | * | * | trans | -79.9 | 92 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 151 | G | 42.1 | Very low | 48.1 | Very low | 67 Ų | 67 | 116.1 Ų | 116.1 | 69% | 0.691 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 158 | 109.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | P149 | P149-G151 PolarHBondContact O-N 3.39Å; P149-G151 VanDerWaalsContact O-N 3.16Å |
| 152 | K | 43.8 | Very low | 47.5 | Very low | 200 Ų | 200 | 112.4 Ų | 112.4 | 87% | 0.87 | 65% | 0.648 | S | S | * | * | trans | 7.7 | 124.3 | 151.5 | -64.4 | 179.9 | 177.1 | -179.6 | 0 | 119.4 | ||||
| 153 | Q | 40.5 | Very low | 46.8 | Very low | 193 Ų | 193 | 109.5 Ų | 109.5 | 90% | 0.902 | 64% | 0.638 | S | S | * | * | trans | 91.8 | 126.5 | 154.2 | -59.7 | -171.1 | 91.2 | 0 | 0 | 120.6 | ||||
| 154 | A | 43.4 | Very low | 46.3 | Very low | 103 Ų | 103 | 109.2 Ų | 109.2 | 85% | 0.851 | 64% | 0.64 | S | S | * | * | trans | 33.4 | 102.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 155 | A | 31.9 | Very low | 46.3 | Very low | 84 Ų | 84 | 107.9 Ų | 107.9 | 69% | 0.694 | 64% | 0.641 | S | S | * | * | trans | -157.9 | 141 | 143.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E157 | A155-E157 PolarHBondContact O-N 2.96Š| ||
| 156 | K | 40.7 | Very low | 46.4 | Very low | 196 Ų | 196 | 106.8 Ų | 106.8 | 85% | 0.852 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -92.3 | 25.2 | 177.6 | -80.2 | -171.3 | 177.1 | 179.2 | 0 | 114 | ||
| 157 | E | 43.4 | Very low | 46.7 | Very low | 125 Ų | 125 | 103.8 Ų | 103.8 | 58% | 0.584 | 61% | 0.612 | S | S | * | * | trans | -122.9 | 4.5 | -171.8 | -101.1 | -72.1 | 89.1 | 0 | 0 | 119.4 | A155 T160 | A155-E157 PolarHBondContact O-N 2.96Å; E157-T160 WeakPolarHBondContact OE1-CB 3.08Å; E157-T160 PolarHBondContact OE1-OG1 3.39Å | ||
| 158 | P | 45.7 | Very low | 47 | Very low | 88 Ų | 88 | 101.2 Ų | 101.2 | 57% | 0.571 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -78.3 | -21.9 | -178.6 | 32.1 | -35.3 | 0 | 0 | 0 | 114.3 | L162 | P158-L162 PolarHBondContact O-N 2.86Å |
| 159 | V | 43.7 | Very low | 47.7 | Very low | 112 Ų | 112 | 98 Ų | 98 | 68% | 0.679 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -74.5 | -41.4 | -172 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | A161 L162 A163 | V159-A161 VanDerWaalsContact C-N 3.35Å; V159-A161 PolarHBondContact O-N 2.9Å; V159-L162 PolarHBondContact O-N 3.45Å; V159-A163 PolarHBondContact O-N 3.48Å |
| 160 | T | 46 | Very low | 48.2 | Very low | 65 Ų | 65 | 98.1 Ų | 98.1 | 40% | 0.399 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60 | -43.7 | -179.3 | -28.6 | 0 | 0 | 0 | 0 | 111.5 | E157 A163 L164 | E157-T160 WeakPolarHBondContact OE1-CB 3.08Å; E157-T160 PolarHBondContact OE1-OG1 3.39Å; T160-A163 PolarHBondContact O-N 3.46Å; T160-L164 WeakPolarHBondContact O-CG 3.36Å; T160-L164 PolarHBondContact O-N 2.88Å; T160-L164 VanDerWaalsContact O-N 3.13Å |
| 161 | A | 47 | Very low | 49.3 | Very low | 61 Ų | 61 | 96.6 Ų | 96.6 | 50% | 0.504 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.4 | -39 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V159 L164 A165 | V159-A161 VanDerWaalsContact C-N 3.35Å; V159-A161 PolarHBondContact O-N 2.9Å; A161-L164 PolarHBondContact O-N 3.47Å; A161-A165 WeakPolarHBondContact O-CB 3.44Å; A161-A165 PolarHBondContact O-N 2.72Å |
| 162 | L | 51.9 | Low | 50.4 | Low | 58 Ų | 58 | 101.8 Ų | 101.8 | 30% | 0.304 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.7 | -36.7 | 177.9 | -169.8 | 68.2 | 0 | 0 | 0 | 112 | L144 P158 V159 A165 T166 | L144-L162 HydrophobicContact CG-CD2 4.44Å; P158-L162 PolarHBondContact O-N 2.86Å; V159-L162 PolarHBondContact O-N 3.45Å; L162-A165 PolarHBondContact O-N 3.08Å; L162-T166 PolarHBondContact O-N 3.38Å; L162-T166 VanDerWaalsContact O-N 3.14Å; L162-T166 PolarHBondContact O-OG1 2.84Å |
| 163 | A | 48.5 | Very low | 51.2 | Low | 37 Ų | 37 | 96.5 Ų | 96.5 | 31% | 0.306 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | V159 T160 A165 T166 Q167 | V159-A163 PolarHBondContact O-N 3.48Å; T160-A163 PolarHBondContact O-N 3.46Å; A163-A165 VanDerWaalsContact C-N 3.33Å; A163-A165 PolarHBondContact O-N 2.77Å; A163-T166 PolarHBondContact O-N 3.28Å; A163-T166 PolarHBondContact O-OG1 2.92Å; A163-T166 VanDerWaalsContact O-OG1 3.1Å; A163-Q167 PolarHBondContact O-N 3.39Å |
| 164 | L | 54.3 | Low | 52.2 | Low | 112 Ų | 112 | 91.5 Ų | 91.5 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.2 | -36.6 | 176 | -72.8 | 166.5 | 0 | 0 | 0 | 112.5 | T160 A161 P168 | T160-L164 WeakPolarHBondContact O-CG 3.36Å; T160-L164 PolarHBondContact O-N 2.88Å; T160-L164 VanDerWaalsContact O-N 3.13Å; A161-L164 PolarHBondContact O-N 3.47Å; L164-P168 WeakPolarHBondContact O-CD 3.22Å |
| 165 | A | 55.2 | Low | 53.4 | Low | 57 Ų | 57 | 92.8 Ų | 92.8 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.8 | -27.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A161 L162 A163 | A161-A165 WeakPolarHBondContact O-CB 3.44Å; A161-A165 PolarHBondContact O-N 2.72Å; L162-A165 PolarHBondContact O-N 3.08Å; A163-A165 VanDerWaalsContact C-N 3.33Å; A163-A165 PolarHBondContact O-N 2.77Å |
| 166 | T | 55.3 | Low | 55.2 | Low | 54 Ų | 54 | 92.3 Ų | 92.3 | 33% | 0.331 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -90.8 | -28.4 | -178.4 | 44.4 | 0 | 0 | 0 | 0 | 113.7 | L140 L162 A163 Q169 L170 | L140-T166 HydrophobicContact CD2-CG2 4.4Å; L162-T166 PolarHBondContact O-N 3.38Å; L162-T166 VanDerWaalsContact O-N 3.14Å; L162-T166 PolarHBondContact O-OG1 2.84Å; A163-T166 PolarHBondContact O-N 3.28Å; A163-T166 PolarHBondContact O-OG1 2.92Å; A163-T166 VanDerWaalsContact O-OG1 3.1Å; T166-Q169 PolarHBondContact O-N 2.84Å; T166-L170 PolarHBondContact O-N 3.09Å |
| 167 | Q | 57.8 | Low | 56.2 | Low | 46 Ų | 46 | 86.6 Ų | 86.6 | 22% | 0.215 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -48 | -50.3 | 175 | -172.8 | -178.9 | 101.2 | 0 | 0 | 114.8 | A163 Q169 L170 I171 | A163-Q167 PolarHBondContact O-N 3.39Å; Q167-Q169 VanDerWaalsContact C-N 3.32Å; Q167-Q169 PolarHBondContact O-N 2.93Å; Q167-L170 PolarHBondContact O-N 3.46Å; Q167-I171 HydrophobicContact CG-CD1 4.15Å; Q167-I171 WeakPolarHBondContact O-CG1 3.15Å; Q167-I171 PolarHBondContact O-N 2.95Å; Q167-I171 VanDerWaalsContact O-N 3.12Å |
| 168 | P | 60.4 | Low | 57.1 | Low | 72 Ų | 72 | 86.4 Ų | 86.4 | 47% | 0.468 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.3 | -29 | -178 | 25.6 | -35.1 | 0 | 0 | 0 | 113.6 | L164 R172 | L164-P168 WeakPolarHBondContact O-CD 3.22Å; P168-R172 WeakPolarHBondContact O-CB 3.46Å; P168-R172 PolarHBondContact O-N 2.9Å |
| 169 | Q | 60.7 | Low | 58.1 | Low | 102 Ų | 102 | 88.8 Ų | 88.8 | 48% | 0.477 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.4 | -38 | 175.6 | -59.4 | -67 | 6.1 | 0 | 0 | 111.1 | T166 Q167 R172 Y173 | T166-Q169 PolarHBondContact O-N 2.84Å; Q167-Q169 VanDerWaalsContact C-N 3.32Å; Q167-Q169 PolarHBondContact O-N 2.93Å; Q169-R172 PolarHBondContact O-N 3.5Å; Q169-Y173 WeakPolarHBondContact O-CB 3.23Å; Q169-Y173 PolarHBondContact O-N 2.91Å |
| 170 | L | 57.1 | Low | 58.9 | Low | 115 Ų | 115 | 86.7 Ų | 86.7 | 60% | 0.602 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.8 | -43.1 | 176.2 | -160 | 75.9 | 0 | 0 | 0 | 111.5 | T166 Q167 R172 Y173 I174 | T166-L170 PolarHBondContact O-N 3.09Å; Q167-L170 PolarHBondContact O-N 3.46Å; L170-R172 VanDerWaalsContact C-N 3.35Å; L170-R172 PolarHBondContact O-N 3.23Å; L170-Y173 WeakPolarHBondContact O-CB 3.42Å; L170-Y173 PolarHBondContact O-N 3.06Å; L170-I174 HydrophobicContact CG-CD1 4.46Å; L170-I174 WeakPolarHBondContact O-CG1 3.1Å; L170-I174 PolarHBondContact O-N 3.02Å |
| 171 | I | 66.3 | Low | 59.9 | Low | 82 Ų | 82 | 88.1 Ų | 88.1 | 42% | 0.421 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 174 | -66 | 168.1 | 0 | 0 | 0 | 110.5 | Q167 Y173 I174 Q175 | Q167-I171 HydrophobicContact CG-CD1 4.15Å; Q167-I171 WeakPolarHBondContact O-CG1 3.15Å; Q167-I171 PolarHBondContact O-N 2.95Å; Q167-I171 VanDerWaalsContact O-N 3.12Å; I171-Y173 VanDerWaalsContact C-N 3.33Å; I171-Y173 PolarHBondContact O-N 3.26Å; I171-I174 PolarHBondContact O-N 3.49Å; I171-Q175 WeakPolarHBondContact O-CB 3.28Å; I171-Q175 PolarHBondContact O-N 3.27Å |
| 172 | R | 65.4 | Low | 60.7 | Low | 176 Ų | 176 | 89.8 Ų | 89.8 | 66% | 0.664 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.3 | -37.6 | 178.2 | -161.1 | -179.8 | -165.6 | -172.1 | 5.5 | 112.6 | P168 Q169 L170 V176 | P168-R172 WeakPolarHBondContact O-CB 3.46Å; P168-R172 PolarHBondContact O-N 2.9Å; Q169-R172 PolarHBondContact O-N 3.5Å; L170-R172 VanDerWaalsContact C-N 3.35Å; L170-R172 PolarHBondContact O-N 3.23Å; R172-V176 WeakPolarHBondContact O-CG2 3.37Å; R172-V176 PolarHBondContact O-N 3.3Å; R172-V176 VanDerWaalsContact O-N 3.15Å |
| 173 | Y | 59.9 | Low | 61.2 | Low | 89 Ų | 89 | 91.2 Ų | 91.2 | 35% | 0.349 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 173 | 171.4 | -82.9 | 0 | 0 | 0 | 111.5 | K133 Q169 L170 I171 Q175 V176 E177 | K133-Y173 WeakPolarHBondContact CE-OH 3.49Å; K133-Y173 HydrophobicContact CG-CE2 4.43Å; K133-Y173 PolarHBondContact NZ-OH 2.66Å; Q169-Y173 WeakPolarHBondContact O-CB 3.23Å; Q169-Y173 PolarHBondContact O-N 2.91Å; L170-Y173 WeakPolarHBondContact O-CB 3.42Å; L170-Y173 PolarHBondContact O-N 3.06Å; I171-Y173 VanDerWaalsContact C-N 3.33Å; I171-Y173 PolarHBondContact O-N 3.26Å; Y173-Q175 VanDerWaalsContact C-N 3.34Å; Y173-Q175 PolarHBondContact O-N 3.36Å; Y173-V176 PolarHBondContact O-N 3.06Å; Y173-E177 PolarHBondContact O-N 2.86Å; Y173-E177 PolarHBondContact OH-OE2 2.99Å |
| 174 | I | 61.9 | Low | 61.6 | Low | 88 Ų | 88 | 91.6 Ų | 91.6 | 45% | 0.451 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 179 | -66.6 | 165.1 | 0 | 0 | 0 | 111.1 | L170 I171 V176 E177 Q178 | L170-I174 HydrophobicContact CG-CD1 4.46Å; L170-I174 WeakPolarHBondContact O-CG1 3.1Å; L170-I174 PolarHBondContact O-N 3.02Å; I171-I174 PolarHBondContact O-N 3.49Å; I174-V176 PolarHBondContact O-N 3.36Å; I174-E177 PolarHBondContact O-N 3.15Å; I174-Q178 PolarHBondContact O-N 3.34Å |
| 175 | Q | 68.1 | Low | 61.7 | Low | 129 Ų | 129 | 91.8 Ų | 91.8 | 60% | 0.603 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -57.7 | -46.4 | 175.7 | -166.6 | 87.2 | 5.1 | 0 | 0 | 111.7 | I171 Y173 Q179 | I171-Q175 WeakPolarHBondContact O-CB 3.28Å; I171-Q175 PolarHBondContact O-N 3.27Å; Y173-Q175 VanDerWaalsContact C-N 3.34Å; Y173-Q175 PolarHBondContact O-N 3.36Å; Q175-Q179 WeakPolarHBondContact O-CB 3.18Å; Q175-Q179 PolarHBondContact O-N 3.33Å |
| 176 | V | 70.8 | Confident | 61.7 | Low | 75 Ų | 75 | 99.7 Ų | 99.7 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 179.6 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | R172 Y173 I174 Q179 H180 | R172-V176 WeakPolarHBondContact O-CG2 3.37Å; R172-V176 PolarHBondContact O-N 3.3Å; R172-V176 VanDerWaalsContact O-N 3.15Å; Y173-V176 PolarHBondContact O-N 3.06Å; I174-V176 PolarHBondContact O-N 3.36Å; V176-Q179 PolarHBondContact O-N 3.24Å; V176-H180 WeakPolarHBondContact O-CB 3.45Å; V176-H180 PolarHBondContact O-N 3.45Å |
| 177 | E | 61.4 | Low | 61.5 | Low | 75 Ų | 75 | 102 Ų | 102 | 35% | 0.35 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 178.1 | -165.8 | 165 | 100.3 | 0 | 0 | 111.8 | K133 Y173 I174 H180 I181 | K133-E177 IonicContact NZ-OE2 2.77Å; K133-E177 PolarHBondContact NZ-OE2 2.96Å; Y173-E177 PolarHBondContact O-N 2.86Å; Y173-E177 PolarHBondContact OH-OE2 2.99Å; I174-E177 PolarHBondContact O-N 3.15Å; E177-H180 PolarHBondContact O-N 3.16Å; E177-I181 HydrophobicContact CG-CD1 4.27Å; E177-I181 VanDerWaalsContact O-CG1 3.32Å; E177-I181 WeakPolarHBondContact O-CG1 3.32Å; E177-I181 PolarHBondContact O-N 3.13Å |
| 178 | Q | 60.8 | Low | 61.2 | Low | 121 Ų | 121 | 102.7 Ų | 102.7 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60 | -46.1 | 171.9 | -93.3 | -163 | 74.1 | 0 | 0 | 112.7 | I174 H180 I181 L182 | I174-Q178 PolarHBondContact O-N 3.34Å; Q178-H180 VanDerWaalsContact C-N 3.26Å; Q178-H180 PolarHBondContact O-N 2.89Å; Q178-I181 PolarHBondContact O-N 3.43Å; Q178-L182 PolarHBondContact O-N 2.83Å |
| 179 | Q | 67 | Low | 60.8 | Low | 138 Ų | 138 | 102.2 Ų | 102.2 | 65% | 0.645 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.7 | -32.8 | -178.7 | -165.1 | 175.5 | 45.7 | 0 | 0 | 111.9 | Q175 V176 N183 | Q175-Q179 WeakPolarHBondContact O-CB 3.18Å; Q175-Q179 PolarHBondContact O-N 3.33Å; V176-Q179 PolarHBondContact O-N 3.24Å; Q179-N183 WeakPolarHBondContact O-CB 3.44Å; Q179-N183 PolarHBondContact O-N 3.23Å; Q179-N183 VanDerWaalsContact O-N 3.16Å |
| 180 | H | 62 | Low | 60.1 | Low | 69 Ų | 69 | 100.6 Ų | 100.6 | 32% | 0.319 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.7 | -44.5 | 173 | -173.6 | 63.8 | 0 | 0 | 0 | 112.1 | V176 E177 Q178 L182 N183 L184 | V176-H180 WeakPolarHBondContact O-CB 3.45Å; V176-H180 PolarHBondContact O-N 3.45Å; E177-H180 PolarHBondContact O-N 3.16Å; Q178-H180 VanDerWaalsContact C-N 3.26Å; Q178-H180 PolarHBondContact O-N 2.89Å; H180-L182 PolarHBondContact O-N 3.45Å; H180-N183 WeakPolarHBondContact O-CA 3.5Å; H180-N183 WeakPolarHBondContact O-CB 3.38Å; H180-N183 PolarHBondContact O-N 2.98Å; H180-L184 WeakPolarHBondContact O-CD1 3.28Å; H180-L184 PolarHBondContact O-N 3.47Å |
| 181 | I | 66.9 | Low | 59.1 | Low | 95 Ų | 95 | 100.9 Ų | 100.9 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 176.8 | -68.9 | 163.6 | 0 | 0 | 0 | 111.3 | E177 Q178 N183 L184 Q185 | E177-I181 HydrophobicContact CG-CD1 4.27Å; E177-I181 VanDerWaalsContact O-CG1 3.32Å; E177-I181 WeakPolarHBondContact O-CG1 3.32Å; E177-I181 PolarHBondContact O-N 3.13Å; Q178-I181 PolarHBondContact O-N 3.43Å; I181-N183 VanDerWaalsContact C-N 3.26Å; I181-N183 PolarHBondContact O-N 2.92Å; I181-L184 PolarHBondContact O-N 3.26Å; I181-Q185 PolarHBondContact O-N 3.43Å |
| 182 | L | 62.3 | Low | 57.9 | Low | 96 Ų | 96 | 105.4 Ų | 105.4 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61 | -35.5 | 174.1 | -75.2 | 167.1 | 0 | 0 | 0 | 112.3 | Q178 H180 Q185 R186 | Q178-L182 PolarHBondContact O-N 2.83Å; H180-L182 PolarHBondContact O-N 3.45Å; L182-Q185 PolarHBondContact O-N 3.34Å; L182-R186 WeakPolarHBondContact O-CG 3.45Å; L182-R186 PolarHBondContact O-N 3.25Å |
| 183 | N | 62.9 | Low | 56.4 | Low | 88 Ų | 88 | 105.8 Ų | 105.8 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 177.2 | -153 | -52.7 | 0 | 0 | 0 | 111.9 | Q179 H180 I181 R186 Q187 | Q179-N183 WeakPolarHBondContact O-CB 3.44Å; Q179-N183 PolarHBondContact O-N 3.23Å; Q179-N183 VanDerWaalsContact O-N 3.16Å; H180-N183 WeakPolarHBondContact O-CA 3.5Å; H180-N183 WeakPolarHBondContact O-CB 3.38Å; H180-N183 PolarHBondContact O-N 2.98Å; I181-N183 VanDerWaalsContact C-N 3.26Å; I181-N183 PolarHBondContact O-N 2.92Å; N183-R186 PolarHBondContact O-N 3.4Å; N183-Q187 WeakPolarHBondContact O-CG 3.38Å; N183-Q187 PolarHBondContact O-N 3.32Å; N183-Q187 PolarHBondContact O-NE2 2.94Å; N183-Q187 PolarHBondContact OD1-NE2 3Å |
| 184 | L | 56.9 | Low | 55.4 | Low | 45 Ų | 45 | 106.5 Ų | 106.5 | 24% | 0.236 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -61.8 | -41.6 | 172.9 | -94 | 62.6 | 0 | 0 | 0 | 112.2 | M125 H180 I181 Q187 L189 | M125-L184 HydrophobicContact SD-CD1 4.33Å; H180-L184 WeakPolarHBondContact O-CD1 3.28Å; H180-L184 PolarHBondContact O-N 3.47Å; I181-L184 PolarHBondContact O-N 3.26Å; L184-Q187 PolarHBondContact O-N 3.03Å; L184-L189 PolarHBondContact O-N 3.45Å |
| 185 | Q | 55.6 | Low | 54.4 | Low | 116 Ų | 116 | 108.8 Ų | 108.8 | 54% | 0.542 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.1 | -45.3 | 173.3 | -97.6 | -173.1 | -12.5 | 0 | 0 | 112.2 | I181 L182 Q187 G188 V190 | I181-Q185 PolarHBondContact O-N 3.43Å; L182-Q185 PolarHBondContact O-N 3.34Å; Q185-Q187 PolarHBondContact O-N 3.42Å; Q185-G188 PolarHBondContact O-N 2.71Å; Q185-V190 HydrophobicContact CG-CB 4.23Å; Q185-V190 HydrophobicContact CG-CG2 4.26Å |
| 186 | R | 55.2 | Low | 52.7 | Low | 223 Ų | 223 | 107.9 Ų | 107.9 | 84% | 0.842 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.3 | -13.7 | 178.9 | -70.1 | -157.2 | 75.9 | -110.2 | -2.7 | 114.5 | L182 N183 | L182-R186 WeakPolarHBondContact O-CG 3.45Å; L182-R186 PolarHBondContact O-N 3.25Å; N183-R186 PolarHBondContact O-N 3.4Å |
| 187 | Q | 51.2 | Low | 50.8 | Low | 102 Ų | 102 | 108.5 Ų | 108.5 | 48% | 0.477 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.2 | 0.5 | 172.7 | -69.2 | 174.7 | 61.2 | 0 | 0 | 113.2 | N183 L184 Q185 L189 | N183-Q187 WeakPolarHBondContact O-CG 3.38Å; N183-Q187 PolarHBondContact O-N 3.32Å; N183-Q187 PolarHBondContact O-NE2 2.94Å; N183-Q187 PolarHBondContact OD1-NE2 3Å; L184-Q187 PolarHBondContact O-N 3.03Å; Q185-Q187 PolarHBondContact O-N 3.42Å; Q187-L189 VanDerWaalsContact C-N 3.25Å; Q187-L189 HydrophobicContact CB-CD1 4.03Å; Q187-L189 HydrophobicContact CB-CG 4.09Å; Q187-L189 PolarHBondContact O-N 2.9Å |
| 188 | G | 52.9 | Low | 49.4 | Very low | 61 Ų | 61 | 112.2 Ų | 112.2 | 63% | 0.629 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.9 | 12 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q185 V190 | Q185-G188 PolarHBondContact O-N 2.71Å; G188-V190 PolarHBondContact O-N 3.03Å |
| 189 | L | 50.9 | Low | 48.1 | Very low | 61 Ų | 61 | 115.9 Ų | 115.9 | 32% | 0.319 | 63% | 0.632 | S | S | . | * | trans | -87 | 13.9 | -175.1 | -62.6 | 174.2 | 0 | 0 | 0 | 113.6 | L118 L184 Q187 | L118-L189 HydrophobicContact CD1-CD2 4.43Å; L118-L189 HydrophobicContact CD2-CD2 4.33Å; L184-L189 PolarHBondContact O-N 3.45Å; Q187-L189 VanDerWaalsContact C-N 3.25Å; Q187-L189 HydrophobicContact CB-CD1 4.03Å; Q187-L189 HydrophobicContact CB-CG 4.09Å; Q187-L189 PolarHBondContact O-N 2.9Å | ||
| 190 | V | 45.8 | Very low | 46.5 | Very low | 69 Ų | 69 | 114.5 Ų | 114.5 | 42% | 0.418 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -132.3 | 131.5 | 172.9 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | Q185 G188 L192 | Q185-V190 HydrophobicContact CG-CB 4.23Å; Q185-V190 HydrophobicContact CG-CG2 4.26Å; G188-V190 PolarHBondContact O-N 3.03Å; V190-L192 PolarHBondContact O-N 3.21Å |
| 191 | P | 37.3 | Very low | 45 | Very low | 121 Ų | 121 | 117.1 Ų | 117.1 | 79% | 0.786 | 65% | 0.654 | S | S | * | * | trans | -60.5 | 131.8 | -178.3 | -24.7 | 34.4 | 0 | 0 | 0 | 113.1 | Q193 | P191-Q193 PolarHBondContact O-N 3.47Š| ||
| 192 | L | 40.9 | Very low | 43.4 | Very low | 177 Ų | 177 | 121.2 Ų | 121.2 | 93% | 0.927 | 67% | 0.671 | S | S | * | * | trans | -72.4 | 100 | 160.2 | -74.7 | 172.6 | 0 | 0 | 0 | 108.7 | V190 | V190-L192 PolarHBondContact O-N 3.21Š| ||
| 193 | Q | 34.1 | Very low | 42.1 | Very low | 183 Ų | 183 | 125.7 Ų | 125.7 | 86% | 0.855 | 69% | 0.689 | S | S | * | * | trans | -96.6 | 122.6 | 163.4 | -163.5 | 173.5 | 23.9 | 0 | 0 | 109 | P191 | P191-Q193 PolarHBondContact O-N 3.47Š| ||
| 194 | P | 37.8 | Very low | 40.6 | Very low | 105 Ų | 105 | 124 Ų | 124 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | trans | -74.5 | 133.2 | -175.6 | 28 | -33.5 | 0 | 0 | 0 | 112.8 | ||||
| 195 | T | 40.9 | Very low | 39.5 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 45.4 | 99.1 | 147.8 | 56.5 | 0 | 0 | 0 | 0 | 119.5 | ||
| 196 | A | 33.8 | Very low | 38.3 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 90% | 0.901 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -161.4 | 9.8 | 144 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 197 | A | 31.1 | Very low | 37.4 | Very low | 89 Ų | 89 | 121 Ų | 121 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -146.7 | -8.8 | -174 | 0 | 0 | 0 | 0 | 0 | 117.4 | Q199 | A197-Q199 PolarHBondContact O-N 3.3Š|
| 198 | M | 30.8 | Very low | 37 | Very low | 152 Ų | 152 | 121.2 Ų | 121.2 | 75% | 0.749 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 75.6 | -175.4 | -77.5 | -97.7 | 64.1 | 0 | 0 | 112.2 | ||
| 199 | Q | 34 | Very low | 36.7 | Very low | 198 Ų | 198 | 121.9 Ų | 121.9 | 93% | 0.925 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151 | 5.2 | 167.5 | -132.9 | 173.6 | 7.7 | 0 | 0 | 116.8 | A197 | A197-Q199 PolarHBondContact O-N 3.3Š|
| 200 | S | 33.4 | Very low | 36.2 | Very low | 109 Ų | 109 | 123.3 Ų | 123.3 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -124.8 | 9.9 | 179 | 62.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 201 | L | 31.1 | Very low | 36.2 | Very low | 124 Ų | 124 | 125 Ų | 125 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | trans | -130.2 | 31 | -179.2 | -111.6 | 165.8 | 0 | 0 | 0 | 114 | Q203 A204 | L201-Q203 VanDerWaalsContact C-N 3.34Å; L201-A204 HydrophobicContact CD2-CB 3.74Å | ||
| 202 | Q | 33.3 | Very low | 36.5 | Very low | 182 Ų | 182 | 124.7 Ų | 124.7 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -89.5 | -0.7 | 164.7 | -150.8 | 80.5 | 20.6 | 0 | 0 | 112.3 | ||
| 203 | Q | 34.8 | Very low | 36.6 | Very low | 190 Ų | 190 | 123.1 Ų | 123.1 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -128.9 | 56.8 | -172.9 | -70.3 | -178.4 | -14.6 | 0 | 0 | 111.5 | L201 | L201-Q203 VanDerWaalsContact C-N 3.34Š|
| 204 | A | 31.9 | Very low | 36.9 | Very low | 51 Ų | 51 | 119.7 Ų | 119.7 | 42% | 0.421 | 69% | 0.69 | S | S | . | * | trans | -143.9 | 47.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L201 M206 | L201-A204 HydrophobicContact CD2-CB 3.74Å; A204-M206 HydrophobicContact CB-CE 4.4Å; A204-M206 PolarHBondContact O-N 3.16Å | ||
| 205 | A | 33.3 | Very low | 37.2 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | -72.6 | 76.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 206 | M | 31 | Very low | 37.1 | Very low | 145 Ų | 145 | 123.8 Ų | 123.8 | 71% | 0.714 | 68% | 0.682 | S | S | * | * | trans | -65.6 | 133.5 | 175.1 | -61.4 | -65.2 | 96.4 | 0 | 0 | 109.2 | A204 | A204-M206 HydrophobicContact CB-CE 4.4Å; A204-M206 PolarHBondContact O-N 3.16Å | ||
| 207 | C | 36.2 | Very low | 37.3 | Very low | 77 Ų | 77 | 126.2 Ų | 126.2 | 52% | 0.52 | 67% | 0.674 | S | S | . | * | trans | -71.3 | 147.9 | -177.4 | -93.5 | 0 | 0 | 0 | 0 | 110.8 | S209 D210 | C207-S209 PolarHBondContact O-N 2.82Å; C207-D210 PolarHBondContact O-N 3.28Å | ||
| 208 | P | 42.9 | Very low | 37.6 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -62.6 | -17.2 | 179.1 | 25.5 | -34.3 | 0 | 0 | 0 | 113.5 | ||
| 209 | S | 45 | Very low | 38 | Very low | 75 Ų | 75 | 123.8 Ų | 123.8 | 52% | 0.524 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -62.3 | -44.3 | 176.5 | -44.8 | 0 | 0 | 0 | 0 | 113.3 | C207 L211 Q212 Q213 | C207-S209 PolarHBondContact O-N 2.82Å; S209-L211 VanDerWaalsContact C-N 3.27Å; S209-L211 PolarHBondContact O-N 2.76Å; S209-Q212 PolarHBondContact O-N 2.83Å; S209-Q213 PolarHBondContact O-N 3.29Å |
| 210 | D | 42 | Very low | 37.7 | Very low | 90 Ų | 90 | 117.6 Ų | 117.6 | 48% | 0.481 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68.1 | -30.7 | -169.9 | -55.2 | -49.3 | 0 | 0 | 0 | 111.7 | C207 Q212 Q213 L214 | C207-D210 PolarHBondContact O-N 3.28Å; D210-Q212 VanDerWaalsContact C-N 3.31Å; D210-Q212 PolarHBondContact O-N 2.9Å; D210-Q213 PolarHBondContact O-N 3.47Å; D210-L214 PolarHBondContact O-N 3.38Å |
| 211 | L | 45.4 | Very low | 37.5 | Very low | 105 Ų | 105 | 117.4 Ų | 117.4 | 55% | 0.55 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -67.6 | -28.8 | 175.5 | -164.5 | 72.9 | 0 | 0 | 0 | 112.7 | S209 | S209-L211 VanDerWaalsContact C-N 3.27Å; S209-L211 PolarHBondContact O-N 2.76Å |
| 212 | Q | 42.9 | Very low | 37.7 | Very low | 115 Ų | 115 | 117.3 Ų | 117.3 | 54% | 0.537 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -77.8 | -31 | 175.2 | -65.4 | -171.7 | -14.1 | 0 | 0 | 111.9 | S209 D210 W215 K216 | S209-Q212 PolarHBondContact O-N 2.83Å; D210-Q212 VanDerWaalsContact C-N 3.31Å; D210-Q212 PolarHBondContact O-N 2.9Å; Q212-W215 PolarHBondContact O-N 3.45Å; Q212-K216 PolarHBondContact O-N 2.9Å |
| 213 | Q | 42.7 | Very low | 37.4 | Very low | 144 Ų | 144 | 113.9 Ų | 113.9 | 67% | 0.673 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.1 | -43.4 | -178.2 | -163.4 | 147.7 | -41.8 | 0 | 0 | 111.8 | S209 D210 W215 K216 E217 | S209-Q213 PolarHBondContact O-N 3.29Å; D210-Q213 PolarHBondContact O-N 3.47Å; Q213-W215 VanDerWaalsContact C-N 3.3Å; Q213-W215 PolarHBondContact O-N 3.47Å; Q213-K216 WeakPolarHBondContact O-CB 3.43Å; Q213-K216 PolarHBondContact O-N 2.83Å; Q213-E217 PolarHBondContact O-N 3.18Å |
| 214 | L | 41.7 | Very low | 37.2 | Very low | 110 Ų | 110 | 109.6 Ų | 109.6 | 58% | 0.576 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -56.2 | -39.8 | 171.7 | -92 | 151.6 | 0 | 0 | 0 | 113.2 | D210 K216 E217 V218 | D210-L214 PolarHBondContact O-N 3.38Å; L214-K216 VanDerWaalsContact C-N 3.28Å; L214-K216 PolarHBondContact O-N 2.93Å; L214-E217 PolarHBondContact O-N 3.46Å; L214-V218 WeakPolarHBondContact O-CG2 3.32Å; L214-V218 PolarHBondContact O-N 3.32Å |
| 215 | W | 42.2 | Very low | 37 | Very low | 150 Ų | 150 | 115.4 Ų | 115.4 | 57% | 0.568 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.7 | -27.9 | 176.2 | -98.2 | 89.2 | 0 | 0 | 0 | 113.4 | Q212 Q213 S219 | Q212-W215 PolarHBondContact O-N 3.45Å; Q213-W215 VanDerWaalsContact C-N 3.3Å; Q213-W215 PolarHBondContact O-N 3.47Å; W215-S219 PolarHBondContact O-OG 3.01Å |
| 216 | K | 40.2 | Very low | 36.7 | Very low | 178 Ų | 178 | 118.6 Ų | 118.6 | 77% | 0.774 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.7 | -28.4 | 179.1 | -157.6 | 174.9 | -174.6 | -179 | 0 | 112.3 | Q212 Q213 L214 | Q212-K216 PolarHBondContact O-N 2.9Å; Q213-K216 WeakPolarHBondContact O-CB 3.43Å; Q213-K216 PolarHBondContact O-N 2.83Å; L214-K216 VanDerWaalsContact C-N 3.28Å; L214-K216 PolarHBondContact O-N 2.93Å |
| 217 | E | 37.8 | Very low | 36.5 | Very low | 159 Ų | 159 | 116.3 Ų | 116.3 | 74% | 0.743 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -78.6 | -33.9 | 179.5 | -166.1 | 165.7 | -157 | 0 | 0 | 112.8 | Q213 L214 | Q213-E217 PolarHBondContact O-N 3.18Å; L214-E217 PolarHBondContact O-N 3.46Å |
| 218 | V | 36.3 | Very low | 36.1 | Very low | 122 Ų | 122 | 119.4 Ų | 119.4 | 74% | 0.739 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -76.3 | -22.3 | 177.7 | 175 | 0 | 0 | 0 | 0 | 113.2 | L214 G220 | L214-V218 WeakPolarHBondContact O-CG2 3.32Å; L214-V218 PolarHBondContact O-N 3.32Å; V218-G220 PolarHBondContact O-N 3.02Å; V218-G220 VanDerWaalsContact O-N 3.12Å |
| 219 | S | 39.3 | Very low | 35.4 | Very low | 68 Ų | 68 | 122.2 Ų | 122.2 | 48% | 0.476 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -85.1 | 26.9 | -171.5 | -55 | 0 | 0 | 0 | 0 | 114.8 | W215 V221 | W215-S219 PolarHBondContact O-OG 3.01Å; S219-V221 PolarHBondContact O-N 3.39Å; S219-V221 VanDerWaalsContact O-N 3.17Å |
| 220 | G | 29 | Very low | 34.5 | Very low | 69 Ų | 69 | 127.8 Ų | 127.8 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | trans | -70.2 | 106.5 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V218 | V218-G220 PolarHBondContact O-N 3.02Å; V218-G220 VanDerWaalsContact O-N 3.12Å | ||
| 221 | V | 28.7 | Very low | 33.7 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | -116.4 | 129 | 159 | -179 | 0 | 0 | 0 | 0 | 107.9 | S219 S223 | S219-V221 PolarHBondContact O-N 3.39Å; S219-V221 VanDerWaalsContact O-N 3.17Å; V221-S223 PolarHBondContact O-N 2.96Å | ||
| 222 | P | 35.7 | Very low | 32.8 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | trans | -69.8 | 123.7 | 179 | 28 | -33.6 | 0 | 0 | 0 | 110.6 | ||||
| 223 | S | 26 | Very low | 32.1 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | -81.3 | 139.2 | 163 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | V221 | V221-S223 PolarHBondContact O-N 2.96Š| ||
| 224 | A | 31.1 | Very low | 31.4 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | trans | -140 | 51.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 225 | E | 27.8 | Very low | 30.6 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | -146.4 | 88.7 | 169.6 | 57 | -167.9 | 134.1 | 0 | 0 | 111.8 | ||||
| 226 | D | 26 | Very low | 30 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | -155 | 98.9 | 137.5 | -145.8 | -25.5 | 0 | 0 | 0 | 111.3 | ||||
| 227 | A | 27.9 | Very low | 29.3 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | trans | -161.8 | 91.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 228 | L | 27.4 | Very low | 28.8 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -167.7 | 123.7 | 133.8 | -154.9 | 48.9 | 0 | 0 | 0 | 115.3 | ||||
| 229 | K | 28.3 | Very low | 28.5 | Very low | 168 Ų | 168 | 127.6 Ų | 127.6 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | 64.3 | 101.3 | 157 | -68.7 | 162.3 | -167.4 | 169.6 | 0 | 120.6 | ||||
| 230 | Q | 25.6 | Very low | 27.9 | Very low | 192 Ų | 192 | 128.7 Ų | 128.7 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | -165.6 | 126.5 | 104.5 | -96.6 | 149.4 | 103.1 | 0 | 0 | 107 | |||||
| 231 | A | 26.4 | Very low | 27.9 | Very low | 85 Ų | 85 | 130.3 Ų | 130.3 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | 90.5 | 111.3 | 56 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 232 | E | 26.6 | Very low | 27.8 | Very low | 206 Ų | 206 | 132 Ų | 132 | 96% | 0.963 | 77% | 0.774 | S | S | * | * | trans | 63.3 | 134.7 | 172.6 | -50.5 | -174.5 | 141.6 | 0 | 0 | 116.4 | ||||
| 233 | G | 27.1 | Very low | 27.3 | Very low | 64 Ų | 64 | 130.3 Ų | 130.3 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | cis | 168.7 | 167.9 | -7.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 234 | L | 29.3 | Very low | 27.3 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 94% | 0.942 | 77% | 0.768 | S | S | * | * | trans | 68.3 | 150.7 | 168.8 | -49 | 177 | 0 | 0 | 0 | 115.7 | ||||
| 235 | D | 24.2 | Very low | 27.1 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | cis | -150.2 | -178.8 | -12.6 | -158.3 | 7 | 0 | 0 | 0 | 111.1 | ||||
| 236 | L | 29 | Very low | 27.1 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | -29.5 | 148.6 | 167.5 | -64.1 | 156.2 | 0 | 0 | 0 | 115.9 | ||||
| 237 | S | 26.6 | Very low | 27.1 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | -168.9 | 152.8 | 59.8 | -57.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 238 | T | 27.4 | Very low | 28.3 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | 3.8 | 150.5 | 146.4 | 64.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 239 | N | 28.2 | Very low | 28.3 | Very low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | cis | -166.2 | 170.1 | 42.8 | -149.4 | 0.3 | 0 | 0 | 0 | 116 | ||||
| 240 | S | 27.1 | Very low | 28.2 | Very low | 91 Ų | 91 | 129 Ų | 129 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | 72.7 | 87 | 158.3 | -57.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 241 | S | 29 | Very low | 28.2 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | 24.6 | 143.4 | 100.6 | -43.4 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 242 | N | 27.3 | Very low | 28.1 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | cis | -159.2 | 133.4 | 10.1 | -114 | -9.1 | 0 | 0 | 0 | 108.2 | ||||
| 243 | S | 25.4 | Very low | 28 | Very low | 87 Ų | 87 | 120.4 Ų | 120.4 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | 81.7 | 125.8 | 83.7 | -61.9 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 244 | T | 25.8 | Very low | 28 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 64 | 153.2 | 153 | 54.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 245 | S | 25.8 | Very low | 28 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | cis | -174.5 | 159.1 | -19.6 | 53.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 246 | A | 28.2 | Very low | 28.2 | Very low | 91 Ų | 91 | 124 Ų | 124 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | 73.5 | 124 | 152.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 247 | F | 27.5 | Very low | 28.1 | Very low | 202 Ų | 202 | 124.7 Ų | 124.7 | 89% | 0.886 | 76% | 0.759 | S | S | * | * | trans | -38.5 | -178.2 | 148.2 | -60.2 | -78.4 | 0 | 0 | 0 | 118 | ||||
| 248 | P | 52.3 | Low | 28 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | cis | -136.3 | -161.6 | -14 | 23.8 | 2.5 | 0 | 0 | 0 | 114.6 | ||||
| 249 | K | 27.2 | Very low | 27.8 | Very low | 202 Ų | 202 | 127.4 Ų | 127.4 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | trans | 91.1 | 152 | 161 | -67.2 | -175.5 | 174 | 176.8 | 0 | 117.7 | ||||
| 250 | A | 26.7 | Very low | 27.7 | Very low | 84 Ų | 84 | 128.4 Ų | 128.4 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | cis | -172.9 | 162.5 | -23.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 251 | A | 24.7 | Very low | 28 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | 65 | 163.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 252 | S | 23.7 | Very low | 27.9 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | cis | -144.1 | 177 | -4.3 | -157.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 253 | A | 26.3 | Very low | 27.8 | Very low | 78 Ų | 78 | 129 Ų | 129 | 65% | 0.645 | 78% | 0.778 | S | S | * | * | trans | -71.8 | 163.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 254 | H | 27.1 | Very low | 27.9 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | -165.6 | 143.7 | 114.6 | -105.3 | -73.3 | 0 | 0 | 0 | 112.9 | |||||
| 255 | I | 29.4 | Very low | 27.8 | Very low | 135 Ų | 135 | 133 Ų | 133 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | -126.4 | 144.4 | 167.8 | -70.9 | 174.8 | 0 | 0 | 0 | 107.4 | L257 | I255-L257 HydrophobicContact CG2-CD1 4.47Š| ||
| 256 | P | 28.3 | Very low | 28 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | trans | -119.3 | 142.8 | 137.2 | -3.8 | 24.6 | 0 | 0 | 0 | 112.2 | ||||
| 257 | L | 25.6 | Very low | 28.4 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -103.7 | 147.7 | 174.6 | -143.1 | 86.2 | 0 | 0 | 0 | 109.2 | I255 | I255-L257 HydrophobicContact CG2-CD1 4.47Š| ||
| 258 | H | 25.2 | Very low | 28.9 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -174.7 | 151.1 | 136.1 | -118.2 | -84.7 | 0 | 0 | 0 | 116.5 | ||||
| 259 | S | 23.6 | Very low | 27.7 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | 64.1 | 111.5 | 149.1 | -59.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 260 | L | 24.8 | Very low | 27.8 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -72.4 | 158 | 138.9 | -85.4 | 165.3 | 0 | 0 | 0 | 109.5 | ||||
| 261 | P | 35.1 | Very low | 27.8 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | -153.5 | 164.3 | 60.7 | 41.9 | -21.4 | 0 | 0 | 0 | 120.2 | |||||
| 262 | N | 25.3 | Very low | 28.1 | Very low | 163 Ų | 163 | 144 Ų | 144 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | 57.6 | 124.4 | 146.5 | -167.4 | 43.2 | 0 | 0 | 0 | 121.3 | ||||
| 263 | G | 26 | Very low | 28.4 | Very low | 66 Ų | 66 | 145.3 Ų | 145.3 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | trans | 157.9 | 86.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 264 | Q | 27 | Very low | 28.8 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 26.7 | 132 | 155 | -78.9 | -177.4 | -51.3 | 0 | 0 | 123.5 | ||||
| 265 | N | 25 | Very low | 28.7 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | 77.2 | 165.8 | 144.5 | -72.7 | -44.3 | 0 | 0 | 0 | 120.7 | ||||
| 266 | H | 29.5 | Very low | 29.2 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | 81.1 | 105.1 | 176.5 | -53.9 | -76.5 | 0 | 0 | 0 | 118 | ||||
| 267 | T | 35.3 | Very low | 29.3 | Very low | 134 Ų | 134 | 149 Ų | 149 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -68.9 | 147.9 | 149.6 | 55.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 268 | P | 38.1 | Very low | 30.1 | Very low | 110 Ų | 110 | 149.5 Ų | 149.5 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | -157.7 | 161.3 | 80.5 | 41.7 | -22 | 0 | 0 | 0 | 118.7 | |||||
| 269 | K | 27.3 | Very low | 30.6 | Very low | 194 Ų | 194 | 144.6 Ų | 144.6 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | 49.2 | 138.6 | 138.5 | -73.4 | -179 | 176.1 | 175.4 | 0 | 123.3 | ||||
| 270 | R | 30.7 | Very low | 31.6 | Very low | 211 Ų | 211 | 144.1 Ų | 144.1 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | 74.8 | 151 | 158.2 | -64.1 | -179.3 | 87 | 102.2 | 22.9 | 116.4 | ||||
| 271 | D | 25.2 | Very low | 33.1 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 55% | 0.545 | 75% | 0.747 | S | S | . | * | cis | -141.3 | 131.2 | -11.4 | -105.7 | -30.6 | 0 | 0 | 0 | 106.7 | ||||
| 272 | R | 30.9 | Very low | 34.7 | Very low | 200 Ų | 200 | 139 Ų | 139 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | 68.1 | 89 | 83.9 | -165.2 | -167.1 | -174.8 | -132.7 | 0.2 | 115.3 | |||||
| 273 | V | 30.1 | Very low | 37.2 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 90% | 0.897 | 72% | 0.719 | S | S | * | * | trans | -131.6 | 150 | 144.6 | -179 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 274 | I | 35.8 | Very low | 39.6 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 59% | 0.59 | 70% | 0.701 | S | S | * | * | trans | -105.6 | 141.3 | -174.5 | -62.3 | 163.1 | 0 | 0 | 0 | 109.2 | E276 | I274-E276 HydrophobicContact CG2-CG 4.1Š| ||
| 275 | H | 25.5 | Very low | 42.2 | Very low | 182 Ų | 182 | 130.3 Ų | 130.3 | 84% | 0.843 | 67% | 0.671 | S | S | * | * | trans | -135.8 | 131.9 | 138.9 | -147.5 | -80.3 | 0 | 0 | 0 | 108.6 | ||||
| 276 | E | 39.2 | Very low | 44.8 | Very low | 151 Ų | 151 | 125 Ų | 125 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | trans | -86.1 | 147.7 | 171.2 | -61.6 | -167.5 | 146.5 | 0 | 0 | 109.3 | I274 | I274-E276 HydrophobicContact CG2-CG 4.1Š| ||
| 277 | E | 29.3 | Very low | 46.9 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | trans | -145.4 | 110.8 | 166.4 | -159.8 | -176.4 | 107.5 | 0 | 0 | 109.2 | S279 | E277-S279 PolarHBondContact O-N 3.42Å; E277-S279 WeakPolarHBondContact OE1-CB 3.3Å; E277-S279 PolarHBondContact OE1-OG 2.93Å | ||
| 278 | L | 43.6 | Very low | 49 | Very low | 163 Ų | 163 | 119.9 Ų | 119.9 | 85% | 0.853 | 62% | 0.619 | S | S | * | * | trans | -80.7 | 62.2 | 176.6 | -80.2 | 77.6 | 0 | 0 | 0 | 110.4 | S280 | L278-S280 VanDerWaalsContact C-N 3.31Å; L278-S280 PolarHBondContact O-N 3.25Å | ||
| 279 | S | 34.4 | Very low | 51.2 | Low | 72 Ų | 72 | 118.1 Ų | 118.1 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | trans | -81.1 | 75.8 | -178.5 | -85.3 | 0 | 0 | 0 | 0 | 113.2 | E277 S281 | E277-S279 PolarHBondContact O-N 3.42Å; E277-S279 WeakPolarHBondContact OE1-CB 3.3Å; E277-S279 PolarHBondContact OE1-OG 2.93Å; S279-S281 PolarHBondContact O-N 2.79Å | ||
| 280 | S | 45.6 | Very low | 54 | Low | 92 Ų | 92 | 109 Ų | 109 | 64% | 0.643 | 56% | 0.562 | S | S | * | * | trans | 50.5 | 53.7 | 138.3 | 63.1 | 0 | 0 | 0 | 0 | 119 | L278 H282 M302 | L278-S280 VanDerWaalsContact C-N 3.31Å; L278-S280 PolarHBondContact O-N 3.25Å; S280-H282 PolarHBondContact O-N 2.8Å; S280-M302 WeakPolarHBondContact O-CE 3.43Å | ||
| 281 | S | 57.1 | Low | 56.3 | Low | 110 Ų | 110 | 103.1 Ų | 103.1 | 77% | 0.769 | 54% | 0.542 | S | S | * | . | trans | -82.9 | 102 | 161.6 | -65.6 | 0 | 0 | 0 | 0 | 111 | S279 | S279-S281 PolarHBondContact O-N 2.79Š| ||
| 282 | H | 66.9 | Low | 58.9 | Low | 65 Ų | 65 | 102.4 Ų | 102.4 | 30% | 0.301 | 53% | 0.532 | S | S | . | . | trans | -67.9 | 137 | 175.9 | -178.7 | -99.9 | 0 | 0 | 0 | 110.9 | S280 L284 Y285 M302 F305 | S280-H282 PolarHBondContact O-N 2.8Å; H282-L284 PolarHBondContact ND1-N 3.16Å; H282-L284 PolarHBondContact O-N 2.88Å; H282-Y285 PolarHBondContact O-N 3.46Å; H282-Y285 VanDerWaalsContact O-O 3.07Å; H282-M302 HydrophobicContact CB-CE 3.57Å; H282-M302 HydrophobicContact CB-SD 4.06Å; H282-F305 HydrophobicContact CB-CE1 4.23Å; H282-F305 AromaticContact CE1-CE1 3.71Å; H282-F305 AromaticContact CE1-CZ 3.69Å; H282-F305 AromaticContact CG-CE1 3.8Å; H282-F305 AromaticContact ND1-CE1 3.17Å; H282-F305 WeakPolarHBondContact ND1-CE1 3.44Å; H282-F305 AromaticContact ND1-CZ 3.29Å; H282-F305 VanDerWaalsContact ND1-CZ 3.29Å; H282-F305 WeakPolarHBondContact ND1-CZ 3.3Å | ||
| 283 | P | 77.9 | Confident | 60.9 | Low | 118 Ų | 118 | 98.3 Ų | 98.3 | 77% | 0.766 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19 | -171 | -27.1 | 35.9 | 0 | 0 | 0 | 116.5 | ||
| 284 | L | 77.6 | Confident | 62.8 | Low | 54 Ų | 54 | 95.4 Ų | 95.4 | 28% | 0.283 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 12.8 | 177.8 | -57.7 | 175.3 | 0 | 0 | 0 | 113 | H282 K291 W292 F305 | H282-L284 PolarHBondContact ND1-N 3.16Å; H282-L284 PolarHBondContact O-N 2.88Å; L284-K291 PolarHBondContact O-N 3.5Å; L284-W292 HydrophobicContact CD1-CE3 3.66Å; L284-W292 HydrophobicContact CD1-CZ3 3.94Å; L284-F305 HydrophobicContact CB-CE2 4.44Å; L284-F305 HydrophobicContact CB-CZ 4.05Å; L284-F305 VanDerWaalsContact O-CE2 3.23Å; L284-F305 WeakPolarHBondContact O-CE2 3.33Å |
| 285 | Y | 81.3 | Confident | 64.9 | Low | 49 Ų | 49 | 91.1 Ų | 91.1 | 19% | 0.192 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.4 | 177.1 | 177.9 | -104.6 | 0 | 0 | 0 | 110.4 | H282 C299 E300 M302 F305 | H282-Y285 PolarHBondContact O-N 3.46Å; H282-Y285 VanDerWaalsContact O-O 3.07Å; Y285-C299 HydrophobicContact CE2-CB 4.18Å; Y285-C299 WeakPolarHBondContact CE2-O 3.37Å; Y285-C299 PolarHBondContact OH-O 2.91Å; Y285-E300 PolarHBondContact OH-O 2.78Å; Y285-M302 HydrophobicContact CD1-CE 3.34Å; Y285-M302 HydrophobicContact CD1-SD 4.15Å; Y285-M302 HydrophobicContact CE1-CB 4.32Å; Y285-M302 HydrophobicContact CE1-CE 3.98Å; Y285-M302 HydrophobicContact CG-CE 3.87Å; Y285-M302 HydrophobicContact CG-SD 4.24Å; Y285-M302 PolarHBondContact OH-N 2.9Å; Y285-F305 HydrophobicContact CD2-CB 3.43Å; Y285-F305 VanDerWaalsContact CD2-CB 3.43Å; Y285-F305 HydrophobicContact CD2-CD1 4.15Å; Y285-F305 AromaticContact CD2-CD2 3.7Å; Y285-F305 HydrophobicContact CD2-CD2 3.7Å; Y285-F305 AromaticContact CD2-CG 3.45Å; Y285-F305 HydrophobicContact CD2-CG 3.45Å; Y285-F305 VanDerWaalsContact CD2-CG 3.45Å; Y285-F305 HydrophobicContact CE2-CB 3.71Å; Y285-F305 HydrophobicContact CE2-CG 4.25Å; Y285-F305 HydrophobicContact CG-CB 4.26Å; Y285-F305 HydrophobicContact CG-CD1 4.22Å; Y285-F305 HydrophobicContact CG-CD2 4.3Å; Y285-F305 AromaticContact CG-CG 3.97Å; Y285-F305 HydrophobicContact CG-CG 3.97Å |
| 286 | G | 78.9 | Confident | 67.4 | Low | 18 Ų | 18 | 91.2 Ų | 91.2 | 19% | 0.186 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | 149.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G288 E289 K291 | G286-G288 PolarHBondContact O-N 2.87Å; G286-E289 WeakPolarHBondContact O-CG 3.4Å; G286-E289 PolarHBondContact O-N 2.99Å; G286-K291 VanDerWaalsContact O-CE 3.24Å; G286-K291 WeakPolarHBondContact O-CE 3.35Å |
| 287 | H | 74.6 | Confident | 69.4 | Low | 185 Ų | 185 | 85.2 Ų | 85.2 | 86% | 0.856 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 16.2 | -172.3 | -50.6 | -94.1 | 0 | 0 | 0 | 115.3 | E289 | H287-E289 HydrophobicContact CB-CG 4.43Š|
| 288 | G | 79.5 | Confident | 71.9 | Confident | 20 Ų | 20 | 84.2 Ų | 84.2 | 21% | 0.206 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 26.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G286 L298 C299 | G286-G288 PolarHBondContact O-N 2.87Å; G288-L298 WeakPolarHBondContact O-CA 3.46Å; G288-C299 CarbonylContact C-O 3.58Å; G288-C299 VanDerWaalsContact C-O 3.29Å; G288-C299 VanDerWaalsContact CA-O 3.28Å; G288-C299 WeakPolarHBondContact CA-O 3.08Å; G288-C299 CarbonylContact O-C 3.55Å; G288-C299 PolarHBondContact O-N 2.77Å |
| 289 | E | 83.8 | Confident | 73.8 | Confident | 73 Ų | 73 | 76.6 Ų | 76.6 | 34% | 0.341 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 152.1 | -179.6 | 52.3 | 170.7 | -146.7 | 0 | 0 | 111.9 | G286 H287 K291 L298 | G286-E289 WeakPolarHBondContact O-CG 3.4Å; G286-E289 PolarHBondContact O-N 2.99Å; H287-E289 HydrophobicContact CB-CG 4.43Å; E289-K291 HydrophobicContact CG-CG 4.43Å; E289-K291 IonicContact OE1-NZ 2.66Å; E289-K291 PolarHBondContact OE1-NZ 2.93Å; E289-L298 HydrophobicContact CB-CD2 4.26Å |
| 290 | C | 86.4 | Confident | 76.1 | Confident | 3 Ų | 3 | 80.8 Ų | 80.8 | 2% | 0.02 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 111.8 | 171.3 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | W292 A297 F305 H308 | C290-W292 PolarHBondContact O-N 3.35Å; C290-A297 HydrophobicContact CB-CB 4.28Å; C290-A297 PolarHBondContact N-O 3.36Å; C290-F305 HydrophobicContact CB-CD2 4.12Å; C290-F305 HydrophobicContact CB-CE2 4.13Å; C290-H308 WeakPolarHBondContact CB-NE2 3.45Å; C290-H308 VanDerWaalsContact SG-CD2 3.55Å; C290-H308 PolarHBondContact SG-NE2 3.47Å |
| 291 | K | 79.6 | Confident | 77.9 | Confident | 87 Ų | 87 | 80.8 Ų | 80.8 | 38% | 0.378 | 45% | 0.452 | S | S | . | . | trans | -88.1 | 30.8 | -179.2 | -60.6 | -178.2 | -179 | -70.6 | 0 | 113.1 | L284 G286 E289 | L284-K291 PolarHBondContact O-N 3.5Å; G286-K291 VanDerWaalsContact O-CE 3.24Å; G286-K291 WeakPolarHBondContact O-CE 3.35Å; E289-K291 HydrophobicContact CG-CG 4.43Å; E289-K291 IonicContact OE1-NZ 2.66Å; E289-K291 PolarHBondContact OE1-NZ 2.93Å | ||
| 292 | W | 79.3 | Confident | 79 | Confident | 87 Ų | 87 | 77.9 Ų | 77.9 | 33% | 0.33 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -73 | 139.6 | 173.2 | -170.8 | -82.6 | 0 | 0 | 0 | 110.3 | L284 C290 G294 C295 L309 H313 | L284-W292 HydrophobicContact CD1-CE3 3.66Å; L284-W292 HydrophobicContact CD1-CZ3 3.94Å; C290-W292 PolarHBondContact O-N 3.35Å; W292-G294 PolarHBondContact O-N 3.22Å; W292-C295 HydrophobicContact CB-CB 3.91Å; W292-C295 PolarHBondContact O-N 2.84Å; W292-L309 HydrophobicContact CE3-CD1 3.84Å; W292-L309 HydrophobicContact CZ3-CD1 4.13Å; W292-H313 WeakPolarHBondContact CB-CD2 3.28Å; W292-H313 VanDerWaalsContact CB-NE2 3.33Å; W292-H313 WeakPolarHBondContact CB-NE2 3.35Å; W292-H313 AromaticContact CD1-CD2 3.93Å; W292-H313 AromaticContact CD1-CE1 4Å; W292-H313 AromaticContact CD1-NE2 3.83Å; W292-H313 HydrophobicContact CD2-CB 4.09Å; W292-H313 AromaticContact CD2-CD2 3.62Å; W292-H313 AromaticContact CD2-CG 3.82Å; W292-H313 HydrophobicContact CE3-CB 4.06Å; W292-H313 AromaticContact CE3-CD2 3.93Å; W292-H313 AromaticContact CG-CD2 3.35Å; W292-H313 AromaticContact CG-CG 3.87Å; W292-H313 AromaticContact CG-NE2 3.53Å; W292-H313 HydrophobicContact CZ3-CB 4.28Å |
| 293 | P | 72.4 | Confident | 79.9 | Confident | 113 Ų | 113 | 77.5 Ų | 77.5 | 73% | 0.734 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 110.6 | -178 | -25.8 | 35.5 | 0 | 0 | 0 | 113.1 | ||
| 294 | G | 69.8 | Low | 80.1 | Confident | 88 Ų | 88 | 75.5 Ų | 75.5 | 91% | 0.907 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | 14.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | W292 | W292-G294 PolarHBondContact O-N 3.22Š|
| 295 | C | 80.6 | Confident | 80.5 | Confident | 24 Ų | 24 | 72.9 Ų | 72.9 | 16% | 0.162 | 41% | 0.407 | C | S | . | . | trans | -108.4 | 145.6 | 166.8 | -169 | 0 | 0 | 0 | 0 | 110.6 | W292 A297 H308 H313 | W292-C295 HydrophobicContact CB-CB 3.91Å; W292-C295 PolarHBondContact O-N 2.84Å; C295-A297 VanDerWaalsContact SG-CB 3.51Å; C295-A297 PolarHBondContact SG-N 3.28Å; C295-A297 VanDerWaalsContact SG-N 3.43Å; C295-H308 VanDerWaalsContact SG-CE1 3.57Å; C295-H308 PolarHBondContact SG-NE2 3.5Å; C295-H308 VanDerWaalsContact SG-NE2 3.42Å; C295-H313 WeakPolarHBondContact CB-NE2 3.16Å; C295-H313 PolarHBondContact SG-NE2 3.23Å | ||
| 296 | E | 76.8 | Confident | 80.6 | Confident | 185 Ų | 185 | 73.8 Ų | 73.8 | 86% | 0.864 | 41% | 0.414 | S | S | * | . | trans | -131.2 | 22.9 | 178 | -62 | 179.4 | 175.9 | 0 | 0 | 110.7 | L298 | E296-L298 PolarHBondContact O-N 2.9Š| ||
| 297 | A | 81.8 | Confident | 80.8 | Confident | 24 Ų | 24 | 79.8 Ų | 79.8 | 20% | 0.198 | 44% | 0.435 | C | S | . | . | trans | -73.2 | 118.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112 | C290 C295 H308 | C290-A297 HydrophobicContact CB-CB 4.28Å; C290-A297 PolarHBondContact N-O 3.36Å; C295-A297 VanDerWaalsContact SG-CB 3.51Å; C295-A297 PolarHBondContact SG-N 3.28Å; C295-A297 VanDerWaalsContact SG-N 3.43Å; A297-H308 WeakPolarHBondContact CB-CE1 3.47Å | ||
| 298 | L | 82.2 | Confident | 81.3 | Confident | 139 Ų | 139 | 71.7 Ų | 71.7 | 73% | 0.728 | 40% | 0.398 | S | S | * | . | B | Isolated β-bridge | trans | -69.9 | 133.6 | 170.7 | -59.1 | 179.6 | 0 | 0 | 0 | 110 | G288 E289 E296 | G288-L298 WeakPolarHBondContact O-CA 3.46Å; E289-L298 HydrophobicContact CB-CD2 4.26Å; E296-L298 PolarHBondContact O-N 2.9Å |
| 299 | C | 82.8 | Confident | 81.5 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.02 | 39% | 0.394 | C | S | . | . | trans | -138.8 | 98.6 | -176.5 | -66.2 | 0 | 0 | 0 | 0 | 107.6 | Y285 G288 D301 Q304 F305 | Y285-C299 HydrophobicContact CE2-CB 4.18Å; Y285-C299 WeakPolarHBondContact CE2-O 3.37Å; Y285-C299 PolarHBondContact OH-O 2.91Å; G288-C299 CarbonylContact C-O 3.58Å; G288-C299 VanDerWaalsContact C-O 3.29Å; G288-C299 VanDerWaalsContact CA-O 3.28Å; G288-C299 WeakPolarHBondContact CA-O 3.08Å; G288-C299 CarbonylContact O-C 3.55Å; G288-C299 PolarHBondContact O-N 2.77Å; C299-D301 VanDerWaalsContact C-N 3.29Å; C299-D301 PolarHBondContact O-N 3.08Å; C299-Q304 HydrophobicContact CB-CB 4.48Å; C299-F305 HydrophobicContact CB-CB 3.75Å | ||
| 300 | E | 83.2 | Confident | 81.4 | Confident | 159 Ų | 159 | 73.3 Ų | 73.3 | 74% | 0.743 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -68 | -30.6 | -169.4 | -53.8 | 174.3 | 142.3 | 0 | 0 | 112.5 | Y285 | Y285-E300 PolarHBondContact OH-O 2.78Š|
| 301 | D | 82.4 | Confident | 81.2 | Confident | 93 Ų | 93 | 78.5 Ų | 78.5 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -118.6 | 156.1 | 173.1 | -51.9 | -77 | 0 | 0 | 0 | 112.3 | C299 G303 Q304 F305 | C299-D301 VanDerWaalsContact C-N 3.29Å; C299-D301 PolarHBondContact O-N 3.08Å; D301-G303 PolarHBondContact O-N 2.94Å; D301-Q304 HydrophobicContact CB-CG 4.07Å; D301-Q304 WeakPolarHBondContact O-CA 3.37Å; D301-Q304 WeakPolarHBondContact O-CB 3.46Å; D301-Q304 PolarHBondContact O-N 3.07Å; D301-Q304 PolarHBondContact OD2-NE2 3.32Å; D301-F305 PolarHBondContact O-N 2.85Å |
| 302 | M | 80.9 | Confident | 81.1 | Confident | 48 Ų | 48 | 80.5 Ų | 80.5 | 24% | 0.236 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -54.3 | -36.1 | 166.2 | 179.2 | 58.7 | 80.7 | 0 | 0 | 112.2 | S280 H282 Y285 Q304 F305 I306 | S280-M302 WeakPolarHBondContact O-CE 3.43Å; H282-M302 HydrophobicContact CB-CE 3.57Å; H282-M302 HydrophobicContact CB-SD 4.06Å; Y285-M302 HydrophobicContact CD1-CE 3.34Å; Y285-M302 HydrophobicContact CD1-SD 4.15Å; Y285-M302 HydrophobicContact CE1-CB 4.32Å; Y285-M302 HydrophobicContact CE1-CE 3.98Å; Y285-M302 HydrophobicContact CG-CE 3.87Å; Y285-M302 HydrophobicContact CG-SD 4.24Å; Y285-M302 PolarHBondContact OH-N 2.9Å; M302-Q304 VanDerWaalsContact C-N 3.34Å; M302-Q304 PolarHBondContact O-N 3.32Å; M302-F305 PolarHBondContact O-N 3.33Å; M302-F305 HydrophobicContact SD-CD1 3.66Å; M302-F305 HydrophobicContact SD-CE1 4.38Å; M302-F305 HydrophobicContact SD-CG 4.5Å; M302-I306 HydrophobicContact CG-CG1 4.38Å; M302-I306 WeakPolarHBondContact O-CG1 3.24Å; M302-I306 PolarHBondContact O-N 3Å; M302-I306 HydrophobicContact SD-CD1 4.28Å; M302-I306 HydrophobicContact SD-CG1 3.99Å |
| 303 | G | 84.9 | Confident | 80.9 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 59% | 0.588 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.5 | -35.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | D301 K307 | D301-G303 PolarHBondContact O-N 2.94Å; G303-K307 PolarHBondContact O-N 3.06Å |
| 304 | Q | 83.7 | Confident | 80.8 | Confident | 76 Ų | 76 | 73.8 Ų | 73.8 | 36% | 0.355 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.8 | -45.1 | 173.1 | -59.1 | -174 | 36 | 0 | 0 | 110.4 | C299 D301 M302 I306 K307 H308 | C299-Q304 HydrophobicContact CB-CB 4.48Å; D301-Q304 HydrophobicContact CB-CG 4.07Å; D301-Q304 WeakPolarHBondContact O-CA 3.37Å; D301-Q304 WeakPolarHBondContact O-CB 3.46Å; D301-Q304 PolarHBondContact O-N 3.07Å; D301-Q304 PolarHBondContact OD2-NE2 3.32Å; M302-Q304 VanDerWaalsContact C-N 3.34Å; M302-Q304 PolarHBondContact O-N 3.32Å; Q304-I306 PolarHBondContact O-N 3.46Å; Q304-K307 WeakPolarHBondContact O-CB 3.41Å; Q304-K307 PolarHBondContact O-N 3.5Å; Q304-K307 VanDerWaalsContact O-N 3.16Å; Q304-H308 PolarHBondContact O-N 2.97Å |
| 305 | F | 85.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57 | -48 | 176 | 166.6 | -94.2 | 0 | 0 | 0 | 112.8 | H282 L284 Y285 C290 C299 D301 M302 K307 H308 L309 | H282-F305 HydrophobicContact CB-CE1 4.23Å; H282-F305 AromaticContact CE1-CE1 3.71Å; H282-F305 AromaticContact CE1-CZ 3.69Å; H282-F305 AromaticContact CG-CE1 3.8Å; H282-F305 AromaticContact ND1-CE1 3.17Å; H282-F305 WeakPolarHBondContact ND1-CE1 3.44Å; H282-F305 AromaticContact ND1-CZ 3.29Å; H282-F305 VanDerWaalsContact ND1-CZ 3.29Å; H282-F305 WeakPolarHBondContact ND1-CZ 3.3Å; L284-F305 HydrophobicContact CB-CE2 4.44Å; L284-F305 HydrophobicContact CB-CZ 4.05Å; L284-F305 VanDerWaalsContact O-CE2 3.23Å; L284-F305 WeakPolarHBondContact O-CE2 3.33Å; Y285-F305 HydrophobicContact CD2-CB 3.43Å; Y285-F305 VanDerWaalsContact CD2-CB 3.43Å; Y285-F305 HydrophobicContact CD2-CD1 4.15Å; Y285-F305 AromaticContact CD2-CD2 3.7Å; Y285-F305 HydrophobicContact CD2-CD2 3.7Å; Y285-F305 AromaticContact CD2-CG 3.45Å; Y285-F305 HydrophobicContact CD2-CG 3.45Å; Y285-F305 VanDerWaalsContact CD2-CG 3.45Å; Y285-F305 HydrophobicContact CE2-CB 3.71Å; Y285-F305 HydrophobicContact CE2-CG 4.25Å; Y285-F305 HydrophobicContact CG-CB 4.26Å; Y285-F305 HydrophobicContact CG-CD1 4.22Å; Y285-F305 HydrophobicContact CG-CD2 4.3Å; Y285-F305 AromaticContact CG-CG 3.97Å; Y285-F305 HydrophobicContact CG-CG 3.97Å; C290-F305 HydrophobicContact CB-CD2 4.12Å; C290-F305 HydrophobicContact CB-CE2 4.13Å; C299-F305 HydrophobicContact CB-CB 3.75Å; D301-F305 PolarHBondContact O-N 2.85Å; M302-F305 PolarHBondContact O-N 3.33Å; M302-F305 HydrophobicContact SD-CD1 3.66Å; M302-F305 HydrophobicContact SD-CE1 4.38Å; M302-F305 HydrophobicContact SD-CG 4.5Å; F305-K307 VanDerWaalsContact C-N 3.27Å; F305-K307 PolarHBondContact O-N 3.44Å; F305-H308 PolarHBondContact O-N 3.14Å; F305-L309 HydrophobicContact CE1-CB 4.47Å; F305-L309 HydrophobicContact CE1-CD2 3.98Å; F305-L309 HydrophobicContact CE2-CD1 4.45Å; F305-L309 HydrophobicContact CZ-CB 4.29Å; F305-L309 HydrophobicContact CZ-CD1 4.03Å; F305-L309 HydrophobicContact CZ-CD2 3.94Å; F305-L309 HydrophobicContact CZ-CG 4.33Å; F305-L309 VanDerWaalsContact O-CB 3.27Å; F305-L309 WeakPolarHBondContact O-CB 3.11Å; F305-L309 PolarHBondContact O-N 3.25Å |
| 306 | I | 84 | Confident | 80.4 | Confident | 67 Ų | 67 | 79.9 Ų | 79.9 | 34% | 0.344 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.1 | -34.3 | 179 | -66.8 | -65.7 | 0 | 0 | 0 | 111 | M302 Q304 N310 | M302-I306 HydrophobicContact CG-CG1 4.38Å; M302-I306 WeakPolarHBondContact O-CG1 3.24Å; M302-I306 PolarHBondContact O-N 3Å; M302-I306 HydrophobicContact SD-CD1 4.28Å; M302-I306 HydrophobicContact SD-CG1 3.99Å; Q304-I306 PolarHBondContact O-N 3.46Å; I306-N310 PolarHBondContact O-N 2.56Å; I306-N310 VanDerWaalsContact O-N 3.16Å; I306-N310 PolarHBondContact O-ND2 3.38Å |
| 307 | K | 83.1 | Confident | 80.4 | Confident | 145 Ų | 145 | 78 Ų | 78 | 63% | 0.63 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -69.5 | -44.2 | 174.8 | -173 | -178.9 | 177 | -172.8 | 0 | 112.2 | G303 Q304 F305 N311 | G303-K307 PolarHBondContact O-N 3.06Å; Q304-K307 WeakPolarHBondContact O-CB 3.41Å; Q304-K307 PolarHBondContact O-N 3.5Å; Q304-K307 VanDerWaalsContact O-N 3.16Å; F305-K307 VanDerWaalsContact C-N 3.27Å; F305-K307 PolarHBondContact O-N 3.44Å; K307-N311 WeakPolarHBondContact O-CB 3.33Å; K307-N311 PolarHBondContact O-N 3.21Å; K307-N311 PolarHBondContact O-ND2 2.91Å |
| 308 | H | 85.3 | Confident | 80 | Confident | 14 Ų | 14 | 86.3 Ų | 86.3 | 7% | 0.065 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.4 | -50.7 | 173.7 | 161.3 | 73.8 | 0 | 0 | 0 | 111.1 | C290 C295 A297 Q304 F305 N310 N311 E312 H313 | C290-H308 WeakPolarHBondContact CB-NE2 3.45Å; C290-H308 VanDerWaalsContact SG-CD2 3.55Å; C290-H308 PolarHBondContact SG-NE2 3.47Å; C295-H308 VanDerWaalsContact SG-CE1 3.57Å; C295-H308 PolarHBondContact SG-NE2 3.5Å; C295-H308 VanDerWaalsContact SG-NE2 3.42Å; A297-H308 WeakPolarHBondContact CB-CE1 3.47Å; Q304-H308 PolarHBondContact O-N 2.97Å; F305-H308 PolarHBondContact O-N 3.14Å; H308-N310 VanDerWaalsContact C-N 3.33Å; H308-N310 PolarHBondContact O-N 3.34Å; H308-N311 PolarHBondContact O-N 3.13Å; H308-E312 VanDerWaalsContact CE1-CD 3.43Å; H308-E312 IonicContact CE1-OE1 2.78Å; H308-E312 IonicContact CE1-OE2 3.87Å; H308-E312 PolarHBondContact CE1-OE2 3.31Å; H308-E312 VanDerWaalsContact CE1-OE2 3.28Å; H308-E312 IonicContact CG-OE1 3.08Å; H308-E312 IonicContact ND1-OE1 3.71Å; H308-E312 PolarHBondContact ND1-OE1 2.98Å; H308-E312 IonicContact ND1-OE2 2.56Å; H308-E312 PolarHBondContact ND1-OE2 2.88Å; H308-E312 PolarHBondContact O-N 3.4Å; H308-H313 AromaticContact CE1-NE2 3.96Å; H308-H313 AromaticContact NE2-CD2 3.77Å; H308-H313 AromaticContact NE2-NE2 3.4Å; H308-H313 PolarHBondContact NE2-NE2 3.33Å |
| 309 | L | 83.4 | Confident | 79.9 | Confident | 24 Ų | 24 | 81.1 Ų | 81.1 | 13% | 0.126 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -55.3 | -44.8 | 179.6 | -172.9 | 76.1 | 0 | 0 | 0 | 112.1 | W292 F305 N311 H313 A314 | W292-L309 HydrophobicContact CE3-CD1 3.84Å; W292-L309 HydrophobicContact CZ3-CD1 4.13Å; F305-L309 HydrophobicContact CE1-CB 4.47Å; F305-L309 HydrophobicContact CE1-CD2 3.98Å; F305-L309 HydrophobicContact CE2-CD1 4.45Å; F305-L309 HydrophobicContact CZ-CB 4.29Å; F305-L309 HydrophobicContact CZ-CD1 4.03Å; F305-L309 HydrophobicContact CZ-CD2 3.94Å; F305-L309 HydrophobicContact CZ-CG 4.33Å; F305-L309 VanDerWaalsContact O-CB 3.27Å; F305-L309 WeakPolarHBondContact O-CB 3.11Å; F305-L309 PolarHBondContact O-N 3.25Å; L309-N311 VanDerWaalsContact C-N 3.33Å; L309-N311 PolarHBondContact O-N 2.89Å; L309-H313 HydrophobicContact CD1-CB 4.04Å; L309-H313 CarbonylContact O-C 3.57Å; L309-H313 VanDerWaalsContact O-CA 3.28Å; L309-H313 WeakPolarHBondContact O-CA 3.38Å; L309-H313 WeakPolarHBondContact O-CB 3.4Å; L309-H313 PolarHBondContact O-N 2.86Å; L309-H313 VanDerWaalsContact O-N 3.09Å; L309-A314 PolarHBondContact O-N 3.45Å |
| 310 | N | 81.9 | Confident | 79.8 | Confident | 103 Ų | 103 | 83 Ų | 83 | 55% | 0.551 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -73.8 | -20.3 | 179.3 | -76 | -70.6 | 0 | 0 | 0 | 114.1 | I306 H308 | I306-N310 PolarHBondContact O-N 2.56Å; I306-N310 VanDerWaalsContact O-N 3.16Å; I306-N310 PolarHBondContact O-ND2 3.38Å; H308-N310 VanDerWaalsContact C-N 3.33Å; H308-N310 PolarHBondContact O-N 3.34Å |
| 311 | N | 81.8 | Confident | 79.7 | Confident | 112 Ų | 112 | 77.8 Ų | 77.8 | 60% | 0.599 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -98.1 | -39.6 | -176.9 | -71.5 | -8.6 | 0 | 0 | 0 | 113.4 | K307 H308 L309 | K307-N311 WeakPolarHBondContact O-CB 3.33Å; K307-N311 PolarHBondContact O-N 3.21Å; K307-N311 PolarHBondContact O-ND2 2.91Å; H308-N311 PolarHBondContact O-N 3.13Å; L309-N311 VanDerWaalsContact C-N 3.33Å; L309-N311 PolarHBondContact O-N 2.89Å |
| 312 | E | 76.4 | Confident | 79.4 | Confident | 129 Ų | 129 | 79 Ų | 79 | 60% | 0.603 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -107.4 | -19.2 | -174.2 | -68.7 | 173.3 | -116 | 0 | 0 | 112.8 | H308 | H308-E312 VanDerWaalsContact CE1-CD 3.43Å; H308-E312 IonicContact CE1-OE1 2.78Å; H308-E312 IonicContact CE1-OE2 3.87Å; H308-E312 PolarHBondContact CE1-OE2 3.31Å; H308-E312 VanDerWaalsContact CE1-OE2 3.28Å; H308-E312 IonicContact CG-OE1 3.08Å; H308-E312 IonicContact ND1-OE1 3.71Å; H308-E312 PolarHBondContact ND1-OE1 2.98Å; H308-E312 IonicContact ND1-OE2 2.56Å; H308-E312 PolarHBondContact ND1-OE2 2.88Å; H308-E312 PolarHBondContact O-N 3.4Å |
| 313 | H | 75.9 | Confident | 79.5 | Confident | 31 Ų | 31 | 80.6 Ų | 80.6 | 14% | 0.144 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -123.9 | 38.7 | 176.4 | -57.1 | -20.4 | 0 | 0 | 0 | 111.1 | W292 C295 H308 L309 | W292-H313 WeakPolarHBondContact CB-CD2 3.28Å; W292-H313 VanDerWaalsContact CB-NE2 3.33Å; W292-H313 WeakPolarHBondContact CB-NE2 3.35Å; W292-H313 AromaticContact CD1-CD2 3.93Å; W292-H313 AromaticContact CD1-CE1 4Å; W292-H313 AromaticContact CD1-NE2 3.83Å; W292-H313 HydrophobicContact CD2-CB 4.09Å; W292-H313 AromaticContact CD2-CD2 3.62Å; W292-H313 AromaticContact CD2-CG 3.82Å; W292-H313 HydrophobicContact CE3-CB 4.06Å; W292-H313 AromaticContact CE3-CD2 3.93Å; W292-H313 AromaticContact CG-CD2 3.35Å; W292-H313 AromaticContact CG-CG 3.87Å; W292-H313 AromaticContact CG-NE2 3.53Å; W292-H313 HydrophobicContact CZ3-CB 4.28Å; C295-H313 WeakPolarHBondContact CB-NE2 3.16Å; C295-H313 PolarHBondContact SG-NE2 3.23Å; H308-H313 AromaticContact CE1-NE2 3.96Å; H308-H313 AromaticContact NE2-CD2 3.77Å; H308-H313 AromaticContact NE2-NE2 3.4Å; H308-H313 PolarHBondContact NE2-NE2 3.33Å; L309-H313 HydrophobicContact CD1-CB 4.04Å; L309-H313 CarbonylContact O-C 3.57Å; L309-H313 VanDerWaalsContact O-CA 3.28Å; L309-H313 WeakPolarHBondContact O-CA 3.38Å; L309-H313 WeakPolarHBondContact O-CB 3.4Å; L309-H313 PolarHBondContact O-N 2.86Å; L309-H313 VanDerWaalsContact O-N 3.09Å |
| 314 | A | 69.6 | Low | 79.7 | Confident | 29 Ų | 29 | 85.6 Ų | 85.6 | 24% | 0.24 | 43% | 0.43 | C | S | . | . | trans | -51.3 | 146.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L309 D316 S319 | L309-A314 PolarHBondContact O-N 3.45Å; A314-D316 WeakPolarHBondContact CB-OD1 3.41Å; A314-D316 PolarHBondContact O-N 3.27Å; A314-S319 PolarHBondContact O-OG 2.89Å | ||
| 315 | L | 68.6 | Low | 80.1 | Confident | 141 Ų | 141 | 85.9 Ų | 85.9 | 74% | 0.738 | 44% | 0.437 | S | S | * | . | trans | -78 | 34.6 | -179 | -65 | 175.2 | 0 | 0 | 0 | 112.8 | T320 | L315-T320 PolarHBondContact O-OG1 3.48Š| ||
| 316 | D | 73.6 | Confident | 80 | Confident | 99 Ų | 99 | 91.8 Ų | 91.8 | 53% | 0.529 | 47% | 0.465 | S | S | . | . | trans | -44.6 | 153.2 | 177 | -61.2 | -17.3 | 0 | 0 | 0 | 112.4 | A314 R318 S319 T320 | A314-D316 WeakPolarHBondContact CB-OD1 3.41Å; A314-D316 PolarHBondContact O-N 3.27Å; D316-R318 HydrophobicContact CB-CB 4.49Å; D316-R318 PolarHBondContact O-N 3.48Å; D316-S319 PolarHBondContact N-OG 3.46Å; D316-S319 PolarHBondContact O-N 3.44Å; D316-S319 PolarHBondContact O-OG 3.47Å; D316-S319 VanDerWaalsContact O-OG 3.06Å; D316-T320 WeakPolarHBondContact O-CB 3.37Å; D316-T320 PolarHBondContact O-N 3.04Å; D316-T320 PolarHBondContact O-OG1 2.74Å | ||
| 317 | D | 77.4 | Confident | 80.3 | Confident | 146 Ų | 146 | 94.6 Ų | 94.6 | 78% | 0.781 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -52.8 | -28.2 | 173.2 | -69.1 | -56.1 | 0 | 0 | 0 | 112.6 | A321 | D317-A321 WeakPolarHBondContact O-CB 3.2Å; D317-A321 PolarHBondContact O-N 2.96Å |
| 318 | R | 74.2 | Confident | 80.7 | Confident | 198 Ų | 198 | 93.9 Ų | 93.9 | 75% | 0.747 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.8 | -47.2 | 175.4 | -163.2 | -179.9 | -165.8 | -176.3 | 4.7 | 113.3 | D316 A321 Q322 | D316-R318 HydrophobicContact CB-CB 4.49Å; D316-R318 PolarHBondContact O-N 3.48Å; R318-A321 PolarHBondContact O-N 2.89Å; R318-Q322 WeakPolarHBondContact O-CG 3.42Å; R318-Q322 PolarHBondContact O-N 3.46Å |
| 319 | S | 78.4 | Confident | 81.1 | Confident | 30 Ų | 30 | 96.6 Ų | 96.6 | 21% | 0.21 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -72.5 | -38.3 | 178.5 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | A314 D316 Q322 C323 | A314-S319 PolarHBondContact O-OG 2.89Å; D316-S319 PolarHBondContact N-OG 3.46Å; D316-S319 PolarHBondContact O-N 3.44Å; D316-S319 PolarHBondContact O-OG 3.47Å; D316-S319 VanDerWaalsContact O-OG 3.06Å; S319-Q322 PolarHBondContact O-N 2.89Å; S319-C323 WeakPolarHBondContact O-CB 3.47Å; S319-C323 PolarHBondContact O-N 3.16Å |
| 320 | T | 82.1 | Confident | 81.6 | Confident | 43 Ų | 43 | 99.1 Ų | 99.1 | 26% | 0.264 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 170.3 | -69.9 | 0 | 0 | 0 | 0 | 112.3 | L315 D316 C323 R324 | L315-T320 PolarHBondContact O-OG1 3.48Å; D316-T320 WeakPolarHBondContact O-CB 3.37Å; D316-T320 PolarHBondContact O-N 3.04Å; D316-T320 PolarHBondContact O-OG1 2.74Å; T320-C323 PolarHBondContact O-N 2.89Å; T320-R324 WeakPolarHBondContact O-CG 3.49Å; T320-R324 PolarHBondContact O-N 2.86Å; T320-R324 VanDerWaalsContact O-N 3.13Å |
| 321 | A | 80.3 | Confident | 82.1 | Confident | 48 Ų | 48 | 99.8 Ų | 99.8 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D317 R318 C323 R324 V325 | D317-A321 WeakPolarHBondContact O-CB 3.2Å; D317-A321 PolarHBondContact O-N 2.96Å; R318-A321 PolarHBondContact O-N 2.89Å; A321-C323 VanDerWaalsContact C-N 3.33Å; A321-C323 PolarHBondContact O-N 3.1Å; A321-R324 PolarHBondContact O-N 2.99Å; A321-V325 WeakPolarHBondContact O-CG2 3.5Å; A321-V325 PolarHBondContact O-N 3.4Å |
| 322 | Q | 77.3 | Confident | 82.5 | Confident | 120 Ų | 120 | 99.8 Ų | 99.8 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.4 | -41.8 | 174.9 | -76.3 | 178.2 | -4.9 | 0 | 0 | 112 | R318 S319 R324 V325 Q326 | R318-Q322 WeakPolarHBondContact O-CG 3.42Å; R318-Q322 PolarHBondContact O-N 3.46Å; S319-Q322 PolarHBondContact O-N 2.89Å; Q322-R324 PolarHBondContact O-N 3.38Å; Q322-V325 PolarHBondContact O-N 3.27Å; Q322-Q326 WeakPolarHBondContact O-CG 3.27Å; Q322-Q326 PolarHBondContact O-N 3.42Å |
| 323 | C | 83.1 | Confident | 83.4 | Confident | 81 Ų | 81 | 98.6 Ų | 98.6 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 174.5 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | S319 T320 A321 V325 Q326 M327 | S319-C323 WeakPolarHBondContact O-CB 3.47Å; S319-C323 PolarHBondContact O-N 3.16Å; T320-C323 PolarHBondContact O-N 2.89Å; A321-C323 VanDerWaalsContact C-N 3.33Å; A321-C323 PolarHBondContact O-N 3.1Å; C323-V325 PolarHBondContact O-N 2.84Å; C323-Q326 PolarHBondContact O-N 3.29Å; C323-M327 WeakPolarHBondContact O-CB 3.5Å; C323-M327 PolarHBondContact O-N 3.49Å |
| 324 | R | 87.9 | Confident | 84.3 | Confident | 161 Ų | 161 | 102.3 Ų | 102.3 | 61% | 0.608 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62 | -42 | 176.4 | -67.4 | 170.9 | -167.9 | -85.9 | 1.3 | 112.3 | T320 A321 Q322 M327 Q328 | T320-R324 WeakPolarHBondContact O-CG 3.49Å; T320-R324 PolarHBondContact O-N 2.86Å; T320-R324 VanDerWaalsContact O-N 3.13Å; A321-R324 PolarHBondContact O-N 2.99Å; Q322-R324 PolarHBondContact O-N 3.38Å; R324-M327 PolarHBondContact O-N 2.82Å; R324-Q328 PolarHBondContact O-N 3.12Å |
| 325 | V | 91.8 | Very high | 85.5 | Confident | 83 Ų | 83 | 104.4 Ų | 104.4 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 176 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | A321 Q322 C323 M327 Q328 V329 | A321-V325 WeakPolarHBondContact O-CG2 3.5Å; A321-V325 PolarHBondContact O-N 3.4Å; Q322-V325 PolarHBondContact O-N 3.27Å; C323-V325 PolarHBondContact O-N 2.84Å; V325-M327 VanDerWaalsContact C-N 3.33Å; V325-M327 PolarHBondContact O-N 3.23Å; V325-Q328 PolarHBondContact O-N 2.85Å; V325-V329 WeakPolarHBondContact O-CG2 3.17Å; V325-V329 PolarHBondContact O-N 3.1Å |
| 326 | Q | 84.2 | Confident | 86.5 | Confident | 124 Ų | 124 | 102 Ų | 102 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.7 | -41.4 | 175.7 | -70.3 | -67.7 | -3.6 | 0 | 0 | 111.6 | Q322 C323 Q328 V329 V330 | Q322-Q326 WeakPolarHBondContact O-CG 3.27Å; Q322-Q326 PolarHBondContact O-N 3.42Å; C323-Q326 PolarHBondContact O-N 3.29Å; Q326-Q328 PolarHBondContact O-N 3.2Å; Q326-V329 PolarHBondContact O-N 2.99Å; Q326-V330 WeakPolarHBondContact O-CG2 3.41Å; Q326-V330 PolarHBondContact O-N 3.47Å |
| 327 | M | 89.7 | Confident | 87.6 | Confident | 126 Ų | 126 | 103.2 Ų | 103.2 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64 | -37.7 | 176.3 | -173.3 | 161.8 | 56 | 0 | 0 | 112.5 | C323 R324 V325 V330 Q331 | C323-M327 WeakPolarHBondContact O-CB 3.5Å; C323-M327 PolarHBondContact O-N 3.49Å; R324-M327 PolarHBondContact O-N 2.82Å; V325-M327 VanDerWaalsContact C-N 3.33Å; V325-M327 PolarHBondContact O-N 3.23Å; M327-V330 PolarHBondContact O-N 2.99Å; M327-Q331 WeakPolarHBondContact O-CB 3.34Å; M327-Q331 PolarHBondContact O-N 3.09Å |
| 328 | Q | 91.6 | Very high | 88.4 | Confident | 130 Ų | 130 | 99.1 Ų | 99.1 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65 | -39.9 | 171.2 | -75 | -178.8 | -26.3 | 0 | 0 | 112.6 | R324 V325 Q326 Q331 Q332 | R324-Q328 PolarHBondContact O-N 3.12Å; V325-Q328 PolarHBondContact O-N 2.85Å; Q326-Q328 PolarHBondContact O-N 3.2Å; Q328-Q331 PolarHBondContact O-N 3.47Å; Q328-Q332 WeakPolarHBondContact O-CB 3.29Å; Q328-Q332 PolarHBondContact O-N 3.02Å |
| 329 | V | 93.4 | Very high | 89.4 | Confident | 71 Ų | 71 | 95.8 Ų | 95.8 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 175.5 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | V325 Q326 Q332 L333 | V325-V329 WeakPolarHBondContact O-CG2 3.17Å; V325-V329 PolarHBondContact O-N 3.1Å; Q326-V329 PolarHBondContact O-N 2.99Å; V329-Q332 PolarHBondContact O-N 2.98Å; V329-L333 HydrophobicContact CG1-CD1 4.19Å; V329-L333 WeakPolarHBondContact O-CG 3.46Å; V329-L333 PolarHBondContact O-N 3.2Å |
| 330 | V | 94.4 | Very high | 90 | Very high | 77 Ų | 77 | 98.9 Ų | 98.9 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 174.8 | 172 | 0 | 0 | 0 | 0 | 110.9 | Q326 M327 Q332 L333 E334 | Q326-V330 WeakPolarHBondContact O-CG2 3.41Å; Q326-V330 PolarHBondContact O-N 3.47Å; M327-V330 PolarHBondContact O-N 2.99Å; V330-Q332 VanDerWaalsContact C-N 3.29Å; V330-Q332 PolarHBondContact O-N 3.04Å; V330-L333 WeakPolarHBondContact O-CB 3.38Å; V330-L333 PolarHBondContact O-N 3.33Å; V330-E334 HydrophobicContact CG1-CG 4.49Å; V330-E334 PolarHBondContact O-N 3.25Å |
| 331 | Q | 93.5 | Very high | 90.5 | Very high | 117 Ų | 117 | 100.3 Ų | 100.3 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.5 | -40.4 | 177.9 | -175 | 176.3 | 51.1 | 0 | 0 | 112.2 | M327 Q328 E334 I335 | M327-Q331 WeakPolarHBondContact O-CB 3.34Å; M327-Q331 PolarHBondContact O-N 3.09Å; Q328-Q331 PolarHBondContact O-N 3.47Å; Q331-E334 PolarHBondContact O-N 3.38Å; Q331-I335 HydrophobicContact CG-CD1 4.19Å; Q331-I335 VanDerWaalsContact O-CG1 3.3Å; Q331-I335 WeakPolarHBondContact O-CG1 3.33Å; Q331-I335 PolarHBondContact O-N 3.29Å |
| 332 | Q | 90.4 | Very high | 91.3 | Very high | 112 Ų | 112 | 104.6 Ų | 104.6 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 176 | -178.3 | 61.7 | 18.6 | 0 | 0 | 112.3 | Q328 V329 V330 I335 Q336 | Q328-Q332 WeakPolarHBondContact O-CB 3.29Å; Q328-Q332 PolarHBondContact O-N 3.02Å; V329-Q332 PolarHBondContact O-N 2.98Å; V330-Q332 VanDerWaalsContact C-N 3.29Å; V330-Q332 PolarHBondContact O-N 3.04Å; Q332-I335 PolarHBondContact O-N 3.46Å; Q332-Q336 WeakPolarHBondContact O-CB 3.45Å; Q332-Q336 PolarHBondContact O-N 3.45Å |
| 333 | L | 94.8 | Very high | 91.9 | Very high | 104 Ų | 104 | 105.1 Ų | 105.1 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.1 | -37.7 | 173.8 | -71 | 169 | 0 | 0 | 0 | 112 | V329 V330 Q336 L337 | V329-L333 HydrophobicContact CG1-CD1 4.19Å; V329-L333 WeakPolarHBondContact O-CG 3.46Å; V329-L333 PolarHBondContact O-N 3.2Å; V330-L333 WeakPolarHBondContact O-CB 3.38Å; V330-L333 PolarHBondContact O-N 3.33Å; L333-Q336 PolarHBondContact O-N 3.08Å; L333-L337 WeakPolarHBondContact O-CB 3.35Å; L333-L337 PolarHBondContact O-N 3.14Å |
| 334 | E | 95.3 | Very high | 92.3 | Very high | 109 Ų | 109 | 105.9 Ų | 105.9 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 173.7 | -69.9 | -173.1 | 133.9 | 0 | 0 | 111.8 | V330 Q331 Q336 L337 A338 | V330-E334 HydrophobicContact CG1-CG 4.49Å; V330-E334 PolarHBondContact O-N 3.25Å; Q331-E334 PolarHBondContact O-N 3.38Å; E334-Q336 VanDerWaalsContact C-N 3.31Å; E334-Q336 PolarHBondContact O-N 3.4Å; E334-L337 PolarHBondContact O-N 3.5Å; E334-A338 WeakPolarHBondContact O-CB 3.3Å; E334-A338 PolarHBondContact O-N 2.77Å |
| 335 | I | 94 | Very high | 92.7 | Very high | 72 Ų | 72 | 103.6 Ų | 103.6 | 37% | 0.369 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 173.7 | -69.5 | 164.3 | 0 | 0 | 0 | 111.1 | Q331 Q332 K339 | Q331-I335 HydrophobicContact CG-CD1 4.19Å; Q331-I335 VanDerWaalsContact O-CG1 3.3Å; Q331-I335 WeakPolarHBondContact O-CG1 3.33Å; Q331-I335 PolarHBondContact O-N 3.29Å; Q332-I335 PolarHBondContact O-N 3.46Å; I335-K339 HydrophobicContact CG2-CD 4.42Å; I335-K339 WeakPolarHBondContact O-CG 3.4Å; I335-K339 PolarHBondContact O-N 2.79Å; I335-K339 VanDerWaalsContact O-N 3.14Å |
| 336 | Q | 89.9 | Confident | 92.7 | Very high | 90 Ų | 90 | 102.3 Ų | 102.3 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.6 | -38.4 | 177.6 | -174.2 | 166.3 | -14.6 | 0 | 0 | 112.3 | Q332 L333 E334 K339 E340 | Q332-Q336 WeakPolarHBondContact O-CB 3.45Å; Q332-Q336 PolarHBondContact O-N 3.45Å; L333-Q336 PolarHBondContact O-N 3.08Å; E334-Q336 VanDerWaalsContact C-N 3.31Å; E334-Q336 PolarHBondContact O-N 3.4Å; Q336-K339 PolarHBondContact O-N 3.16Å; Q336-E340 PolarHBondContact O-N 3Å |
| 337 | L | 95.9 | Very high | 93.1 | Very high | 125 Ų | 125 | 101.5 Ų | 101.5 | 65% | 0.654 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.9 | -40.8 | 173.6 | -178.6 | 63 | 0 | 0 | 0 | 111.5 | L333 E334 E340 S341 | L333-L337 WeakPolarHBondContact O-CB 3.35Å; L333-L337 PolarHBondContact O-N 3.14Å; E334-L337 PolarHBondContact O-N 3.5Å; L337-E340 PolarHBondContact O-N 3.22Å; L337-S341 VanDerWaalsContact O-CB 3.25Å; L337-S341 WeakPolarHBondContact O-CB 3.17Å; L337-S341 PolarHBondContact O-N 2.93Å |
| 338 | A | 94.7 | Very high | 93.1 | Very high | 60 Ų | 60 | 99.6 Ų | 99.6 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E334 S341 E342 | E334-A338 WeakPolarHBondContact O-CB 3.3Å; E334-A338 PolarHBondContact O-N 2.77Å; A338-S341 WeakPolarHBondContact O-CB 3.28Å; A338-S341 PolarHBondContact O-N 2.93Å; A338-E342 PolarHBondContact O-N 3.49Å |
| 339 | K | 94.1 | Very high | 92.8 | Very high | 129 Ų | 129 | 96.4 Ų | 96.4 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.8 | -42.7 | 177.7 | -73.1 | 173.6 | 179.5 | 179.3 | 0 | 113.3 | I335 Q336 S341 E342 R343 | I335-K339 HydrophobicContact CG2-CD 4.42Å; I335-K339 WeakPolarHBondContact O-CG 3.4Å; I335-K339 PolarHBondContact O-N 2.79Å; I335-K339 VanDerWaalsContact O-N 3.14Å; Q336-K339 PolarHBondContact O-N 3.16Å; K339-S341 VanDerWaalsContact C-N 3.32Å; K339-E342 PolarHBondContact O-N 2.96Å; K339-R343 VanDerWaalsContact O-CB 3.31Å; K339-R343 WeakPolarHBondContact O-CB 3.43Å; K339-R343 PolarHBondContact O-N 2.94Å |
| 340 | E | 92.2 | Very high | 92.3 | Very high | 95 Ų | 95 | 99.8 Ų | 99.8 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.6 | -28.3 | 175.3 | -74.3 | -67.7 | 118.9 | 0 | 0 | 112.1 | Q336 L337 R343 L344 | Q336-E340 PolarHBondContact O-N 3Å; L337-E340 PolarHBondContact O-N 3.22Å; E340-R343 VanDerWaalsContact CD-NH1 3.34Å; E340-R343 WeakPolarHBondContact OE1-CD 3.09Å; E340-R343 IonicContact OE1-CZ 2.66Å; E340-R343 IonicContact OE1-NE 2.64Å; E340-R343 IonicContact OE1-NH1 2.75Å; E340-R343 PolarHBondContact OE1-NH1 2.93Å; E340-R343 IonicContact OE2-NH1 3.97Å; E340-R343 PolarHBondContact OE2-NH1 3.4Å; E340-R343 VanDerWaalsContact OE2-NH1 3.08Å; E340-L344 VanDerWaalsContact O-CB 3.31Å; E340-L344 WeakPolarHBondContact O-CB 3.13Å; E340-L344 PolarHBondContact O-N 2.58Å |
| 341 | S | 92.8 | Very high | 91.8 | Very high | 72 Ų | 72 | 102.4 Ų | 102.4 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 170.5 | -169.2 | 0 | 0 | 0 | 0 | 111.9 | L337 A338 K339 R343 L344 Q345 | L337-S341 VanDerWaalsContact O-CB 3.25Å; L337-S341 WeakPolarHBondContact O-CB 3.17Å; L337-S341 PolarHBondContact O-N 2.93Å; A338-S341 WeakPolarHBondContact O-CB 3.28Å; A338-S341 PolarHBondContact O-N 2.93Å; K339-S341 VanDerWaalsContact C-N 3.32Å; S341-R343 VanDerWaalsContact C-N 3.35Å; S341-R343 PolarHBondContact O-N 3.23Å; S341-L344 PolarHBondContact O-N 2.93Å; S341-Q345 WeakPolarHBondContact O-CB 3.41Å; S341-Q345 PolarHBondContact O-N 2.98Å |
| 342 | E | 96 | Very high | 91 | Very high | 139 Ų | 139 | 103.4 Ų | 103.4 | 65% | 0.65 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59 | -45.9 | 173.2 | -175.5 | -170.9 | 175.1 | 0 | 0 | 111.2 | A338 K339 L344 Q345 A346 | A338-E342 PolarHBondContact O-N 3.49Å; K339-E342 PolarHBondContact O-N 2.96Å; E342-L344 PolarHBondContact O-N 3Å; E342-Q345 PolarHBondContact O-N 3.28Å; E342-A346 WeakPolarHBondContact O-CB 3.24Å; E342-A346 PolarHBondContact O-N 3.22Å |
| 343 | R | 90.4 | Very high | 90 | Very high | 131 Ų | 131 | 104.2 Ų | 104.2 | 49% | 0.494 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 176.4 | -175.4 | -173.6 | -178 | -166.9 | 0.1 | 112.5 | K339 E340 S341 A346 M347 | K339-R343 VanDerWaalsContact O-CB 3.31Å; K339-R343 WeakPolarHBondContact O-CB 3.43Å; K339-R343 PolarHBondContact O-N 2.94Å; E340-R343 VanDerWaalsContact CD-NH1 3.34Å; E340-R343 WeakPolarHBondContact OE1-CD 3.09Å; E340-R343 IonicContact OE1-CZ 2.66Å; E340-R343 IonicContact OE1-NE 2.64Å; E340-R343 IonicContact OE1-NH1 2.75Å; E340-R343 PolarHBondContact OE1-NH1 2.93Å; E340-R343 IonicContact OE2-NH1 3.97Å; E340-R343 PolarHBondContact OE2-NH1 3.4Å; E340-R343 VanDerWaalsContact OE2-NH1 3.08Å; S341-R343 VanDerWaalsContact C-N 3.35Å; S341-R343 PolarHBondContact O-N 3.23Å; R343-A346 PolarHBondContact O-N 3.3Å; R343-M347 WeakPolarHBondContact O-CB 3.23Å; R343-M347 PolarHBondContact O-N 3.46Å |
| 344 | L | 92.6 | Very high | 88.4 | Confident | 96 Ų | 96 | 110.3 Ų | 110.3 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 174.6 | 178.9 | 60.4 | 0 | 0 | 0 | 111 | E340 S341 E342 A346 M347 M348 | E340-L344 VanDerWaalsContact O-CB 3.31Å; E340-L344 WeakPolarHBondContact O-CB 3.13Å; E340-L344 PolarHBondContact O-N 2.58Å; S341-L344 PolarHBondContact O-N 2.93Å; E342-L344 PolarHBondContact O-N 3Å; L344-A346 VanDerWaalsContact C-N 3.35Å; L344-A346 PolarHBondContact O-N 3.44Å; L344-M347 WeakPolarHBondContact O-CB 3.43Å; L344-M347 PolarHBondContact O-N 3.03Å; L344-M348 HydrophobicContact CD1-CG 4.48Å; L344-M348 HydrophobicContact CG-SD 4.36Å; L344-M348 WeakPolarHBondContact O-CG 3.28Å; L344-M348 PolarHBondContact O-N 3.25Å |
| 345 | Q | 95.2 | Very high | 86.6 | Confident | 113 Ų | 113 | 111.2 Ų | 111.2 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.3 | -41.3 | 176 | -175.3 | 61.4 | 22.8 | 0 | 0 | 111.5 | S341 E342 M348 T349 | S341-Q345 WeakPolarHBondContact O-CB 3.41Å; S341-Q345 PolarHBondContact O-N 2.98Å; E342-Q345 PolarHBondContact O-N 3.28Å; Q345-M348 PolarHBondContact O-N 2.73Å; Q345-T349 WeakPolarHBondContact O-CG2 3.25Å; Q345-T349 PolarHBondContact O-N 2.81Å; Q345-T349 PolarHBondContact O-OG1 3.07Å |
| 346 | A | 91.4 | Very high | 84.5 | Confident | 56 Ų | 56 | 113.2 Ų | 113.2 | 46% | 0.463 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.2 | -36.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E342 R343 L344 T349 H350 | E342-A346 WeakPolarHBondContact O-CB 3.24Å; E342-A346 PolarHBondContact O-N 3.22Å; R343-A346 PolarHBondContact O-N 3.3Å; L344-A346 VanDerWaalsContact C-N 3.35Å; L344-A346 PolarHBondContact O-N 3.44Å; A346-T349 WeakPolarHBondContact CA-OG1 3.31Å; A346-T349 PolarHBondContact O-OG1 3.36Å; A346-T349 VanDerWaalsContact O-OG1 3.1Å; A346-H350 WeakPolarHBondContact O-CB 3.48Å; A346-H350 PolarHBondContact O-N 3.05Å |
| 347 | M | 92.7 | Very high | 82.3 | Confident | 108 Ų | 108 | 117.7 Ų | 117.7 | 53% | 0.532 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.9 | -42.2 | 171.8 | -168.9 | -173.3 | -55.8 | 0 | 0 | 111.2 | R343 L344 H350 L351 | R343-M347 WeakPolarHBondContact O-CB 3.23Å; R343-M347 PolarHBondContact O-N 3.46Å; L344-M347 WeakPolarHBondContact O-CB 3.43Å; L344-M347 PolarHBondContact O-N 3.03Å; M347-H350 PolarHBondContact O-N 3.42Å; M347-L351 WeakPolarHBondContact O-CG 3.43Å; M347-L351 PolarHBondContact O-N 3.46Å |
| 348 | M | 89.6 | Confident | 79.7 | Confident | 86 Ų | 86 | 117.5 Ų | 117.5 | 42% | 0.424 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.1 | -41.1 | 176.4 | -72.1 | -178.9 | 67.5 | 0 | 0 | 112.3 | L344 Q345 L351 H352 | L344-M348 HydrophobicContact CD1-CG 4.48Å; L344-M348 HydrophobicContact CG-SD 4.36Å; L344-M348 WeakPolarHBondContact O-CG 3.28Å; L344-M348 PolarHBondContact O-N 3.25Å; Q345-M348 PolarHBondContact O-N 2.73Å; M348-L351 PolarHBondContact O-N 2.99Å; M348-H352 PolarHBondContact O-N 3.34Å; M348-H352 PolarHBondContact O-ND1 3.17Å |
| 349 | T | 85.5 | Confident | 77 | Confident | 62 Ų | 62 | 124 Ų | 124 | 38% | 0.38 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.7 | -39.2 | 175.5 | 55.1 | 0 | 0 | 0 | 0 | 111.5 | Q345 A346 L351 H352 M353 | Q345-T349 WeakPolarHBondContact O-CG2 3.25Å; Q345-T349 PolarHBondContact O-N 2.81Å; Q345-T349 PolarHBondContact O-OG1 3.07Å; A346-T349 WeakPolarHBondContact CA-OG1 3.31Å; A346-T349 PolarHBondContact O-OG1 3.36Å; A346-T349 VanDerWaalsContact O-OG1 3.1Å; T349-L351 VanDerWaalsContact C-N 3.35Å; T349-L351 PolarHBondContact O-N 2.94Å; T349-H352 CarbonylContact O-C 3.29Å; T349-H352 PolarHBondContact O-N 3.06Å; T349-H352 VanDerWaalsContact O-N 3.07Å; T349-M353 WeakPolarHBondContact O-CG 3.44Å; T349-M353 PolarHBondContact O-N 2.99Å |
| 350 | H | 83.1 | Confident | 74.3 | Confident | 143 Ų | 143 | 123 Ų | 123 | 66% | 0.662 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -58.6 | -43.1 | 173.3 | -178.2 | 71.6 | 0 | 0 | 0 | 112.5 | A346 M347 H352 M353 | A346-H350 WeakPolarHBondContact O-CB 3.48Å; A346-H350 PolarHBondContact O-N 3.05Å; M347-H350 PolarHBondContact O-N 3.42Å; H350-H352 PolarHBondContact O-N 3.36Å; H350-M353 PolarHBondContact O-N 3.17Å; H350-M353 VanDerWaalsContact O-N 3.17Å |
| 351 | L | 82.9 | Confident | 71.6 | Confident | 131 Ų | 131 | 126.6 Ų | 126.6 | 69% | 0.686 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.7 | -23.5 | 175.4 | -71.4 | 169.2 | 0 | 0 | 0 | 113.7 | M347 M348 T349 | M347-L351 WeakPolarHBondContact O-CG 3.43Å; M347-L351 PolarHBondContact O-N 3.46Å; M348-L351 PolarHBondContact O-N 2.99Å; T349-L351 VanDerWaalsContact C-N 3.35Å; T349-L351 PolarHBondContact O-N 2.94Å |
| 352 | H | 77.6 | Confident | 68.9 | Low | 138 Ų | 138 | 130.1 Ų | 130.1 | 64% | 0.639 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -96 | -2.3 | 175.7 | -62.4 | 113.2 | 0 | 0 | 0 | 113.9 | M348 T349 H350 R354 | M348-H352 PolarHBondContact O-N 3.34Å; M348-H352 PolarHBondContact O-ND1 3.17Å; T349-H352 CarbonylContact O-C 3.29Å; T349-H352 PolarHBondContact O-N 3.06Å; T349-H352 VanDerWaalsContact O-N 3.07Å; H350-H352 PolarHBondContact O-N 3.36Å; H352-R354 PolarHBondContact O-N 3.42Å |
| 353 | M | 70.3 | Confident | 66.2 | Low | 130 Ų | 130 | 131.1 Ų | 131.1 | 64% | 0.64 | 66% | 0.664 | S | S | * | * | trans | -71.9 | 109.8 | 170.8 | -72.3 | -60.4 | 99.9 | 0 | 0 | 109.8 | T349 H350 | T349-M353 WeakPolarHBondContact O-CG 3.44Å; T349-M353 PolarHBondContact O-N 2.99Å; H350-M353 PolarHBondContact O-N 3.17Å; H350-M353 VanDerWaalsContact O-N 3.17Å | ||
| 354 | R | 61.1 | Low | 64.1 | Low | 232 Ų | 232 | 130.3 Ų | 130.3 | 88% | 0.875 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 133.5 | 170.5 | -66.6 | -178.2 | -177.2 | 163.5 | 1.4 | 109.4 | H352 S356 | H352-R354 PolarHBondContact O-N 3.42Å; R354-S356 PolarHBondContact O-N 3.42Å; R354-S356 VanDerWaalsContact O-N 3.17Å |
| 355 | P | 57.5 | Low | 61.3 | Low | 128 Ų | 128 | 134.6 Ų | 134.6 | 83% | 0.831 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 120.8 | 167.5 | -22.3 | 33.2 | 0 | 0 | 0 | 109.7 | E357 | P355-E357 PolarHBondContact O-N 2.89Š|
| 356 | S | 49.9 | Very low | 58.4 | Low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 126.5 | 171.5 | 55 | 0 | 0 | 0 | 0 | 109.4 | R354 | R354-S356 PolarHBondContact O-N 3.42Å; R354-S356 VanDerWaalsContact O-N 3.17Å |
| 357 | E | 42.8 | Very low | 55.6 | Low | 184 Ų | 184 | 140.7 Ų | 140.7 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 138.1 | -178.6 | -72.2 | 170.9 | 92.4 | 0 | 0 | 112.1 | P355 K359 | P355-E357 PolarHBondContact O-N 2.89Å; E357-K359 PolarHBondContact O-N 3.3Å; E357-K359 VanDerWaalsContact O-N 3.13Å |
| 358 | P | 41.9 | Very low | 52.6 | Low | 122 Ų | 122 | 140.5 Ų | 140.5 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | trans | -66.4 | 114.9 | 174.8 | 27.7 | -32.9 | 0 | 0 | 0 | 109.6 | P360 | P358-P360 WeakPolarHBondContact O-CD 3.48Š| ||
| 359 | K | 37.6 | Very low | 49.8 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | -53.6 | 119.4 | 178.1 | -160.5 | 92.3 | 172.6 | -173.6 | 0 | 109.9 | E357 F361 | E357-K359 PolarHBondContact O-N 3.3Å; E357-K359 VanDerWaalsContact O-N 3.13Å; K359-F361 PolarHBondContact O-N 2.83Å | ||
| 360 | P | 36.3 | Very low | 47.5 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | trans | -70.8 | 103.3 | 179.7 | 26.6 | -33.2 | 0 | 0 | 0 | 110.5 | P358 | P358-P360 WeakPolarHBondContact O-CD 3.48Š| ||
| 361 | F | 36.9 | Very low | 44.9 | Very low | 169 Ų | 169 | 142 Ų | 142 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -78.7 | 115.6 | 174 | 179.1 | -99.1 | 0 | 0 | 0 | 109.7 | K359 Q363 | K359-F361 PolarHBondContact O-N 2.83Å; F361-Q363 HydrophobicContact CE1-CG 3.74Å; F361-Q363 HydrophobicContact CZ-CG 3.94Å | ||
| 362 | N | 36.2 | Very low | 42.5 | Very low | 147 Ų | 147 | 141 Ų | 141 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -115.8 | 142.1 | 169.5 | -83.2 | -78.1 | 0 | 0 | 0 | 110 | ||||
| 363 | Q | 38.1 | Very low | 40.5 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -97.7 | 169.6 | -177.9 | -103.3 | -172.7 | -2.3 | 0 | 0 | 112.1 | F361 | F361-Q363 HydrophobicContact CE1-CG 3.74Å; F361-Q363 HydrophobicContact CZ-CG 3.94Å | ||
| 364 | P | 47.2 | Very low | 38.8 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | trans | -90.7 | 150.5 | -152.4 | 34.8 | -37.5 | 0 | 0 | 0 | 115 | ||||
| 365 | L | 33.9 | Very low | 37.5 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 97% | 0.969 | 80% | 0.797 | S | S | * | * | trans | -142.2 | 173.5 | 147.5 | -95.4 | -178.7 | 0 | 0 | 0 | 109.8 | ||||
| 366 | N | 34.9 | Very low | 36.4 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | -119.1 | 161.9 | -153 | -137.7 | -29.9 | 0 | 0 | 0 | 113.9 | ||||
| 367 | L | 32 | Very low | 35.2 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | 53.2 | 111.8 | 160.4 | -104.5 | 66.5 | 0 | 0 | 0 | 120.5 | ||||
| 368 | A | 28.5 | Very low | 34.6 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | -173.2 | 160 | 127.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 369 | S | 32 | Very low | 33.9 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -121.4 | 164.4 | -169.8 | -58.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 370 | S | 36.1 | Very low | 33.4 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | 76.7 | 144.6 | 160.2 | -50.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 371 | G | 30.1 | Very low | 33 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | cis | 157 | 148.9 | -9.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 372 | S | 31 | Very low | 34 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -176.9 | 120.3 | 163.7 | -164.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 373 | L | 35.8 | Very low | 33.6 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | 56.9 | 125.3 | 81.7 | -83.3 | 162.4 | 0 | 0 | 0 | 113.6 | |||||
| 374 | L | 34.8 | Very low | 33 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | cis | -134.1 | 166.1 | 7.9 | -57 | 107.3 | 0 | 0 | 0 | 110.5 | ||||
| 375 | K | 33.3 | Very low | 32.6 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | cis | 87.7 | 113.9 | 14.9 | -176 | 149.2 | -175.3 | 167.7 | 0 | 119 | ||||
| 376 | R | 34.2 | Very low | 33.3 | Very low | 181 Ų | 181 | 127.1 Ų | 127.1 | 68% | 0.683 | 73% | 0.734 | S | S | * | * | trans | 103.9 | 141.8 | 168 | -65.2 | -165.3 | -140.2 | 76.3 | -10 | 114.9 | ||||
| 377 | D | 26 | Very low | 33.2 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | cis | -152.8 | 153.5 | -10.5 | -100.5 | -26.5 | 0 | 0 | 0 | 108.2 | ||||
| 378 | S | 29.5 | Very low | 33.8 | Very low | 90 Ų | 90 | 125.8 Ų | 125.8 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | 62.6 | 127 | 68.9 | -32.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 379 | E | 27.7 | Very low | 35.1 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | cis | -149.1 | -156.6 | 0.3 | -126.6 | 172.4 | 82.1 | 0 | 0 | 108.7 | ||||
| 380 | A | 26.1 | Very low | 35.2 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 72% | 0.719 | 73% | 0.725 | S | S | * | * | cis | -153 | -137 | 19.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 381 | Y | 29 | Very low | 35.1 | Very low | 178 Ų | 178 | 127 Ų | 127 | 70% | 0.698 | 72% | 0.723 | S | S | * | * | trans | -154 | -168.8 | -168.9 | -149 | -133.5 | 0 | 0 | 0 | 109.2 | ||||
| 382 | P | 58 | Low | 35.3 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | cis | -127.6 | -166.5 | 1.5 | 41.8 | -20.3 | 0 | 0 | 0 | 114.1 | ||||
| 383 | E | 27.3 | Very low | 35.3 | Very low | 153 Ų | 153 | 128 Ų | 128 | 72% | 0.715 | 73% | 0.73 | S | S | * | * | cis | -155.9 | 154.7 | 16.4 | -173.8 | 53 | -107.5 | 0 | 0 | 112.4 | ||||
| 384 | G | 25.8 | Very low | 35.5 | Very low | 51 Ų | 51 | 127.6 Ų | 127.6 | 53% | 0.526 | 73% | 0.734 | S | S | . | * | trans | 139.2 | 124 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 385 | L | 38.2 | Very low | 36.1 | Very low | 146 Ų | 146 | 126 Ų | 126 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | trans | -124.5 | 176.4 | -178.2 | -93 | 169.4 | 0 | 0 | 0 | 110.9 | ||||
| 386 | P | 48.6 | Very low | 35.9 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | cis | -144.5 | 153.3 | 27.9 | 30.3 | -4.4 | 0 | 0 | 0 | 122.1 | ||||
| 387 | H | 33.5 | Very low | 35.8 | Very low | 153 Ų | 153 | 123.1 Ų | 123.1 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | trans | 1.9 | 167.7 | 143.8 | 58.9 | -123.1 | 0 | 0 | 0 | 122.9 | ||||
| 388 | P | 45.3 | Very low | 36.8 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | cis | -136.9 | -177.2 | 24.7 | 39.6 | -16.8 | 0 | 0 | 0 | 118.1 | ||||
| 389 | P | 55.8 | Low | 36.7 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | -128 | -177.6 | -155.3 | 44.8 | -32.5 | 0 | 0 | 0 | 117.2 | ||||
| 390 | T | 32.2 | Very low | 36.9 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | 167.9 | 148.7 | 122.9 | -68.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 391 | S | 34 | Very low | 37.1 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | trans | -125.1 | 172.7 | 178.4 | -70.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 392 | A | 36.1 | Very low | 37.3 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 88% | 0.876 | 74% | 0.743 | S | S | * | * | trans | -83.8 | 159.8 | -163.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 393 | A | 30.8 | Very low | 36.5 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | -157.2 | 159.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 394 | T | 39.8 | Very low | 36.7 | Very low | 137 Ų | 137 | 122.3 Ų | 122.3 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | trans | -109.2 | 170 | 179 | 64.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 395 | P | 47.2 | Very low | 37.2 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | -164.1 | -168.6 | 76.7 | 44 | -20.5 | 0 | 0 | 0 | 118.6 | |||||
| 396 | I | 28.9 | Very low | 37.3 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | 86.7 | 137.2 | 156.7 | -63.9 | 165.9 | 0 | 0 | 0 | 121 | ||||
| 397 | T | 32.5 | Very low | 36.4 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -112 | 164 | 177.5 | 6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 398 | P | 46 | Very low | 36.3 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | -164.6 | -167.1 | 74.8 | 45.7 | -23.1 | 0 | 0 | 0 | 119 | |||||
| 399 | L | 27.4 | Very low | 35.6 | Very low | 154 Ų | 154 | 122.9 Ų | 122.9 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | trans | 72.4 | 144.1 | 156.3 | -95.5 | 38 | 0 | 0 | 0 | 119 | ||||
| 400 | R | 31.6 | Very low | 34.4 | Very low | 186 Ų | 186 | 122.8 Ų | 122.8 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | cis | -166.6 | 148.8 | -8.5 | -130.8 | -81.8 | 134.4 | 151.4 | -0.3 | 113 | ||||
| 401 | Q | 30.4 | Very low | 34.4 | Very low | 156 Ų | 156 | 123 Ų | 123 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | trans | 60.6 | 146 | 162 | -93.6 | 150 | -50.2 | 0 | 0 | 118.8 | ||||
| 402 | G | 34.4 | Very low | 34.3 | Very low | 64 Ų | 64 | 126 Ų | 126 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | cis | 106.5 | 141.6 | 10 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 403 | P | 41.5 | Very low | 34 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | cis | -107.2 | 171.9 | 21.9 | 40.7 | -32.5 | 0 | 0 | 0 | 114 | ||||
| 404 | S | 30.8 | Very low | 34 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | 83.2 | 94.3 | 29 | -64.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 405 | V | 36.6 | Very low | 33.5 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | trans | -135.2 | 123.5 | 132.5 | -79.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 406 | I | 39.4 | Very low | 32.7 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | 71.7 | 126.8 | 60.7 | -63.9 | 168.6 | 0 | 0 | 0 | 110.2 | |||||
| 407 | S | 30.9 | Very low | 32.8 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | cis | -178.6 | -179.1 | -10.3 | -102.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 408 | S | 30.9 | Very low | 32.7 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | cis | -176.1 | 161.5 | -35.8 | -83.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 409 | S | 30.8 | Very low | 32.2 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | 38.5 | 121.6 | 148.1 | -54.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 410 | S | 30.2 | Very low | 32.5 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | -164.2 | 142.7 | 124.2 | -86 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 411 | L | 32.8 | Very low | 32.8 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 71% | 0.707 | 74% | 0.744 | S | S | * | * | cis | -163.9 | 142.7 | -29.6 | -125.5 | 171.7 | 0 | 0 | 0 | 106.4 | ||||
| 412 | H | 32.1 | Very low | 33.1 | Very low | 188 Ų | 188 | 126.8 Ų | 126.8 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | trans | -102.9 | 133.4 | 160.1 | -75.2 | 102.7 | 0 | 0 | 0 | 107.8 | ||||
| 413 | T | 28.9 | Very low | 33.5 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | trans | -120.6 | 151 | 170.2 | 35.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 414 | H | 30.2 | Very low | 33.4 | Very low | 176 Ų | 176 | 126.9 Ų | 126.9 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | trans | -59.2 | 167.4 | -172.3 | -49.2 | -97 | 0 | 0 | 0 | 112.8 | ||||
| 415 | S | 29.7 | Very low | 33.6 | Very low | 85 Ų | 85 | 129 Ų | 129 | 59% | 0.594 | 75% | 0.748 | S | S | * | * | cis | -169.4 | -179.7 | 29.1 | -160.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 416 | H | 30.5 | Very low | 33.8 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | 75 | 98.7 | 155.3 | -59.7 | -55.1 | 0 | 0 | 0 | 122.2 | ||||
| 417 | S | 30.6 | Very low | 33.7 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | 75.2 | 127.9 | 117.9 | 69.1 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 418 | H | 31.4 | Very low | 34.1 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | trans | 84.4 | 116.1 | 142.6 | -79.6 | -60.5 | 0 | 0 | 0 | 123.4 | ||||
| 419 | T | 34.8 | Very low | 34.3 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | trans | 78.9 | 142 | 140.4 | 63.4 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 420 | H | 33.9 | Very low | 34.6 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 68.6 | 114.4 | 167.6 | -54.5 | -64 | 0 | 0 | 0 | 119.6 | ||||
| 421 | P | 37.7 | Very low | 35 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | trans | -84.8 | 127.1 | 169.9 | 33.5 | -31.2 | 0 | 0 | 0 | 111.7 | ||||
| 422 | V | 37.2 | Very low | 35.2 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | trans | -111.7 | 147.4 | 167.2 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 423 | G | 43.5 | Very low | 35.3 | Very low | 52 Ų | 52 | 148.4 Ų | 148.4 | 54% | 0.536 | 75% | 0.754 | S | S | . | * | trans | -63.2 | 171.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | I425 | G423-I425 PolarHBondContact O-N 3.34Š| ||
| 424 | P | 38.5 | Very low | 35.8 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | trans | -66.2 | 100 | -169.7 | 26.7 | -35.2 | 0 | 0 | 0 | 112.8 | ||||
| 425 | I | 34.3 | Very low | 36.6 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | trans | -64.1 | 134.3 | 173.9 | -93.1 | 171.5 | 0 | 0 | 0 | 111.1 | G423 R427 | G423-I425 PolarHBondContact O-N 3.34Å; I425-R427 PolarHBondContact O-N 2.94Å; I425-R427 VanDerWaalsContact O-N 3.12Å | ||
| 426 | R | 40.8 | Very low | 38.4 | Very low | 229 Ų | 229 | 141.7 Ų | 141.7 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | trans | -53.3 | 113.4 | 174.2 | -162 | -178 | -160.7 | -178.5 | 6.8 | 109.3 | R428 | R426-R428 PolarHBondContact O-N 3.27Š| ||
| 427 | R | 37.2 | Very low | 40.3 | Very low | 230 Ų | 230 | 135.1 Ų | 135.1 | 87% | 0.868 | 70% | 0.696 | S | S | * | * | trans | -60.9 | 103.5 | -176 | -82 | -168.3 | 176.1 | -174.1 | 0.6 | 111.4 | I425 N429 | I425-R427 PolarHBondContact O-N 2.94Å; I425-R427 VanDerWaalsContact O-N 3.12Å; R427-N429 PolarHBondContact O-N 3.41Å; R427-N429 VanDerWaalsContact O-N 3.13Å | ||
| 428 | R | 40 | Very low | 42.1 | Very low | 222 Ų | 222 | 132.7 Ų | 132.7 | 84% | 0.838 | 68% | 0.682 | S | S | * | * | trans | -69.1 | 96 | 163.5 | -171.3 | -179.9 | -163.7 | 150.4 | 2.5 | 107.3 | R426 S430 | R426-R428 PolarHBondContact O-N 3.27Å; R428-S430 PolarHBondContact O-N 3.08Å | ||
| 429 | N | 36.1 | Very low | 44.1 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 85% | 0.845 | 66% | 0.659 | S | S | * | * | trans | -64.4 | 98.4 | 176.1 | -89.6 | 12.5 | 0 | 0 | 0 | 109.3 | R427 | R427-N429 PolarHBondContact O-N 3.41Å; R427-N429 VanDerWaalsContact O-N 3.13Å | ||
| 430 | S | 35.9 | Very low | 45.9 | Very low | 65 Ų | 65 | 124.7 Ų | 124.7 | 46% | 0.455 | 64% | 0.642 | S | S | . | * | trans | -129.2 | 126.6 | -174.4 | -122.9 | 0 | 0 | 0 | 0 | 110.9 | R428 K432 | R428-S430 PolarHBondContact O-N 3.08Å; S430-K432 PolarHBondContact O-N 2.86Å | ||
| 431 | D | 38.9 | Very low | 48.1 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 61% | 0.61 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 60.6 | 38.3 | 143.4 | -55.2 | -69 | 0 | 0 | 0 | 118.6 | ||
| 432 | K | 36.1 | Very low | 49.8 | Very low | 181 Ų | 181 | 113.8 Ų | 113.8 | 79% | 0.787 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -130 | 111.4 | 158 | -49.7 | -68.6 | 166.2 | -176.1 | 0 | 108.1 | S430 | S430-K432 PolarHBondContact O-N 2.86Š|
| 433 | Y | 35.4 | Very low | 51.4 | Low | 225 Ų | 225 | 114.2 Ų | 114.2 | 88% | 0.882 | 59% | 0.585 | S | S | * | * | trans | 53.3 | 99.4 | -178.2 | -56.7 | -79.8 | 0 | 0 | 0 | 116.1 | T435 | Y433-T435 PolarHBondContact O-N 3.45Š| ||
| 434 | C | 38.7 | Very low | 53 | Low | 85 Ų | 85 | 114.7 Ų | 114.7 | 57% | 0.574 | 58% | 0.575 | S | S | * | * | trans | -75.4 | 103 | 152.8 | -178.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 435 | T | 47 | Very low | 54.7 | Low | 70 Ų | 70 | 110.3 Ų | 110.3 | 43% | 0.429 | 55% | 0.547 | S | S | . | . | trans | -51.1 | 137.7 | 164.3 | -17.6 | 0 | 0 | 0 | 0 | 108.1 | Y433 I437 | Y433-T435 PolarHBondContact O-N 3.45Å; T435-I437 PolarHBondContact O-N 3.45Å | ||
| 436 | P | 68 | Low | 56.7 | Low | 84 Ų | 84 | 108.2 Ų | 108.2 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | trans | -57.5 | 135 | 171.3 | -24 | 34.2 | 0 | 0 | 0 | 109.1 | A438 S439 E440 | P436-A438 PolarHBondContact O-N 3.48Å; P436-A438 VanDerWaalsContact O-N 3.09Å; P436-S439 WeakPolarHBondContact O-CA 3.36Å; P436-S439 WeakPolarHBondContact O-CB 3.31Å; P436-S439 PolarHBondContact O-N 2.89Å; P436-E440 PolarHBondContact O-N 3.16Å | ||
| 437 | I | 70.9 | Confident | 58.7 | Low | 28 Ų | 28 | 101.3 Ų | 101.3 | 14% | 0.144 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -54.4 | -33.5 | 178 | -65.8 | 158.5 | 0 | 0 | 0 | 110.6 | T435 S439 E440 L441 F457 | T435-I437 PolarHBondContact O-N 3.45Å; I437-S439 VanDerWaalsContact C-N 3.34Å; I437-S439 PolarHBondContact O-N 2.86Å; I437-E440 PolarHBondContact O-N 3.48Å; I437-L441 WeakPolarHBondContact O-CB 3.5Å; I437-L441 PolarHBondContact O-N 2.97Å; I437-F457 HydrophobicContact CG1-CE1 4.37Å; I437-F457 HydrophobicContact CG2-CD1 4.26Å; I437-F457 HydrophobicContact CG2-CE1 4.14Å; I437-F457 HydrophobicContact CG2-CZ 4.34Å |
| 438 | A | 68.3 | Low | 61 | Low | 48 Ų | 48 | 91.3 Ų | 91.3 | 40% | 0.397 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.7 | -36.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | P436 A442 H465 | P436-A438 PolarHBondContact O-N 3.48Å; P436-A438 VanDerWaalsContact O-N 3.09Å; A438-A442 WeakPolarHBondContact O-CB 3.38Å; A438-A442 PolarHBondContact O-N 3.03Å; A438-H465 WeakPolarHBondContact CA-NE2 3.45Å |
| 439 | S | 71.9 | Confident | 63.1 | Low | 43 Ų | 43 | 84.5 Ų | 84.5 | 30% | 0.301 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -74.1 | -44.3 | 178.1 | -167.6 | 0 | 0 | 0 | 0 | 111.4 | P436 I437 A442 Q443 | P436-S439 WeakPolarHBondContact O-CA 3.36Å; P436-S439 WeakPolarHBondContact O-CB 3.31Å; P436-S439 PolarHBondContact O-N 2.89Å; I437-S439 VanDerWaalsContact C-N 3.34Å; I437-S439 PolarHBondContact O-N 2.86Å; S439-A442 PolarHBondContact O-N 2.96Å; S439-Q443 WeakPolarHBondContact O-CB 3.45Å; S439-Q443 VanDerWaalsContact O-CG 3.23Å; S439-Q443 WeakPolarHBondContact O-CG 3.42Å; S439-Q443 PolarHBondContact O-N 3.35Å; S439-Q443 PolarHBondContact OG-NE2 3.46Å; S439-Q443 VanDerWaalsContact OG-NE2 3.08Å |
| 440 | E | 74.3 | Confident | 65.3 | Low | 65 Ų | 65 | 82 Ų | 82 | 30% | 0.304 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 176.6 | -168.5 | -177.5 | 160.1 | 0 | 0 | 111.6 | P436 I437 N444 F457 | P436-E440 PolarHBondContact O-N 3.16Å; I437-E440 PolarHBondContact O-N 3.48Å; E440-N444 WeakPolarHBondContact O-CB 3.34Å; E440-N444 PolarHBondContact O-N 2.99Å; E440-N444 VanDerWaalsContact O-N 3.15Å; E440-N444 PolarHBondContact O-ND2 2.91Å; E440-F457 HydrophobicContact CB-CZ 4.46Å; E440-F457 HydrophobicContact CG-CZ 4.18Å |
| 441 | L | 79.1 | Confident | 67.5 | Low | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -73.5 | -31.4 | 177.3 | -173.9 | 58.7 | 0 | 0 | 0 | 113 | I437 N444 C445 Y448 W483 K487 F488 | I437-L441 WeakPolarHBondContact O-CB 3.5Å; I437-L441 PolarHBondContact O-N 2.97Å; L441-N444 CarbonylContact O-C 3.56Å; L441-C445 VanDerWaalsContact O-CA 3.28Å; L441-C445 WeakPolarHBondContact O-CA 3.42Å; L441-C445 PolarHBondContact O-N 3.13Å; L441-Y448 HydrophobicContact CD1-CD2 3.8Å; L441-Y448 HydrophobicContact CD1-CE2 4.43Å; L441-Y448 HydrophobicContact CD1-CG 4.42Å; L441-W483 HydrophobicContact CD2-CH2 4.07Å; L441-W483 HydrophobicContact CD2-CZ2 4.13Å; L441-K487 HydrophobicContact CD2-CD 4.48Å; L441-K487 HydrophobicContact CD2-CG 4.08Å; L441-F488 HydrophobicContact CD1-CE1 3.55Å; L441-F488 HydrophobicContact CD1-CZ 3.68Å; L441-F488 HydrophobicContact CD2-CZ 3.93Å; L441-F488 HydrophobicContact CG-CZ 4.5Å |
| 442 | A | 73.8 | Confident | 69.7 | Low | 68 Ų | 68 | 77.5 Ų | 77.5 | 56% | 0.562 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68.9 | -47.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A438 S439 N444 C445 | A438-A442 WeakPolarHBondContact O-CB 3.38Å; A438-A442 PolarHBondContact O-N 3.03Å; S439-A442 PolarHBondContact O-N 2.96Å; A442-N444 PolarHBondContact O-N 3.06Å; A442-C445 VanDerWaalsContact O-CB 3.22Å; A442-C445 WeakPolarHBondContact O-CB 3.44Å; A442-C445 PolarHBondContact O-N 3.42Å |
| 443 | Q | 71.6 | Confident | 72 | Confident | 144 Ų | 144 | 72.3 Ų | 72.3 | 67% | 0.673 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61 | -32.8 | 178.3 | -71.1 | 171.5 | 37.9 | 0 | 0 | 112.5 | S439 | S439-Q443 WeakPolarHBondContact O-CB 3.45Å; S439-Q443 VanDerWaalsContact O-CG 3.23Å; S439-Q443 WeakPolarHBondContact O-CG 3.42Å; S439-Q443 PolarHBondContact O-N 3.35Å; S439-Q443 PolarHBondContact OG-NE2 3.46Å; S439-Q443 VanDerWaalsContact OG-NE2 3.08Å |
| 444 | N | 75.8 | Confident | 74.5 | Confident | 62 Ų | 62 | 68.7 Ų | 68.7 | 33% | 0.332 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 19 | 179.5 | -63.5 | -86.9 | 0 | 0 | 0 | 113.2 | E440 L441 A442 E446 F447 Y448 | E440-N444 WeakPolarHBondContact O-CB 3.34Å; E440-N444 PolarHBondContact O-N 2.99Å; E440-N444 VanDerWaalsContact O-N 3.15Å; E440-N444 PolarHBondContact O-ND2 2.91Å; L441-N444 CarbonylContact O-C 3.56Å; A442-N444 PolarHBondContact O-N 3.06Å; N444-E446 PolarHBondContact O-N 3.36Å; N444-F447 PolarHBondContact O-N 3.06Å; N444-Y448 HydrophobicContact CB-CD2 3.68Å; N444-Y448 HydrophobicContact CB-CE2 3.54Å; N444-Y448 VanDerWaalsContact O-CD2 3.3Å; N444-Y448 WeakPolarHBondContact O-CD2 3.44Å; N444-Y448 PolarHBondContact O-N 3.39Å |
| 445 | C | 75.5 | Confident | 76.9 | Confident | 47 Ų | 47 | 65 Ų | 65 | 32% | 0.318 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -53.1 | -57.7 | -173.5 | 174.3 | 0 | 0 | 0 | 0 | 112.3 | L441 A442 F447 Y448 K449 | L441-C445 VanDerWaalsContact O-CA 3.28Å; L441-C445 WeakPolarHBondContact O-CA 3.42Å; L441-C445 PolarHBondContact O-N 3.13Å; A442-C445 VanDerWaalsContact O-CB 3.22Å; A442-C445 WeakPolarHBondContact O-CB 3.44Å; A442-C445 PolarHBondContact O-N 3.42Å; C445-F447 VanDerWaalsContact C-N 3.3Å; C445-F447 PolarHBondContact O-N 3.17Å; C445-Y448 PolarHBondContact O-N 3.04Å; C445-K449 WeakPolarHBondContact O-CB 3.48Å; C445-K449 PolarHBondContact O-N 3.2Å |
| 446 | E | 74.8 | Confident | 78.8 | Confident | 105 Ų | 105 | 66 Ų | 66 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.8 | -29.2 | -177 | -61.5 | -58.1 | 110 | 0 | 0 | 112.8 | N444 K449 N450 | N444-E446 PolarHBondContact O-N 3.36Å; E446-K449 WeakPolarHBondContact OE1-CD 3.45Å; E446-K449 IonicContact OE1-NZ 2.8Å; E446-K449 PolarHBondContact OE1-NZ 3.42Å; E446-K449 WeakPolarHBondContact OE2-CD 3.43Å; E446-K449 IonicContact OE2-NZ 3.15Å; E446-K449 PolarHBondContact OE2-NZ 3.12Å; E446-N450 WeakPolarHBondContact O-CB 3.4Å; E446-N450 PolarHBondContact O-N 2.82Å |
| 447 | F | 83.6 | Confident | 79.8 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.4 | -52.5 | 173 | 178.1 | -98.6 | 0 | 0 | 0 | 110.8 | N444 C445 K449 N450 A451 V453 | N444-F447 PolarHBondContact O-N 3.06Å; C445-F447 VanDerWaalsContact C-N 3.3Å; C445-F447 PolarHBondContact O-N 3.17Å; F447-K449 PolarHBondContact O-N 3.17Å; F447-N450 PolarHBondContact O-N 3.1Å; F447-A451 HydrophobicContact CD2-CB 4.36Å; F447-A451 HydrophobicContact CE1-CB 4.44Å; F447-A451 HydrophobicContact CE2-CB 4.08Å; F447-A451 HydrophobicContact CZ-CB 4.12Å; F447-A451 WeakPolarHBondContact O-CB 3.16Å; F447-A451 PolarHBondContact O-N 3.13Å; F447-V453 HydrophobicContact CE1-CB 4.43Å; F447-V453 HydrophobicContact CZ-CG2 4.2Å |
| 448 | Y | 85.6 | Confident | 80.9 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 8% | 0.082 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.2 | -30.2 | -178.5 | -76.9 | -55.8 | 0 | 0 | 0 | 113.9 | L441 N444 C445 N450 P455 P456 F488 A489 | L441-Y448 HydrophobicContact CD1-CD2 3.8Å; L441-Y448 HydrophobicContact CD1-CE2 4.43Å; L441-Y448 HydrophobicContact CD1-CG 4.42Å; N444-Y448 HydrophobicContact CB-CD2 3.68Å; N444-Y448 HydrophobicContact CB-CE2 3.54Å; N444-Y448 VanDerWaalsContact O-CD2 3.3Å; N444-Y448 WeakPolarHBondContact O-CD2 3.44Å; N444-Y448 PolarHBondContact O-N 3.39Å; C445-Y448 PolarHBondContact O-N 3.04Å; Y448-N450 VanDerWaalsContact C-N 3.31Å; Y448-N450 PolarHBondContact O-N 2.86Å; Y448-P455 HydrophobicContact CD1-CB 4.48Å; Y448-P455 HydrophobicContact CD1-CG 4.28Å; Y448-P455 HydrophobicContact CE1-CB 4.24Å; Y448-P455 HydrophobicContact CE1-CG 4.47Å; Y448-P456 WeakPolarHBondContact OH-CD 3.43Å; Y448-F488 HydrophobicContact CD1-CD1 4.27Å; Y448-F488 HydrophobicContact CD1-CE1 4.38Å; Y448-F488 HydrophobicContact CG-CD1 4.12Å; Y448-F488 HydrophobicContact CG-CE1 4.05Å; Y448-F488 CarbonylContact O-C 3.56Å; Y448-F488 WeakPolarHBondContact O-CA 3.48Å; Y448-A489 PolarHBondContact O-N 3.48Å |
| 449 | K | 84.4 | Confident | 82.2 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.7 | -26.1 | 176.3 | -179.4 | -167.6 | 177.4 | -170.8 | 0 | 113.3 | C445 E446 F447 R492 | C445-K449 WeakPolarHBondContact O-CB 3.48Å; C445-K449 PolarHBondContact O-N 3.2Å; E446-K449 WeakPolarHBondContact OE1-CD 3.45Å; E446-K449 IonicContact OE1-NZ 2.8Å; E446-K449 PolarHBondContact OE1-NZ 3.42Å; E446-K449 WeakPolarHBondContact OE2-CD 3.43Å; E446-K449 IonicContact OE2-NZ 3.15Å; E446-K449 PolarHBondContact OE2-NZ 3.12Å; F447-K449 PolarHBondContact O-N 3.17Å; K449-R492 VanDerWaalsContact O-CZ 3.31Å; K449-R492 PolarHBondContact O-NH1 2.93Å; K449-R492 PolarHBondContact O-NH2 2.99Å |
| 450 | N | 81.4 | Confident | 83.2 | Confident | 107 Ų | 107 | 64.8 Ų | 64.8 | 57% | 0.572 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -117.6 | -26.6 | -173.1 | -68.1 | 35.7 | 0 | 0 | 0 | 114.2 | E446 F447 Y448 | E446-N450 WeakPolarHBondContact O-CB 3.4Å; E446-N450 PolarHBondContact O-N 2.82Å; F447-N450 PolarHBondContact O-N 3.1Å; Y448-N450 VanDerWaalsContact C-N 3.31Å; Y448-N450 PolarHBondContact O-N 2.86Å |
| 451 | A | 83.4 | Confident | 84.1 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -93.2 | 132.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F447 V453 | F447-A451 HydrophobicContact CD2-CB 4.36Å; F447-A451 HydrophobicContact CE1-CB 4.44Å; F447-A451 HydrophobicContact CE2-CB 4.08Å; F447-A451 HydrophobicContact CZ-CB 4.12Å; F447-A451 WeakPolarHBondContact O-CB 3.16Å; F447-A451 PolarHBondContact O-N 3.13Å; A451-V453 HydrophobicContact CB-CG2 4.08Å; A451-V453 PolarHBondContact O-N 3Å |
| 452 | D | 83.4 | Confident | 84.9 | Confident | 72 Ų | 72 | 62.5 Ų | 62.5 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | trans | -73.9 | 35.1 | 176.5 | -71.4 | -47 | 0 | 0 | 0 | 113.4 | A489 Y490 R493 | D452-A489 WeakPolarHBondContact OD1-CB 3.46Å; D452-Y490 WeakPolarHBondContact O-CD2 3.47Å; D452-R493 IonicContact OD1-CZ 3.68Å; D452-R493 IonicContact OD1-NH1 2.79Å; D452-R493 PolarHBondContact OD1-NH1 3.34Å; D452-R493 IonicContact OD1-NH2 3.78Å; D452-R493 IonicContact OD2-CZ 3.63Å; D452-R493 IonicContact OD2-NH1 2.71Å; D452-R493 PolarHBondContact OD2-NH1 2.86Å; D452-R493 IonicContact OD2-NH2 2.84Å; D452-R493 PolarHBondContact OD2-NH2 3.01Å | ||
| 453 | V | 86 | Confident | 85.9 | Confident | 73 Ų | 73 | 59.2 Ų | 59.2 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 129 | -179.1 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | F447 A451 P455 | F447-V453 HydrophobicContact CE1-CB 4.43Å; F447-V453 HydrophobicContact CZ-CG2 4.2Å; A451-V453 HydrophobicContact CB-CG2 4.08Å; A451-V453 PolarHBondContact O-N 3Å; V453-P455 WeakPolarHBondContact O-CD 3.48Å |
| 454 | R | 87.1 | Confident | 87.1 | Confident | 149 Ų | 149 | 54.7 Ų | 54.7 | 56% | 0.562 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 125.6 | 173.8 | -178.7 | 174.9 | 171.4 | 175.8 | -2.9 | 110 | Y490 | R454-Y490 HydrophobicContact CB-CD1 4.04Å; R454-Y490 HydrophobicContact CB-CD2 4.11Å; R454-Y490 HydrophobicContact CB-CE1 3.82Å; R454-Y490 HydrophobicContact CB-CE2 3.9Å; R454-Y490 HydrophobicContact CB-CG 4.18Å; R454-Y490 HydrophobicContact CG-CD1 4.15Å; R454-Y490 HydrophobicContact CG-CE1 3.72Å |
| 455 | P | 88.1 | Confident | 87.9 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 145.9 | 179.6 | -23.1 | 34.3 | 0 | 0 | 0 | 112.5 | Y448 V453 F457 F488 F491 | Y448-P455 HydrophobicContact CD1-CB 4.48Å; Y448-P455 HydrophobicContact CD1-CG 4.28Å; Y448-P455 HydrophobicContact CE1-CB 4.24Å; Y448-P455 HydrophobicContact CE1-CG 4.47Å; V453-P455 WeakPolarHBondContact O-CD 3.48Å; P455-F457 HydrophobicContact CB-CD2 3.88Å; P455-F457 PolarHBondContact O-N 3.33Å; P455-F488 HydrophobicContact CB-CD1 4.24Å; P455-F488 HydrophobicContact CB-CE1 3.86Å; P455-F488 HydrophobicContact CB-CZ 4.43Å; P455-F488 HydrophobicContact CG-CD1 3.18Å; P455-F488 HydrophobicContact CG-CD2 4.47Å; P455-F488 HydrophobicContact CG-CE1 3.27Å; P455-F488 HydrophobicContact CG-CG 3.85Å; P455-F488 HydrophobicContact CG-CZ 3.99Å; P455-F491 HydrophobicContact CG-CE2 4.29Å |
| 456 | P | 88 | Confident | 88.9 | Confident | 91 Ų | 91 | 50.6 Ų | 50.6 | 59% | 0.591 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -75.9 | 29.3 | 179.8 | 34.1 | -37.4 | 0 | 0 | 0 | 113.3 | Y448 | Y448-P456 WeakPolarHBondContact OH-CD 3.43Š|
| 457 | F | 89.6 | Confident | 89.9 | Confident | 31 Ų | 31 | 45.6 Ų | 45.6 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -119.8 | 147.1 | -174.9 | -56 | -64 | 0 | 0 | 0 | 111.6 | I437 E440 P455 L462 | I437-F457 HydrophobicContact CG1-CE1 4.37Å; I437-F457 HydrophobicContact CG2-CD1 4.26Å; I437-F457 HydrophobicContact CG2-CE1 4.14Å; I437-F457 HydrophobicContact CG2-CZ 4.34Å; E440-F457 HydrophobicContact CB-CZ 4.46Å; E440-F457 HydrophobicContact CG-CZ 4.18Å; P455-F457 HydrophobicContact CB-CD2 3.88Å; P455-F457 PolarHBondContact O-N 3.33Å; F457-L462 HydrophobicContact CB-CD1 4.32Å; F457-L462 HydrophobicContact CB-CD2 3.83Å; F457-L462 HydrophobicContact CB-CG 3.82Å; F457-L462 HydrophobicContact CD2-CD2 3.98Å; F457-L462 HydrophobicContact CG-CD2 4.22Å |
| 458 | T | 93.8 | Very high | 90.3 | Very high | 89 Ų | 89 | 43.9 Ų | 43.9 | 55% | 0.546 | 22% | 0.224 | S | C | . | . | trans | -72.4 | 150.9 | 173.1 | 58.4 | 0 | 0 | 0 | 0 | 111.3 | A460 S461 L462 | T458-A460 VanDerWaalsContact C-N 3.29Å; T458-A460 PolarHBondContact O-N 2.69Å; T458-S461 WeakPolarHBondContact O-CB 3.41Å; T458-S461 PolarHBondContact O-N 3.41Å; T458-S461 WeakPolarHBondContact OG1-CB 3.46Å; T458-S461 PolarHBondContact OG1-N 3.13Å; T458-S461 PolarHBondContact OG1-OG 3.17Å; T458-L462 PolarHBondContact O-N 3.05Å | ||
| 459 | Y | 94.9 | Very high | 90.5 | Very high | 47 Ų | 47 | 47.3 Ų | 47.3 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -52.7 | -46.2 | 175.3 | -76.5 | -68 | 0 | 0 | 0 | 111.7 | S461 L462 I463 F484 F491 W498 V502 N505 | Y459-S461 VanDerWaalsContact C-N 3.29Å; Y459-S461 PolarHBondContact O-N 3.42Å; Y459-L462 PolarHBondContact O-N 3.2Å; Y459-L462 VanDerWaalsContact O-N 3.16Å; Y459-I463 WeakPolarHBondContact O-CB 3.46Å; Y459-I463 WeakPolarHBondContact O-CD1 3.34Å; Y459-I463 WeakPolarHBondContact O-CG1 3.39Å; Y459-I463 PolarHBondContact O-N 3.43Å; Y459-F484 AromaticContact CD1-CE1 3.73Å; Y459-F484 HydrophobicContact CD1-CE1 3.73Å; Y459-F484 HydrophobicContact CD1-CZ 4.07Å; Y459-F484 AromaticContact CE1-CE1 3.94Å; Y459-F484 HydrophobicContact CE1-CE1 3.94Å; Y459-F491 AromaticContact CE1-CE1 3.92Å; Y459-F491 HydrophobicContact CE1-CE1 3.92Å; Y459-F491 HydrophobicContact CE1-CZ 4.09Å; Y459-W498 HydrophobicContact CE1-CB 4.31Å; Y459-W498 WeakPolarHBondContact OH-CB 3.3Å; Y459-V502 HydrophobicContact CD1-CG2 3.97Å; Y459-V502 HydrophobicContact CE1-CG2 4.24Å; Y459-N505 WeakPolarHBondContact CB-OD1 3.36Å |
| 460 | A | 93.9 | Very high | 90.9 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.2 | -38.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T458 R464 N505 F512 | T458-A460 VanDerWaalsContact C-N 3.29Å; T458-A460 PolarHBondContact O-N 2.69Å; A460-R464 VanDerWaalsContact O-CB 3.28Å; A460-R464 WeakPolarHBondContact O-CB 3.23Å; A460-R464 PolarHBondContact O-N 3.18Å; A460-N505 PolarHBondContact N-OD1 3.06Å; A460-F512 HydrophobicContact CB-CE2 4.15Å; A460-F512 HydrophobicContact CB-CZ 4.24Å; A460-F512 WeakPolarHBondContact O-CZ 3.29Å |
| 461 | S | 93.3 | Very high | 91.4 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.3 | -38.8 | 176.9 | -62.6 | 0 | 0 | 0 | 0 | 112.5 | T458 Y459 H465 Y530 | T458-S461 WeakPolarHBondContact O-CB 3.41Å; T458-S461 PolarHBondContact O-N 3.41Å; T458-S461 WeakPolarHBondContact OG1-CB 3.46Å; T458-S461 PolarHBondContact OG1-N 3.13Å; T458-S461 PolarHBondContact OG1-OG 3.17Å; Y459-S461 VanDerWaalsContact C-N 3.29Å; Y459-S461 PolarHBondContact O-N 3.42Å; S461-H465 PolarHBondContact O-N 3.4Å; S461-H465 VanDerWaalsContact O-N 3.09Å; S461-Y530 PolarHBondContact OG-OH 3.39Å |
| 462 | L | 94.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.4 | -45.8 | 177.1 | -69.3 | 177.6 | 0 | 0 | 0 | 112.3 | F457 T458 Y459 R464 H465 A466 W483 F484 F488 F491 | F457-L462 HydrophobicContact CB-CD1 4.32Å; F457-L462 HydrophobicContact CB-CD2 3.83Å; F457-L462 HydrophobicContact CB-CG 3.82Å; F457-L462 HydrophobicContact CD2-CD2 3.98Å; F457-L462 HydrophobicContact CG-CD2 4.22Å; T458-L462 PolarHBondContact O-N 3.05Å; Y459-L462 PolarHBondContact O-N 3.2Å; Y459-L462 VanDerWaalsContact O-N 3.16Å; L462-R464 PolarHBondContact O-N 2.67Å; L462-H465 PolarHBondContact O-N 3.18Å; L462-H465 VanDerWaalsContact O-N 3.15Å; L462-A466 PolarHBondContact O-N 3.01Å; L462-W483 HydrophobicContact CB-CZ3 4.17Å; L462-W483 HydrophobicContact CD2-CH2 4.22Å; L462-W483 HydrophobicContact CD2-CZ3 4.4Å; L462-F484 HydrophobicContact CB-CE1 4.23Å; L462-F484 HydrophobicContact CB-CE2 4.17Å; L462-F484 HydrophobicContact CB-CZ 3.56Å; L462-F484 HydrophobicContact CD1-CE1 3.97Å; L462-F484 HydrophobicContact CD1-CZ 4.16Å; L462-F488 HydrophobicContact CD1-CE2 4.4Å; L462-F488 HydrophobicContact CD2-CE2 3.96Å; L462-F488 HydrophobicContact CD2-CZ 3.65Å; L462-F491 HydrophobicContact CD1-CE2 4.23Å; L462-F491 HydrophobicContact CD1-CZ 4.45Å |
| 463 | I | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 176.7 | -65.9 | 162.5 | 0 | 0 | 0 | 110.2 | Y459 H465 A466 I467 I480 F484 V502 N505 L506 F512 | Y459-I463 WeakPolarHBondContact O-CB 3.46Å; Y459-I463 WeakPolarHBondContact O-CD1 3.34Å; Y459-I463 WeakPolarHBondContact O-CG1 3.39Å; Y459-I463 PolarHBondContact O-N 3.43Å; I463-H465 VanDerWaalsContact C-N 3.32Å; I463-H465 PolarHBondContact O-N 3.14Å; I463-A466 PolarHBondContact O-N 3.45Å; I463-I467 HydrophobicContact CG2-CD1 3.88Å; I463-I467 WeakPolarHBondContact O-CG1 3.45Å; I463-I467 PolarHBondContact O-N 2.96Å; I463-I480 HydrophobicContact CG1-CG2 4.36Å; I463-I480 HydrophobicContact CG2-CD1 4.43Å; I463-F484 HydrophobicContact CG1-CE2 3.94Å; I463-F484 HydrophobicContact CG1-CZ 3.99Å; I463-V502 HydrophobicContact CD1-CB 4.43Å; I463-V502 HydrophobicContact CD1-CG1 4.06Å; I463-V502 HydrophobicContact CD1-CG2 4.39Å; I463-V502 HydrophobicContact CG1-CG1 4.37Å; I463-N505 HydrophobicContact CD1-CB 3.73Å; I463-L506 HydrophobicContact CD1-CG 4.46Å; I463-L506 HydrophobicContact CG2-CD2 3.66Å; I463-L506 HydrophobicContact CG2-CG 4.45Å; I463-F512 HydrophobicContact CB-CE1 4.1Å; I463-F512 HydrophobicContact CB-CZ 3.87Å; I463-F512 HydrophobicContact CG2-CD1 3.97Å; I463-F512 HydrophobicContact CG2-CE1 3.51Å; I463-F512 HydrophobicContact CG2-CE2 4.29Å; I463-F512 HydrophobicContact CG2-CZ 3.7Å |
| 464 | R | 95.1 | Very high | 92.6 | Very high | 49 Ų | 49 | 52.4 Ų | 52.4 | 19% | 0.185 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 173.8 | 171.8 | 175.9 | 174 | -72.9 | 3.8 | 111.8 | A460 L462 L468 F512 V525 E527 Y530 | A460-R464 VanDerWaalsContact O-CB 3.28Å; A460-R464 WeakPolarHBondContact O-CB 3.23Å; A460-R464 PolarHBondContact O-N 3.18Å; L462-R464 PolarHBondContact O-N 2.67Å; R464-L468 HydrophobicContact CG-CD1 3.67Å; R464-L468 HydrophobicContact CG-CG 4.3Å; R464-L468 WeakPolarHBondContact O-CB 3.33Å; R464-L468 WeakPolarHBondContact O-CG 3.41Å; R464-L468 PolarHBondContact O-N 3.28Å; R464-F512 HydrophobicContact CB-CE1 4.27Å; R464-V525 HydrophobicContact CB-CG2 4.39Å; R464-V525 HydrophobicContact CG-CG1 4.13Å; R464-V525 HydrophobicContact CG-CG2 4.34Å; R464-E527 IonicContact CZ-OE1 3.45Å; R464-E527 IonicContact CZ-OE2 3.28Å; R464-E527 IonicContact NE-OE1 3.18Å; R464-E527 IonicContact NE-OE2 3.39Å; R464-E527 PolarHBondContact NE-OE2 3.29Å; R464-E527 IonicContact NH2-OE1 2.71Å; R464-E527 PolarHBondContact NH2-OE1 3.29Å; R464-E527 IonicContact NH2-OE2 3.54Å; R464-E527 PolarHBondContact NH2-OE2 3.48Å; R464-Y530 HydrophobicContact CB-CE2 4.38Å; R464-Y530 VanDerWaalsContact CD-CD1 3.45Å; R464-Y530 VanDerWaalsContact CD-CZ 3.47Å |
| 465 | H | 94.3 | Very high | 93 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 10% | 0.097 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -44.2 | 178.9 | -174.2 | 1.6 | 0 | 0 | 0 | 111.6 | A438 S461 L462 I463 I467 L468 E469 W483 | A438-H465 WeakPolarHBondContact CA-NE2 3.45Å; S461-H465 PolarHBondContact O-N 3.4Å; S461-H465 VanDerWaalsContact O-N 3.09Å; L462-H465 PolarHBondContact O-N 3.18Å; L462-H465 VanDerWaalsContact O-N 3.15Å; I463-H465 VanDerWaalsContact C-N 3.32Å; I463-H465 PolarHBondContact O-N 3.14Å; H465-I467 VanDerWaalsContact C-N 3.35Å; H465-I467 PolarHBondContact O-N 3.47Å; H465-L468 PolarHBondContact O-N 3.5Å; H465-E469 IonicContact CE1-OE2 2.76Å; H465-E469 VanDerWaalsContact O-CB 3.26Å; H465-E469 WeakPolarHBondContact O-CB 3.49Å; H465-E469 PolarHBondContact O-N 3.19Å; H465-W483 HydrophobicContact CB-CH2 4.44Å; H465-W483 HydrophobicContact CB-CZ2 4.47Å |
| 466 | A | 95.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55 | -49.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L462 I463 E469 S470 L475 W483 | L462-A466 PolarHBondContact O-N 3.01Å; I463-A466 PolarHBondContact O-N 3.45Å; A466-E469 PolarHBondContact O-N 3.18Å; A466-S470 PolarHBondContact O-N 3.22Å; A466-L475 HydrophobicContact CB-CD1 4.13Å; A466-L475 WeakPolarHBondContact O-CD1 3.48Å; A466-W483 HydrophobicContact CB-CB 4.21Å; A466-W483 HydrophobicContact CB-CD2 3.4Å; A466-W483 HydrophobicContact CB-CE3 3.64Å; A466-W483 HydrophobicContact CB-CG 3.66Å; A466-W483 HydrophobicContact CB-CH2 4.38Å; A466-W483 HydrophobicContact CB-CZ2 4.19Å; A466-W483 HydrophobicContact CB-CZ3 4.11Å |
| 467 | I | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.2 | -42 | -179.8 | -63.2 | 166.7 | 0 | 0 | 0 | 111 | I463 H465 E469 S470 R473 L475 I480 F512 W523 V525 | I463-I467 HydrophobicContact CG2-CD1 3.88Å; I463-I467 WeakPolarHBondContact O-CG1 3.45Å; I463-I467 PolarHBondContact O-N 2.96Å; H465-I467 VanDerWaalsContact C-N 3.35Å; H465-I467 PolarHBondContact O-N 3.47Å; I467-E469 VanDerWaalsContact C-N 3.32Å; I467-E469 PolarHBondContact O-N 2.8Å; I467-S470 WeakPolarHBondContact O-CB 3.47Å; I467-S470 PolarHBondContact O-N 3.1Å; I467-S470 PolarHBondContact O-OG 2.92Å; I467-R473 WeakPolarHBondContact CG2-O 3.33Å; I467-R473 WeakPolarHBondContact O-CA 3.46Å; I467-L475 HydrophobicContact CG1-CB 4.31Å; I467-L475 HydrophobicContact CG1-CD1 4.38Å; I467-L475 HydrophobicContact CG1-CG 4.5Å; I467-I480 HydrophobicContact CD1-CD1 4.16Å; I467-I480 HydrophobicContact CG1-CD1 4.26Å; I467-I480 HydrophobicContact CG1-CG1 4.48Å; I467-F512 HydrophobicContact CD1-CD1 4.17Å; I467-F512 HydrophobicContact CD1-CE1 4.43Å; I467-W523 HydrophobicContact CD1-CB 4.19Å; I467-V525 HydrophobicContact CB-CG2 3.85Å; I467-V525 HydrophobicContact CD1-CG2 3.8Å; I467-V525 HydrophobicContact CG1-CG2 4.43Å; I467-V525 HydrophobicContact CG2-CG2 3.83Å |
| 468 | L | 92.6 | Very high | 94.1 | Very high | 47 Ų | 47 | 49 Ų | 49 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -76.9 | -13.3 | 179.1 | -66.8 | 177.4 | 0 | 0 | 0 | 114.9 | R464 H465 R473 | R464-L468 HydrophobicContact CG-CD1 3.67Å; R464-L468 HydrophobicContact CG-CG 4.3Å; R464-L468 WeakPolarHBondContact O-CB 3.33Å; R464-L468 WeakPolarHBondContact O-CG 3.41Å; R464-L468 PolarHBondContact O-N 3.28Å; H465-L468 PolarHBondContact O-N 3.5Å; L468-R473 PolarHBondContact O-NH1 3.45Å |
| 469 | E | 91 | Very high | 94.2 | Very high | 94 Ų | 94 | 48.9 Ų | 48.9 | 44% | 0.439 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -83.7 | -17.8 | 169.9 | -175.3 | 170.9 | -155.8 | 0 | 0 | 111.9 | H465 A466 I467 W483 K487 | H465-E469 IonicContact CE1-OE2 2.76Å; H465-E469 VanDerWaalsContact O-CB 3.26Å; H465-E469 WeakPolarHBondContact O-CB 3.49Å; H465-E469 PolarHBondContact O-N 3.19Å; A466-E469 PolarHBondContact O-N 3.18Å; I467-E469 VanDerWaalsContact C-N 3.32Å; I467-E469 PolarHBondContact O-N 2.8Å; E469-W483 PolarHBondContact OE2-NE1 2.86Å; E469-K487 IonicContact OE1-NZ 3.75Å; E469-K487 PolarHBondContact OE1-NZ 3.08Å; E469-K487 IonicContact OE2-NZ 3.85Å; E469-K487 PolarHBondContact OE2-NZ 3.42Å |
| 470 | S | 92.3 | Very high | 94.2 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -72.4 | 144.2 | 169.7 | 77.7 | 0 | 0 | 0 | 0 | 111.4 | A466 I467 D472 R473 Q474 | A466-S470 PolarHBondContact O-N 3.22Å; I467-S470 WeakPolarHBondContact O-CB 3.47Å; I467-S470 PolarHBondContact O-N 3.1Å; I467-S470 PolarHBondContact O-OG 2.92Å; S470-D472 VanDerWaalsContact C-N 3.35Å; S470-D472 PolarHBondContact O-N 3.35Å; S470-R473 PolarHBondContact O-N 3.41Å; S470-R473 WeakPolarHBondContact OG-CA 3.42Å; S470-R473 PolarHBondContact OG-N 3Å; S470-Q474 PolarHBondContact OG-N 2.99Å; S470-Q474 VanDerWaalsContact OG-N 3.13Å; S470-Q474 PolarHBondContact OG-O 3.28Å |
| 471 | P | 90.7 | Very high | 94.3 | Very high | 118 Ų | 118 | 47.1 Ų | 47.1 | 77% | 0.766 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -43.6 | -179.2 | 24.8 | -33.2 | 0 | 0 | 0 | 111.6 | R473 | P471-R473 PolarHBondContact O-N 3.38Š|
| 472 | D | 91.1 | Very high | 94.4 | Very high | 116 Ų | 116 | 49.8 Ų | 49.8 | 62% | 0.62 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -1 | -176.5 | -57.5 | -15 | 0 | 0 | 0 | 113.4 | S470 Q474 | S470-D472 VanDerWaalsContact C-N 3.35Å; S470-D472 PolarHBondContact O-N 3.35Å; D472-Q474 HydrophobicContact CB-CG 3.72Å; D472-Q474 PolarHBondContact O-N 3.02Å; D472-Q474 VanDerWaalsContact O-N 3.16Å |
| 473 | R | 92.9 | Very high | 94.4 | Very high | 148 Ų | 148 | 50.3 Ų | 50.3 | 56% | 0.558 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 54.2 | 28 | -174.5 | -50.9 | -162.4 | 175.7 | -67.2 | -2.7 | 114.6 | I467 L468 S470 P471 | I467-R473 WeakPolarHBondContact CG2-O 3.33Å; I467-R473 WeakPolarHBondContact O-CA 3.46Å; L468-R473 PolarHBondContact O-NH1 3.45Å; S470-R473 PolarHBondContact O-N 3.41Å; S470-R473 WeakPolarHBondContact OG-CA 3.42Å; S470-R473 PolarHBondContact OG-N 3Å; P471-R473 PolarHBondContact O-N 3.38Å |
| 474 | Q | 94.6 | Very high | 94.4 | Very high | 52 Ų | 52 | 50.3 Ų | 50.3 | 24% | 0.243 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 141.2 | -178.5 | 71 | -168.4 | -6.7 | 0 | 0 | 109.7 | S470 D472 V522 W523 T524 | S470-Q474 PolarHBondContact OG-N 2.99Å; S470-Q474 VanDerWaalsContact OG-N 3.13Å; S470-Q474 PolarHBondContact OG-O 3.28Å; D472-Q474 HydrophobicContact CB-CG 3.72Å; D472-Q474 PolarHBondContact O-N 3.02Å; D472-Q474 VanDerWaalsContact O-N 3.16Å; Q474-V522 HydrophobicContact CB-CB 4.17Å; Q474-V522 HydrophobicContact CB-CG2 3.97Å; Q474-V522 HydrophobicContact CG-CB 4.4Å; Q474-V522 HydrophobicContact CG-CG1 4.49Å; Q474-V522 HydrophobicContact CG-CG2 4.23Å; Q474-W523 WeakPolarHBondContact CA-O 3.34Å; Q474-T524 HydrophobicContact CB-CG2 3.77Å |
| 475 | L | 96.1 | Very high | 94.3 | Very high | 20 Ų | 20 | 49.8 Ų | 49.8 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 142.6 | 174.6 | -70.8 | 179.6 | 0 | 0 | 0 | 111.1 | A466 I467 E479 I480 W523 | A466-L475 HydrophobicContact CB-CD1 4.13Å; A466-L475 WeakPolarHBondContact O-CD1 3.48Å; I467-L475 HydrophobicContact CG1-CB 4.31Å; I467-L475 HydrophobicContact CG1-CD1 4.38Å; I467-L475 HydrophobicContact CG1-CG 4.5Å; L475-E479 HydrophobicContact CB-CB 4.23Å; L475-E479 HydrophobicContact CD2-CB 3.92Å; L475-I480 HydrophobicContact CB-CD1 4.37Å; L475-I480 HydrophobicContact CB-CG1 3.82Å; L475-I480 HydrophobicContact CD1-CG1 4.12Å; L475-W523 PolarHBondContact N-O 3.49Å; L475-W523 PolarHBondContact O-N 3.35Å |
| 476 | T | 96.6 | Very high | 94.2 | Very high | 41 Ų | 41 | 56.8 Ų | 56.8 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | trans | -65.6 | 160.1 | 165.7 | 66.4 | 0 | 0 | 0 | 0 | 111 | N478 E479 I480 V522 | T476-N478 PolarHBondContact O-N 2.98Å; T476-E479 VanDerWaalsContact CB-OE2 3.23Å; T476-E479 WeakPolarHBondContact CB-OE2 3.37Å; T476-E479 VanDerWaalsContact CG2-OE2 3.3Å; T476-E479 WeakPolarHBondContact CG2-OE2 3.37Å; T476-E479 PolarHBondContact N-OE2 2.64Å; T476-E479 PolarHBondContact O-N 2.82Å; T476-E479 VanDerWaalsContact O-N 3.15Å; T476-E479 WeakPolarHBondContact OG1-CG 3.38Å; T476-E479 PolarHBondContact OG1-N 2.97Å; T476-E479 PolarHBondContact OG1-OE2 2.98Å; T476-I480 WeakPolarHBondContact O-CG1 3.48Å; T476-I480 PolarHBondContact O-N 3.49Å; T476-I480 VanDerWaalsContact O-N 3.07Å; T476-V522 HydrophobicContact CG2-CG1 3.99Å | ||
| 477 | L | 95.8 | Very high | 93.8 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56 | -33.6 | 174.9 | -179.4 | 60.8 | 0 | 0 | 0 | 112.6 | Y481 V502 R503 L506 | L477-Y481 HydrophobicContact CD1-CD1 4.45Å; L477-Y481 HydrophobicContact CD1-CE1 3.7Å; L477-Y481 HydrophobicContact CD1-CE2 4.42Å; L477-Y481 HydrophobicContact CD2-CE2 4.42Å; L477-Y481 HydrophobicContact CG-CE1 4.13Å; L477-Y481 HydrophobicContact CG-CE2 3.94Å; L477-Y481 VanDerWaalsContact O-CG 3.29Å; L477-Y481 PolarHBondContact O-N 3.31Å; L477-Y481 VanDerWaalsContact O-N 3.14Å; L477-V502 HydrophobicContact CD1-CG1 4.35Å; L477-R503 HydrophobicContact CD1-CG 4.21Å; L477-R503 HydrophobicContact CD2-CG 4.11Å; L477-L506 HydrophobicContact CD1-CD1 3.55Å |
| 478 | N | 95.4 | Very high | 93.7 | Very high | 97 Ų | 97 | 58.9 Ų | 58.9 | 52% | 0.519 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -72.2 | -39.7 | 178.7 | -167.2 | 47.7 | 0 | 0 | 0 | 112.1 | T476 I480 Y481 N482 | T476-N478 PolarHBondContact O-N 2.98Å; N478-I480 VanDerWaalsContact C-N 3.33Å; N478-I480 PolarHBondContact O-N 3.36Å; N478-Y481 WeakPolarHBondContact O-CB 3.49Å; N478-Y481 PolarHBondContact O-N 3.43Å; N478-N482 VanDerWaalsContact O-CG 3.25Å; N478-N482 PolarHBondContact O-N 3.2Å; N478-N482 PolarHBondContact O-ND2 2.88Å |
| 479 | E | 95.8 | Very high | 93.6 | Very high | 85 Ų | 85 | 56.8 Ų | 56.8 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.5 | -33.8 | 176.4 | -68 | 159.2 | 123.9 | 0 | 0 | 112 | L475 T476 N482 W483 | L475-E479 HydrophobicContact CB-CB 4.23Å; L475-E479 HydrophobicContact CD2-CB 3.92Å; T476-E479 VanDerWaalsContact CB-OE2 3.23Å; T476-E479 WeakPolarHBondContact CB-OE2 3.37Å; T476-E479 VanDerWaalsContact CG2-OE2 3.3Å; T476-E479 WeakPolarHBondContact CG2-OE2 3.37Å; T476-E479 PolarHBondContact N-OE2 2.64Å; T476-E479 PolarHBondContact O-N 2.82Å; T476-E479 VanDerWaalsContact O-N 3.15Å; T476-E479 WeakPolarHBondContact OG1-CG 3.38Å; T476-E479 PolarHBondContact OG1-N 2.97Å; T476-E479 PolarHBondContact OG1-OE2 2.98Å; E479-N482 CarbonylContact O-C 3.53Å; E479-N482 PolarHBondContact O-N 3.18Å; E479-W483 WeakPolarHBondContact O-CB 3.49Å; E479-W483 PolarHBondContact O-N 2.75Å |
| 480 | I | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 169.7 | -63.2 | 167.6 | 0 | 0 | 0 | 110 | I463 I467 L475 T476 N478 N482 W483 F484 V502 L506 W523 | I463-I480 HydrophobicContact CG1-CG2 4.36Å; I463-I480 HydrophobicContact CG2-CD1 4.43Å; I467-I480 HydrophobicContact CD1-CD1 4.16Å; I467-I480 HydrophobicContact CG1-CD1 4.26Å; I467-I480 HydrophobicContact CG1-CG1 4.48Å; L475-I480 HydrophobicContact CB-CD1 4.37Å; L475-I480 HydrophobicContact CB-CG1 3.82Å; L475-I480 HydrophobicContact CD1-CG1 4.12Å; T476-I480 WeakPolarHBondContact O-CG1 3.48Å; T476-I480 PolarHBondContact O-N 3.49Å; T476-I480 VanDerWaalsContact O-N 3.07Å; N478-I480 VanDerWaalsContact C-N 3.33Å; N478-I480 PolarHBondContact O-N 3.36Å; I480-N482 VanDerWaalsContact C-N 3.34Å; I480-N482 PolarHBondContact O-N 3.31Å; I480-W483 PolarHBondContact O-N 2.72Å; I480-F484 HydrophobicContact CG2-CD2 4.08Å; I480-F484 HydrophobicContact CG2-CE2 4.03Å; I480-F484 VanDerWaalsContact O-CD2 3.32Å; I480-F484 WeakPolarHBondContact O-CD2 3.27Å; I480-F484 PolarHBondContact O-N 3.25Å; I480-V502 HydrophobicContact CG2-CG1 3.95Å; I480-L506 HydrophobicContact CD1-CD1 4.26Å; I480-L506 HydrophobicContact CD1-CD2 4.33Å; I480-W523 HydrophobicContact CD1-CB 4.2Å; I480-W523 HydrophobicContact CD1-CG 4.46Å |
| 481 | Y | 96 | Very high | 93.5 | Very high | 21 Ų | 21 | 56 Ų | 56 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 173.9 | -62.1 | -23.4 | 0 | 0 | 0 | 112.3 | L477 N478 W483 F484 T485 W498 K499 V502 R503 | L477-Y481 HydrophobicContact CD1-CD1 4.45Å; L477-Y481 HydrophobicContact CD1-CE1 3.7Å; L477-Y481 HydrophobicContact CD1-CE2 4.42Å; L477-Y481 HydrophobicContact CD2-CE2 4.42Å; L477-Y481 HydrophobicContact CG-CE1 4.13Å; L477-Y481 HydrophobicContact CG-CE2 3.94Å; L477-Y481 VanDerWaalsContact O-CG 3.29Å; L477-Y481 PolarHBondContact O-N 3.31Å; L477-Y481 VanDerWaalsContact O-N 3.14Å; N478-Y481 WeakPolarHBondContact O-CB 3.49Å; N478-Y481 PolarHBondContact O-N 3.43Å; Y481-W483 VanDerWaalsContact C-N 3.31Å; Y481-W483 PolarHBondContact O-N 3.06Å; Y481-F484 PolarHBondContact O-N 3.12Å; Y481-T485 PolarHBondContact O-N 3.23Å; Y481-T485 VanDerWaalsContact O-N 3.14Å; Y481-T485 PolarHBondContact O-OG1 3.35Å; Y481-W498 HydrophobicContact CD1-CH2 4.24Å; Y481-W498 AromaticContact CD1-CZ3 3.78Å; Y481-W498 HydrophobicContact CD1-CZ3 3.78Å; Y481-W498 HydrophobicContact CG-CH2 4.39Å; Y481-W498 HydrophobicContact CG-CZ3 4.38Å; Y481-K499 HydrophobicContact CD1-CB 4.46Å; Y481-K499 HydrophobicContact CD1-CD 4.45Å; Y481-K499 HydrophobicContact CD1-CG 3.86Å; Y481-K499 HydrophobicContact CD2-CD 4.09Å; Y481-K499 HydrophobicContact CD2-CG 4.38Å; Y481-K499 HydrophobicContact CE1-CB 3.85Å; Y481-K499 HydrophobicContact CE1-CD 4.4Å; Y481-K499 HydrophobicContact CE1-CG 3.73Å; Y481-K499 HydrophobicContact CE2-CD 4.03Å; Y481-K499 HydrophobicContact CE2-CG 4.27Å; Y481-K499 HydrophobicContact CG-CD 4.29Å; Y481-K499 HydrophobicContact CG-CG 4.17Å; Y481-V502 HydrophobicContact CD1-CG1 4.35Å; Y481-V502 HydrophobicContact CE1-CB 4.26Å; Y481-V502 HydrophobicContact CE1-CG1 3.98Å; Y481-R503 WeakPolarHBondContact OH-CD 3.49Å; Y481-R503 VanDerWaalsContact OH-CG 3.26Å; Y481-R503 WeakPolarHBondContact OH-CG 3.4Å; Y481-R503 PolarHBondContact OH-NH1 3.26Å |
| 482 | N | 95.1 | Very high | 93.6 | Very high | 72 Ų | 72 | 56 Ų | 56 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71.2 | -23.3 | 179.7 | -66.6 | -19.7 | 0 | 0 | 0 | 113 | N478 E479 I480 T485 R486 | N478-N482 VanDerWaalsContact O-CG 3.25Å; N478-N482 PolarHBondContact O-N 3.2Å; N478-N482 PolarHBondContact O-ND2 2.88Å; E479-N482 CarbonylContact O-C 3.53Å; E479-N482 PolarHBondContact O-N 3.18Å; I480-N482 VanDerWaalsContact C-N 3.34Å; I480-N482 PolarHBondContact O-N 3.31Å; N482-T485 PolarHBondContact O-OG1 3.2Å; N482-R486 WeakPolarHBondContact O-CB 3.44Å; N482-R486 WeakPolarHBondContact O-CG 3.45Å; N482-R486 PolarHBondContact O-N 2.69Å; N482-R486 PolarHBondContact O-NE 2.95Å |
| 483 | W | 94.9 | Very high | 93.3 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.5 | -47.4 | 169.2 | -175.2 | 97.1 | 0 | 0 | 0 | 110.5 | L441 L462 H465 A466 E469 E479 I480 Y481 T485 R486 K487 F488 | L441-W483 HydrophobicContact CD2-CH2 4.07Å; L441-W483 HydrophobicContact CD2-CZ2 4.13Å; L462-W483 HydrophobicContact CB-CZ3 4.17Å; L462-W483 HydrophobicContact CD2-CH2 4.22Å; L462-W483 HydrophobicContact CD2-CZ3 4.4Å; H465-W483 HydrophobicContact CB-CH2 4.44Å; H465-W483 HydrophobicContact CB-CZ2 4.47Å; A466-W483 HydrophobicContact CB-CB 4.21Å; A466-W483 HydrophobicContact CB-CD2 3.4Å; A466-W483 HydrophobicContact CB-CE3 3.64Å; A466-W483 HydrophobicContact CB-CG 3.66Å; A466-W483 HydrophobicContact CB-CH2 4.38Å; A466-W483 HydrophobicContact CB-CZ2 4.19Å; A466-W483 HydrophobicContact CB-CZ3 4.11Å; E469-W483 PolarHBondContact OE2-NE1 2.86Å; E479-W483 WeakPolarHBondContact O-CB 3.49Å; E479-W483 PolarHBondContact O-N 2.75Å; I480-W483 PolarHBondContact O-N 2.72Å; Y481-W483 VanDerWaalsContact C-N 3.31Å; Y481-W483 PolarHBondContact O-N 3.06Å; W483-T485 PolarHBondContact O-N 3.5Å; W483-R486 PolarHBondContact O-N 3.45Å; W483-K487 HydrophobicContact CD2-CB 4.37Å; W483-K487 HydrophobicContact CE3-CB 4.49Å; W483-K487 HydrophobicContact CH2-CG 4.35Å; W483-K487 HydrophobicContact CZ2-CD 4.05Å; W483-K487 HydrophobicContact CZ2-CG 4.04Å; W483-K487 VanDerWaalsContact O-CB 3.25Å; W483-K487 WeakPolarHBondContact O-CB 3.47Å; W483-K487 PolarHBondContact O-N 3.43Å; W483-F488 HydrophobicContact CE3-CE2 4.41Å; W483-F488 AromaticContact CH2-CE2 3.92Å; W483-F488 HydrophobicContact CH2-CE2 3.92Å; W483-F488 HydrophobicContact CH2-CZ 4.35Å; W483-F488 AromaticContact CZ3-CE2 3.64Å; W483-F488 HydrophobicContact CZ3-CE2 3.64Å; W483-F488 HydrophobicContact CZ3-CZ 4.48Å |
| 484 | F | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.2 | -44.5 | 178.8 | -91.6 | -111.4 | 0 | 0 | 0 | 112.8 | Y459 L462 I463 I480 Y481 F488 F491 W498 V502 | Y459-F484 AromaticContact CD1-CE1 3.73Å; Y459-F484 HydrophobicContact CD1-CE1 3.73Å; Y459-F484 HydrophobicContact CD1-CZ 4.07Å; Y459-F484 AromaticContact CE1-CE1 3.94Å; Y459-F484 HydrophobicContact CE1-CE1 3.94Å; L462-F484 HydrophobicContact CB-CE1 4.23Å; L462-F484 HydrophobicContact CB-CE2 4.17Å; L462-F484 HydrophobicContact CB-CZ 3.56Å; L462-F484 HydrophobicContact CD1-CE1 3.97Å; L462-F484 HydrophobicContact CD1-CZ 4.16Å; I463-F484 HydrophobicContact CG1-CE2 3.94Å; I463-F484 HydrophobicContact CG1-CZ 3.99Å; I480-F484 HydrophobicContact CG2-CD2 4.08Å; I480-F484 HydrophobicContact CG2-CE2 4.03Å; I480-F484 VanDerWaalsContact O-CD2 3.32Å; I480-F484 WeakPolarHBondContact O-CD2 3.27Å; I480-F484 PolarHBondContact O-N 3.25Å; Y481-F484 PolarHBondContact O-N 3.12Å; F484-F488 PolarHBondContact O-N 3.37Å; F484-F491 HydrophobicContact CB-CB 4.42Å; F484-F491 HydrophobicContact CB-CD2 4.31Å; F484-F491 HydrophobicContact CD1-CD1 4.31Å; F484-F491 AromaticContact CD1-CD2 3.47Å; F484-F491 HydrophobicContact CD1-CD2 3.47Å; F484-F491 VanDerWaalsContact CD1-CD2 3.47Å; F484-F491 HydrophobicContact CD1-CE1 4.33Å; F484-F491 AromaticContact CD1-CE2 3.53Å; F484-F491 HydrophobicContact CD1-CE2 3.53Å; F484-F491 AromaticContact CD1-CG 3.91Å; F484-F491 HydrophobicContact CD1-CG 3.91Å; F484-F491 AromaticContact CD1-CZ 3.97Å; F484-F491 HydrophobicContact CD1-CZ 3.97Å; F484-F491 HydrophobicContact CE1-CD2 4.23Å; F484-F491 AromaticContact CE1-CE2 3.8Å; F484-F491 HydrophobicContact CE1-CE2 3.8Å; F484-F491 AromaticContact CE1-CZ 3.96Å; F484-F491 HydrophobicContact CE1-CZ 3.96Å; F484-F491 HydrophobicContact CG-CD2 4.31Å; F484-W498 HydrophobicContact CB-CE3 4.47Å; F484-W498 HydrophobicContact CB-CH2 4.01Å; F484-W498 HydrophobicContact CB-CZ3 3.81Å; F484-W498 HydrophobicContact CD1-CE3 4.28Å; F484-W498 HydrophobicContact CD1-CZ3 4.36Å; F484-W498 HydrophobicContact CG-CZ3 4.17Å; F484-V502 HydrophobicContact CE1-CG2 4.12Å; F484-V502 HydrophobicContact CE2-CG2 4.37Å; F484-V502 HydrophobicContact CZ-CG2 4.04Å |
| 485 | T | 93.5 | Very high | 92.5 | Very high | 37 Ų | 37 | 57 Ų | 57 | 23% | 0.227 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -76.3 | -28.7 | -178.9 | 54.5 | 0 | 0 | 0 | 0 | 114.3 | Y481 N482 W483 R492 W498 | Y481-T485 PolarHBondContact O-N 3.23Å; Y481-T485 VanDerWaalsContact O-N 3.14Å; Y481-T485 PolarHBondContact O-OG1 3.35Å; N482-T485 PolarHBondContact O-OG1 3.2Å; W483-T485 PolarHBondContact O-N 3.5Å; T485-R492 WeakPolarHBondContact O-CG 3.42Å; T485-R492 PolarHBondContact O-NE 2.97Å; T485-W498 HydrophobicContact CG2-CH2 3.95Å; T485-W498 HydrophobicContact CG2-CZ2 3.65Å |
| 486 | R | 92.4 | Very high | 92.1 | Very high | 168 Ų | 168 | 59.5 Ų | 59.5 | 63% | 0.634 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -73.4 | -52.4 | 173.1 | -75.1 | -178.8 | -62.2 | 148.7 | -0.4 | 111.3 | N482 W483 F488 R492 | N482-R486 WeakPolarHBondContact O-CB 3.44Å; N482-R486 WeakPolarHBondContact O-CG 3.45Å; N482-R486 PolarHBondContact O-N 2.69Å; N482-R486 PolarHBondContact O-NE 2.95Å; W483-R486 PolarHBondContact O-N 3.45Å; R486-F488 VanDerWaalsContact C-N 3.33Å; R486-F488 PolarHBondContact O-N 2.94Å; R486-R492 PolarHBondContact O-NH2 3.3Å |
| 487 | K | 88.1 | Confident | 91.8 | Very high | 45 Ų | 45 | 62.2 Ų | 62.2 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.1 | -24.1 | -171.5 | -153.2 | 91.2 | 173.9 | -163.4 | 0 | 113.3 | L441 E469 W483 | L441-K487 HydrophobicContact CD2-CD 4.48Å; L441-K487 HydrophobicContact CD2-CG 4.08Å; E469-K487 IonicContact OE1-NZ 3.75Å; E469-K487 PolarHBondContact OE1-NZ 3.08Å; E469-K487 IonicContact OE2-NZ 3.85Å; E469-K487 PolarHBondContact OE2-NZ 3.42Å; W483-K487 HydrophobicContact CD2-CB 4.37Å; W483-K487 HydrophobicContact CE3-CB 4.49Å; W483-K487 HydrophobicContact CH2-CG 4.35Å; W483-K487 HydrophobicContact CZ2-CD 4.05Å; W483-K487 HydrophobicContact CZ2-CG 4.04Å; W483-K487 VanDerWaalsContact O-CB 3.25Å; W483-K487 WeakPolarHBondContact O-CB 3.47Å; W483-K487 PolarHBondContact O-N 3.43Å |
| 488 | F | 92.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | trans | -136.1 | 133.2 | -176.6 | -54.6 | -76 | 0 | 0 | 0 | 112.6 | L441 Y448 P455 L462 W483 F484 R486 F491 | L441-F488 HydrophobicContact CD1-CE1 3.55Å; L441-F488 HydrophobicContact CD1-CZ 3.68Å; L441-F488 HydrophobicContact CD2-CZ 3.93Å; L441-F488 HydrophobicContact CG-CZ 4.5Å; Y448-F488 HydrophobicContact CD1-CD1 4.27Å; Y448-F488 HydrophobicContact CD1-CE1 4.38Å; Y448-F488 HydrophobicContact CG-CD1 4.12Å; Y448-F488 HydrophobicContact CG-CE1 4.05Å; Y448-F488 CarbonylContact O-C 3.56Å; Y448-F488 WeakPolarHBondContact O-CA 3.48Å; P455-F488 HydrophobicContact CB-CD1 4.24Å; P455-F488 HydrophobicContact CB-CE1 3.86Å; P455-F488 HydrophobicContact CB-CZ 4.43Å; P455-F488 HydrophobicContact CG-CD1 3.18Å; P455-F488 HydrophobicContact CG-CD2 4.47Å; P455-F488 HydrophobicContact CG-CE1 3.27Å; P455-F488 HydrophobicContact CG-CG 3.85Å; P455-F488 HydrophobicContact CG-CZ 3.99Å; L462-F488 HydrophobicContact CD1-CE2 4.4Å; L462-F488 HydrophobicContact CD2-CE2 3.96Å; L462-F488 HydrophobicContact CD2-CZ 3.65Å; W483-F488 HydrophobicContact CE3-CE2 4.41Å; W483-F488 AromaticContact CH2-CE2 3.92Å; W483-F488 HydrophobicContact CH2-CE2 3.92Å; W483-F488 HydrophobicContact CH2-CZ 4.35Å; W483-F488 AromaticContact CZ3-CE2 3.64Å; W483-F488 HydrophobicContact CZ3-CE2 3.64Å; W483-F488 HydrophobicContact CZ3-CZ 4.48Å; F484-F488 PolarHBondContact O-N 3.37Å; R486-F488 VanDerWaalsContact C-N 3.33Å; R486-F488 PolarHBondContact O-N 2.94Å; F488-F491 HydrophobicContact CB-CD2 3.7Å; F488-F491 HydrophobicContact CB-CE2 4.29Å; F488-F491 AromaticContact CD2-CD2 3.79Å; F488-F491 HydrophobicContact CD2-CD2 3.79Å; F488-F491 AromaticContact CD2-CE2 3.92Å; F488-F491 HydrophobicContact CD2-CE2 3.92Å; F488-F491 AromaticContact CG-CD2 3.96Å; F488-F491 HydrophobicContact CG-CD2 3.96Å; F488-F491 HydrophobicContact CG-CE2 4.14Å | ||
| 489 | A | 90.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.017 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -67 | -41.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y448 D452 F491 R492 | Y448-A489 PolarHBondContact O-N 3.48Å; D452-A489 WeakPolarHBondContact OD1-CB 3.46Å; A489-F491 PolarHBondContact O-N 3.36Å; A489-F491 VanDerWaalsContact O-N 3.08Å; A489-R492 VanDerWaalsContact O-CB 3.28Å; A489-R492 WeakPolarHBondContact O-CB 3.4Å; A489-R492 WeakPolarHBondContact O-CG 3.39Å; A489-R492 PolarHBondContact O-N 2.91Å |
| 490 | Y | 90.7 | Very high | 91.7 | Very high | 87 Ų | 87 | 55.6 Ų | 55.6 | 34% | 0.341 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -49.3 | -38.4 | -178.8 | 177.8 | -103.2 | 0 | 0 | 0 | 114.6 | D452 R454 R492 | D452-Y490 WeakPolarHBondContact O-CD2 3.47Å; R454-Y490 HydrophobicContact CB-CD1 4.04Å; R454-Y490 HydrophobicContact CB-CD2 4.11Å; R454-Y490 HydrophobicContact CB-CE1 3.82Å; R454-Y490 HydrophobicContact CB-CE2 3.9Å; R454-Y490 HydrophobicContact CB-CG 4.18Å; R454-Y490 HydrophobicContact CG-CD1 4.15Å; R454-Y490 HydrophobicContact CG-CE1 3.72Å; Y490-R492 VanDerWaalsContact C-N 3.33Å; Y490-R492 PolarHBondContact O-N 3.44Å |
| 491 | F | 90.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -84.2 | 0.3 | -179.3 | -62.5 | -59.8 | 0 | 0 | 0 | 114.2 | P455 Y459 L462 F484 F488 A489 W498 | P455-F491 HydrophobicContact CG-CE2 4.29Å; Y459-F491 AromaticContact CE1-CE1 3.92Å; Y459-F491 HydrophobicContact CE1-CE1 3.92Å; Y459-F491 HydrophobicContact CE1-CZ 4.09Å; L462-F491 HydrophobicContact CD1-CE2 4.23Å; L462-F491 HydrophobicContact CD1-CZ 4.45Å; F484-F491 HydrophobicContact CB-CB 4.42Å; F484-F491 HydrophobicContact CB-CD2 4.31Å; F484-F491 HydrophobicContact CD1-CD1 4.31Å; F484-F491 AromaticContact CD1-CD2 3.47Å; F484-F491 HydrophobicContact CD1-CD2 3.47Å; F484-F491 VanDerWaalsContact CD1-CD2 3.47Å; F484-F491 HydrophobicContact CD1-CE1 4.33Å; F484-F491 AromaticContact CD1-CE2 3.53Å; F484-F491 HydrophobicContact CD1-CE2 3.53Å; F484-F491 AromaticContact CD1-CG 3.91Å; F484-F491 HydrophobicContact CD1-CG 3.91Å; F484-F491 AromaticContact CD1-CZ 3.97Å; F484-F491 HydrophobicContact CD1-CZ 3.97Å; F484-F491 HydrophobicContact CE1-CD2 4.23Å; F484-F491 AromaticContact CE1-CE2 3.8Å; F484-F491 HydrophobicContact CE1-CE2 3.8Å; F484-F491 AromaticContact CE1-CZ 3.96Å; F484-F491 HydrophobicContact CE1-CZ 3.96Å; F484-F491 HydrophobicContact CG-CD2 4.31Å; F488-F491 HydrophobicContact CB-CD2 3.7Å; F488-F491 HydrophobicContact CB-CE2 4.29Å; F488-F491 AromaticContact CD2-CD2 3.79Å; F488-F491 HydrophobicContact CD2-CD2 3.79Å; F488-F491 AromaticContact CD2-CE2 3.92Å; F488-F491 HydrophobicContact CD2-CE2 3.92Å; F488-F491 AromaticContact CG-CD2 3.96Å; F488-F491 HydrophobicContact CG-CD2 3.96Å; F488-F491 HydrophobicContact CG-CE2 4.14Å; A489-F491 PolarHBondContact O-N 3.36Å; A489-F491 VanDerWaalsContact O-N 3.08Å; F491-W498 HydrophobicContact CB-CD2 4.24Å; F491-W498 HydrophobicContact CB-CG 4.49Å; F491-W498 HydrophobicContact CB-CZ2 4.25Å; F491-W498 HydrophobicContact CD1-CB 3.8Å; F491-W498 AromaticContact CD1-CD1 3.84Å; F491-W498 HydrophobicContact CD1-CD2 4.01Å; F491-W498 AromaticContact CD1-CG 3.63Å; F491-W498 HydrophobicContact CD1-CG 3.63Å; F491-W498 HydrophobicContact CE1-CB 4.02Å; F491-W498 HydrophobicContact CE1-CG 4.34Å; F491-W498 HydrophobicContact CG-CD2 4.43Å; F491-W498 HydrophobicContact CG-CG 4.45Å; F491-W498 VanDerWaalsContact O-CE2 3.22Å; F491-W498 VanDerWaalsContact O-CZ2 3.32Å; F491-W498 WeakPolarHBondContact O-CZ2 3.43Å; F491-W498 PolarHBondContact O-NE1 3.24Å |
| 492 | R | 91.4 | Very high | 91.7 | Very high | 119 Ų | 119 | 55.4 Ų | 55.4 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -73.8 | -27.9 | 175.6 | -61 | 177.1 | -170.6 | 141.1 | 9 | 112.3 | K449 T485 R486 A489 Y490 | K449-R492 VanDerWaalsContact O-CZ 3.31Å; K449-R492 PolarHBondContact O-NH1 2.93Å; K449-R492 PolarHBondContact O-NH2 2.99Å; T485-R492 WeakPolarHBondContact O-CG 3.42Å; T485-R492 PolarHBondContact O-NE 2.97Å; R486-R492 PolarHBondContact O-NH2 3.3Å; A489-R492 VanDerWaalsContact O-CB 3.28Å; A489-R492 WeakPolarHBondContact O-CB 3.4Å; A489-R492 WeakPolarHBondContact O-CG 3.39Å; A489-R492 PolarHBondContact O-N 2.91Å; Y490-R492 VanDerWaalsContact C-N 3.33Å; Y490-R492 PolarHBondContact O-N 3.44Å |
| 493 | R | 85.8 | Confident | 91.8 | Very high | 165 Ų | 165 | 57.9 Ų | 57.9 | 62% | 0.623 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -95.8 | 163.4 | 175 | -53.7 | -165.5 | -166.4 | 101.1 | 11.8 | 111.5 | D452 T495 | D452-R493 IonicContact OD1-CZ 3.68Å; D452-R493 IonicContact OD1-NH1 2.79Å; D452-R493 PolarHBondContact OD1-NH1 3.34Å; D452-R493 IonicContact OD1-NH2 3.78Å; D452-R493 IonicContact OD2-CZ 3.63Å; D452-R493 IonicContact OD2-NH1 2.71Å; D452-R493 PolarHBondContact OD2-NH1 2.86Å; D452-R493 IonicContact OD2-NH2 2.84Å; D452-R493 PolarHBondContact OD2-NH2 3.01Å; R493-T495 PolarHBondContact O-N 3.35Å |
| 494 | N | 81.9 | Confident | 91.9 | Very high | 107 Ų | 107 | 62.4 Ų | 62.4 | 57% | 0.572 | 30% | 0.303 | S | S | * | . | trans | 39.3 | 69.6 | -179.3 | -175 | 1.4 | 0 | 0 | 0 | 113.9 | A496 T497 | N494-A496 VanDerWaalsContact C-N 3.27Å; N494-A496 PolarHBondContact O-N 2.95Å; N494-T497 PolarHBondContact ND2-OG1 2.92Å; N494-T497 PolarHBondContact OD1-OG1 3.44Å | ||
| 495 | T | 87.9 | Confident | 92 | Very high | 63 Ų | 63 | 63.4 Ų | 63.4 | 39% | 0.387 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.9 | -19.3 | -173.3 | 76.3 | 0 | 0 | 0 | 0 | 114.5 | R493 K499 | R493-T495 PolarHBondContact O-N 3.35Å; T495-K499 WeakPolarHBondContact O-CB 3.36Å; T495-K499 WeakPolarHBondContact O-CD 3.41Å; T495-K499 WeakPolarHBondContact O-CG 3.37Å; T495-K499 PolarHBondContact O-N 3.36Å |
| 496 | A | 89.1 | Confident | 92.1 | Very high | 73 Ų | 73 | 61.8 Ų | 61.8 | 60% | 0.603 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.7 | -53.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | N494 G500 | N494-A496 VanDerWaalsContact C-N 3.27Å; N494-A496 PolarHBondContact O-N 2.95Å; A496-G500 PolarHBondContact O-N 3.03Å; A496-G500 VanDerWaalsContact O-N 3.07Å |
| 497 | T | 90.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 58.3 Ų | 58.3 | 61% | 0.607 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.7 | -50.2 | -172.8 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | N494 G500 G501 | N494-T497 PolarHBondContact ND2-OG1 2.92Å; N494-T497 PolarHBondContact OD1-OG1 3.44Å; T497-G500 PolarHBondContact O-N 3.42Å; T497-G501 PolarHBondContact O-N 3.26Å; T497-G501 VanDerWaalsContact O-N 3.13Å |
| 498 | W | 94 | Very high | 92.5 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 3% | 0.034 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -77.3 | -33.3 | -175.9 | 70.2 | -105 | 0 | 0 | 0 | 113.1 | Y459 Y481 F484 T485 F491 G500 G501 V502 | Y459-W498 HydrophobicContact CE1-CB 4.31Å; Y459-W498 WeakPolarHBondContact OH-CB 3.3Å; Y481-W498 HydrophobicContact CD1-CH2 4.24Å; Y481-W498 AromaticContact CD1-CZ3 3.78Å; Y481-W498 HydrophobicContact CD1-CZ3 3.78Å; Y481-W498 HydrophobicContact CG-CH2 4.39Å; Y481-W498 HydrophobicContact CG-CZ3 4.38Å; F484-W498 HydrophobicContact CB-CE3 4.47Å; F484-W498 HydrophobicContact CB-CH2 4.01Å; F484-W498 HydrophobicContact CB-CZ3 3.81Å; F484-W498 HydrophobicContact CD1-CE3 4.28Å; F484-W498 HydrophobicContact CD1-CZ3 4.36Å; F484-W498 HydrophobicContact CG-CZ3 4.17Å; T485-W498 HydrophobicContact CG2-CH2 3.95Å; T485-W498 HydrophobicContact CG2-CZ2 3.65Å; F491-W498 HydrophobicContact CB-CD2 4.24Å; F491-W498 HydrophobicContact CB-CG 4.49Å; F491-W498 HydrophobicContact CB-CZ2 4.25Å; F491-W498 HydrophobicContact CD1-CB 3.8Å; F491-W498 AromaticContact CD1-CD1 3.84Å; F491-W498 HydrophobicContact CD1-CD2 4.01Å; F491-W498 AromaticContact CD1-CG 3.63Å; F491-W498 HydrophobicContact CD1-CG 3.63Å; F491-W498 HydrophobicContact CE1-CB 4.02Å; F491-W498 HydrophobicContact CE1-CG 4.34Å; F491-W498 HydrophobicContact CG-CD2 4.43Å; F491-W498 HydrophobicContact CG-CG 4.45Å; F491-W498 VanDerWaalsContact O-CE2 3.22Å; F491-W498 VanDerWaalsContact O-CZ2 3.32Å; F491-W498 WeakPolarHBondContact O-CZ2 3.43Å; F491-W498 PolarHBondContact O-NE1 3.24Å; W498-G500 VanDerWaalsContact C-N 3.27Å; W498-G500 PolarHBondContact O-N 3.3Å; W498-G501 PolarHBondContact O-N 3.15Å; W498-G501 VanDerWaalsContact O-N 3.16Å; W498-V502 HydrophobicContact CE3-CG2 4.08Å; W498-V502 HydrophobicContact CZ3-CG2 4.44Å; W498-V502 WeakPolarHBondContact O-CG2 3.49Å; W498-V502 PolarHBondContact O-N 3.4Å |
| 499 | K | 95 | Very high | 92.6 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.4 | -34.6 | 173 | -70.7 | 178.7 | 176.3 | 173 | 0 | 111.5 | Y481 T495 R503 | Y481-K499 HydrophobicContact CD1-CB 4.46Å; Y481-K499 HydrophobicContact CD1-CD 4.45Å; Y481-K499 HydrophobicContact CD1-CG 3.86Å; Y481-K499 HydrophobicContact CD2-CD 4.09Å; Y481-K499 HydrophobicContact CD2-CG 4.38Å; Y481-K499 HydrophobicContact CE1-CB 3.85Å; Y481-K499 HydrophobicContact CE1-CD 4.4Å; Y481-K499 HydrophobicContact CE1-CG 3.73Å; Y481-K499 HydrophobicContact CE2-CD 4.03Å; Y481-K499 HydrophobicContact CE2-CG 4.27Å; Y481-K499 HydrophobicContact CG-CD 4.29Å; Y481-K499 HydrophobicContact CG-CG 4.17Å; T495-K499 WeakPolarHBondContact O-CB 3.36Å; T495-K499 WeakPolarHBondContact O-CD 3.41Å; T495-K499 WeakPolarHBondContact O-CG 3.37Å; T495-K499 PolarHBondContact O-N 3.36Å; K499-R503 WeakPolarHBondContact O-CG 3.13Å; K499-R503 PolarHBondContact O-N 3.04Å |
| 500 | G | 95.9 | Very high | 92.7 | Very high | 25 Ų | 25 | 69.5 Ų | 69.5 | 26% | 0.258 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.8 | -50.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A496 T497 W498 V502 R503 H504 | A496-G500 PolarHBondContact O-N 3.03Å; A496-G500 VanDerWaalsContact O-N 3.07Å; T497-G500 PolarHBondContact O-N 3.42Å; W498-G500 VanDerWaalsContact C-N 3.27Å; W498-G500 PolarHBondContact O-N 3.3Å; G500-V502 VanDerWaalsContact C-N 3.35Å; G500-V502 PolarHBondContact O-N 2.92Å; G500-R503 PolarHBondContact O-N 3.35Å; G500-H504 WeakPolarHBondContact O-CB 3.38Å; G500-H504 PolarHBondContact O-N 3.48Å |
| 501 | G | 95.3 | Very high | 92.9 | Very high | 17 Ų | 17 | 65.4 Ų | 65.4 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.2 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | T497 W498 H504 N505 | T497-G501 PolarHBondContact O-N 3.26Å; T497-G501 VanDerWaalsContact O-N 3.13Å; W498-G501 PolarHBondContact O-N 3.15Å; W498-G501 VanDerWaalsContact O-N 3.16Å; G501-H504 PolarHBondContact O-N 3.4Å; G501-N505 PolarHBondContact O-N 3.35Å; G501-N505 PolarHBondContact O-ND2 3.47Å |
| 502 | V | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64 | -48.2 | 175.9 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | Y459 I463 L477 I480 Y481 F484 W498 G500 H504 N505 L506 | Y459-V502 HydrophobicContact CD1-CG2 3.97Å; Y459-V502 HydrophobicContact CE1-CG2 4.24Å; I463-V502 HydrophobicContact CD1-CB 4.43Å; I463-V502 HydrophobicContact CD1-CG1 4.06Å; I463-V502 HydrophobicContact CD1-CG2 4.39Å; I463-V502 HydrophobicContact CG1-CG1 4.37Å; L477-V502 HydrophobicContact CD1-CG1 4.35Å; I480-V502 HydrophobicContact CG2-CG1 3.95Å; Y481-V502 HydrophobicContact CD1-CG1 4.35Å; Y481-V502 HydrophobicContact CE1-CB 4.26Å; Y481-V502 HydrophobicContact CE1-CG1 3.98Å; F484-V502 HydrophobicContact CE1-CG2 4.12Å; F484-V502 HydrophobicContact CE2-CG2 4.37Å; F484-V502 HydrophobicContact CZ-CG2 4.04Å; W498-V502 HydrophobicContact CE3-CG2 4.08Å; W498-V502 HydrophobicContact CZ3-CG2 4.44Å; W498-V502 WeakPolarHBondContact O-CG2 3.49Å; W498-V502 PolarHBondContact O-N 3.4Å; G500-V502 VanDerWaalsContact C-N 3.35Å; G500-V502 PolarHBondContact O-N 2.92Å; V502-H504 VanDerWaalsContact C-N 3.33Å; V502-H504 PolarHBondContact O-N 3.26Å; V502-N505 PolarHBondContact O-N 3.42Å; V502-L506 HydrophobicContact CG1-CD1 4.02Å; V502-L506 WeakPolarHBondContact O-CG 3.48Å; V502-L506 PolarHBondContact O-N 3.03Å |
| 503 | R | 96.8 | Very high | 93.3 | Very high | 124 Ų | 124 | 62.9 Ų | 62.9 | 47% | 0.468 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 176.5 | -71.9 | -173.1 | -60.3 | -96 | 6.8 | 111.9 | L477 Y481 K499 G500 L506 S507 | L477-R503 HydrophobicContact CD1-CG 4.21Å; L477-R503 HydrophobicContact CD2-CG 4.11Å; Y481-R503 WeakPolarHBondContact OH-CD 3.49Å; Y481-R503 VanDerWaalsContact OH-CG 3.26Å; Y481-R503 WeakPolarHBondContact OH-CG 3.4Å; Y481-R503 PolarHBondContact OH-NH1 3.26Å; K499-R503 WeakPolarHBondContact O-CG 3.13Å; K499-R503 PolarHBondContact O-N 3.04Å; G500-R503 PolarHBondContact O-N 3.35Å; R503-L506 PolarHBondContact O-N 3.32Å; R503-S507 PolarHBondContact O-N 3.45Å; R503-S507 VanDerWaalsContact O-N 3.15Å; R503-S507 PolarHBondContact O-OG 3.33Å |
| 504 | H | 96.4 | Very high | 93.8 | Very high | 108 Ų | 108 | 62.5 Ų | 62.5 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 176.6 | 175.4 | 66.8 | 0 | 0 | 0 | 112.4 | G500 G501 V502 L506 S507 L508 | G500-H504 WeakPolarHBondContact O-CB 3.38Å; G500-H504 PolarHBondContact O-N 3.48Å; G501-H504 PolarHBondContact O-N 3.4Å; V502-H504 VanDerWaalsContact C-N 3.33Å; V502-H504 PolarHBondContact O-N 3.26Å; H504-L506 PolarHBondContact O-N 2.88Å; H504-S507 PolarHBondContact O-N 2.97Å; H504-S507 PolarHBondContact O-OG 3.02Å; H504-L508 WeakPolarHBondContact O-CB 3.48Å; H504-L508 PolarHBondContact O-N 3.33Å |
| 505 | N | 96.4 | Very high | 94.4 | Very high | 20 Ų | 20 | 60.1 Ų | 60.1 | 11% | 0.107 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 178 | -86.6 | -114 | 0 | 0 | 0 | 112.3 | Y459 A460 I463 G501 V502 L508 H509 F512 | Y459-N505 WeakPolarHBondContact CB-OD1 3.36Å; A460-N505 PolarHBondContact N-OD1 3.06Å; I463-N505 HydrophobicContact CD1-CB 3.73Å; G501-N505 PolarHBondContact O-N 3.35Å; G501-N505 PolarHBondContact O-ND2 3.47Å; V502-N505 PolarHBondContact O-N 3.42Å; N505-L508 PolarHBondContact O-N 3.48Å; N505-H509 PolarHBondContact O-CD2 3.44Å; N505-H509 PolarHBondContact O-N 3.34Å; N505-F512 WeakPolarHBondContact O-CD2 3.49Å |
| 506 | L | 96.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64 | -36.3 | 176.8 | -72.1 | 167.4 | 0 | 0 | 0 | 112.5 | I463 L477 I480 V502 R503 H504 F512 W523 | I463-L506 HydrophobicContact CD1-CG 4.46Å; I463-L506 HydrophobicContact CG2-CD2 3.66Å; I463-L506 HydrophobicContact CG2-CG 4.45Å; L477-L506 HydrophobicContact CD1-CD1 3.55Å; I480-L506 HydrophobicContact CD1-CD1 4.26Å; I480-L506 HydrophobicContact CD1-CD2 4.33Å; V502-L506 HydrophobicContact CG1-CD1 4.02Å; V502-L506 WeakPolarHBondContact O-CG 3.48Å; V502-L506 PolarHBondContact O-N 3.03Å; R503-L506 PolarHBondContact O-N 3.32Å; H504-L506 PolarHBondContact O-N 2.88Å; L506-F512 HydrophobicContact CD2-CB 3.86Å; L506-F512 HydrophobicContact CD2-CD1 4.17Å; L506-F512 HydrophobicContact CD2-CD2 4.14Å; L506-F512 HydrophobicContact CD2-CG 3.79Å; L506-W523 HydrophobicContact CB-CD2 4.34Å; L506-W523 HydrophobicContact CB-CE3 4.22Å; L506-W523 HydrophobicContact CB-CH2 3.94Å; L506-W523 HydrophobicContact CB-CZ2 4.07Å; L506-W523 HydrophobicContact CB-CZ3 4.01Å; L506-W523 HydrophobicContact CD1-CD2 4.27Å; L506-W523 HydrophobicContact CD1-CG 4.4Å; L506-W523 HydrophobicContact CD1-CZ2 4.49Å; L506-W523 HydrophobicContact CD2-CB 4.28Å; L506-W523 HydrophobicContact CD2-CD2 3.86Å; L506-W523 HydrophobicContact CD2-CE3 3.94Å; L506-W523 HydrophobicContact CD2-CG 4.01Å; L506-W523 HydrophobicContact CG-CD2 4.39Å; L506-W523 WeakPolarHBondContact O-CZ3 3.45Å |
| 507 | S | 95.3 | Very high | 94.6 | Very high | 95 Ų | 95 | 64.2 Ų | 64.2 | 66% | 0.664 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -84.1 | -27.8 | 175.8 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | R503 H504 | R503-S507 PolarHBondContact O-N 3.45Å; R503-S507 VanDerWaalsContact O-N 3.15Å; R503-S507 PolarHBondContact O-OG 3.33Å; H504-S507 PolarHBondContact O-N 2.97Å; H504-S507 PolarHBondContact O-OG 3.02Å |
| 508 | L | 94.4 | Very high | 94.2 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -77.5 | -34.3 | -176.9 | -178.4 | 69.6 | 0 | 0 | 0 | 113.5 | H504 N505 | H504-L508 WeakPolarHBondContact O-CB 3.48Å; H504-L508 PolarHBondContact O-N 3.33Å; N505-L508 PolarHBondContact O-N 3.48Å |
| 509 | H | 93.4 | Very high | 93.6 | Very high | 40 Ų | 40 | 75.2 Ų | 75.2 | 19% | 0.185 | 38% | 0.377 | C | S | . | . | trans | -106 | 108.6 | -171.2 | -61.3 | -50 | 0 | 0 | 0 | 111.3 | N505 C511 F512 R533 | N505-H509 PolarHBondContact O-CD2 3.44Å; N505-H509 PolarHBondContact O-N 3.34Å; H509-C511 PolarHBondContact O-N 3.33Å; H509-F512 HydrophobicContact CB-CD2 3.84Å; H509-F512 HydrophobicContact CB-CE2 4.01Å; H509-F512 PolarHBondContact O-N 2.96Å; H509-R533 PolarHBondContact ND1-NH1 3.05Å | ||
| 510 | K | 92.7 | Very high | 93.4 | Very high | 154 Ų | 154 | 74.1 Ų | 74.1 | 67% | 0.67 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -20.4 | 176.6 | -72.3 | -172.6 | 174.7 | -171.3 | 0 | 115.5 | F512 E529 R533 | K510-F512 VanDerWaalsContact C-N 3.25Å; K510-F512 PolarHBondContact O-N 3.24Å; K510-E529 HydrophobicContact CB-CG 3.75Å; K510-E529 WeakPolarHBondContact CB-OE1 3.17Å; K510-R533 VanDerWaalsContact N-NH2 3.2Å |
| 511 | C | 94.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.007 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -10.5 | 175.4 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | H509 V525 D526 E529 Y530 | H509-C511 PolarHBondContact O-N 3.33Å; C511-V525 CarbonylContact O-C 3.59Å; C511-V525 VanDerWaalsContact O-CA 3.27Å; C511-V525 WeakPolarHBondContact O-CA 3.38Å; C511-D526 WeakPolarHBondContact CB-O 3.4Å; C511-D526 PolarHBondContact O-N 3.35Å; C511-E529 HydrophobicContact CB-CB 4.13Å; C511-E529 HydrophobicContact CB-CG 4.12Å; C511-Y530 HydrophobicContact CB-CD2 4.48Å |
| 512 | F | 96.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 73.4 Ų | 73.4 | 4% | 0.039 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 114.8 | 166.2 | -57.9 | -57.2 | 0 | 0 | 0 | 108.8 | A460 I463 R464 I467 N505 L506 H509 K510 W523 T524 V525 | A460-F512 HydrophobicContact CB-CE2 4.15Å; A460-F512 HydrophobicContact CB-CZ 4.24Å; A460-F512 WeakPolarHBondContact O-CZ 3.29Å; I463-F512 HydrophobicContact CB-CE1 4.1Å; I463-F512 HydrophobicContact CB-CZ 3.87Å; I463-F512 HydrophobicContact CG2-CD1 3.97Å; I463-F512 HydrophobicContact CG2-CE1 3.51Å; I463-F512 HydrophobicContact CG2-CE2 4.29Å; I463-F512 HydrophobicContact CG2-CZ 3.7Å; R464-F512 HydrophobicContact CB-CE1 4.27Å; I467-F512 HydrophobicContact CD1-CD1 4.17Å; I467-F512 HydrophobicContact CD1-CE1 4.43Å; N505-F512 WeakPolarHBondContact O-CD2 3.49Å; L506-F512 HydrophobicContact CD2-CB 3.86Å; L506-F512 HydrophobicContact CD2-CD1 4.17Å; L506-F512 HydrophobicContact CD2-CD2 4.14Å; L506-F512 HydrophobicContact CD2-CG 3.79Å; H509-F512 HydrophobicContact CB-CD2 3.84Å; H509-F512 HydrophobicContact CB-CE2 4.01Å; H509-F512 PolarHBondContact O-N 2.96Å; K510-F512 VanDerWaalsContact C-N 3.25Å; K510-F512 PolarHBondContact O-N 3.24Å; F512-W523 HydrophobicContact CB-CE3 4.1Å; F512-W523 HydrophobicContact CB-CZ3 4.39Å; F512-T524 WeakPolarHBondContact CA-O 3.26Å; F512-V525 HydrophobicContact CD1-CG2 4.01Å; F512-V525 HydrophobicContact CE1-CG2 3.96Å |
| 513 | V | 95.7 | Very high | 93.4 | Very high | 61 Ų | 61 | 75.2 Ų | 75.2 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 129.1 | -178.5 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | V515 W523 T524 | V513-V515 HydrophobicContact CG1-CG2 4.15Å; V513-W523 WeakPolarHBondContact O-CA 3.44Å; V513-T524 PolarHBondContact N-O 3.25Å; V513-T524 VanDerWaalsContact N-O 3.12Å; V513-T524 PolarHBondContact O-N 3Å; V513-T524 PolarHBondContact O-OG1 3.36Å |
| 514 | R | 96 | Very high | 93.3 | Very high | 156 Ų | 156 | 70.9 Ų | 70.9 | 59% | 0.589 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 119.6 | 169.9 | 178.6 | -178 | 167.5 | 102.1 | -5.6 | 108 | A521 V522 W523 | R514-A521 HydrophobicContact CG-CB 3.99Å; R514-A521 VanDerWaalsContact NH2-CB 3.34Å; R514-V522 WeakPolarHBondContact CA-O 3.4Å; R514-W523 HydrophobicContact CB-CD2 4.39Å; R514-W523 HydrophobicContact CB-CE3 4.06Å; R514-W523 HydrophobicContact CB-CH2 4.06Å; R514-W523 HydrophobicContact CB-CZ2 4.37Å; R514-W523 HydrophobicContact CB-CZ3 3.9Å |
| 515 | V | 94.8 | Very high | 93.3 | Very high | 57 Ų | 57 | 66.8 Ų | 66.8 | 35% | 0.345 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134.9 | 176.9 | -178 | 0 | 0 | 0 | 0 | 108.3 | V513 A521 V522 T524 | V513-V515 HydrophobicContact CG1-CG2 4.15Å; V515-A521 CarbonylContact O-C 3.57Å; V515-A521 WeakPolarHBondContact O-CA 3.44Å; V515-V522 HydrophobicContact CB-CG2 4.09Å; V515-V522 PolarHBondContact N-O 3Å; V515-V522 PolarHBondContact O-N 2.84Å; V515-T524 HydrophobicContact CB-CG2 4.42Å; V515-T524 HydrophobicContact CG2-CG2 3.81Å |
| 516 | E | 94.1 | Very high | 93.2 | Very high | 159 Ų | 159 | 68.7 Ų | 68.7 | 74% | 0.743 | 36% | 0.358 | S | S | * | . | trans | -81.1 | 134 | 174.4 | -164.8 | 126.2 | -112 | 0 | 0 | 109.9 | ||||
| 517 | N | 86 | Confident | 92.9 | Very high | 63 Ų | 63 | 71.2 Ų | 71.2 | 34% | 0.337 | 37% | 0.37 | S | S | . | . | trans | -131.7 | 160.8 | 178.9 | -173.1 | 4.9 | 0 | 0 | 0 | 108.5 | K519 G520 V522 | N517-K519 PolarHBondContact O-N 3.04Å; N517-G520 WeakPolarHBondContact CB-O 3.46Å; N517-G520 PolarHBondContact N-O 3.04Å; N517-G520 CarbonylContact O-C 3.56Å; N517-G520 WeakPolarHBondContact O-CA 3.41Å; N517-G520 PolarHBondContact O-N 3.22Å; N517-V522 HydrophobicContact CB-CG1 4.5Å; N517-V522 HydrophobicContact CB-CG2 4.41Å | ||
| 518 | V | 82.4 | Confident | 92.6 | Very high | 142 Ų | 142 | 71.1 Ų | 71.1 | 86% | 0.861 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -7 | -173.7 | -58.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 519 | K | 81.9 | Confident | 92.4 | Very high | 198 Ų | 198 | 68.3 Ų | 68.3 | 86% | 0.861 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 19 | 173.5 | -62.6 | -177.6 | -179.1 | 177.1 | 0 | 112.8 | N517 | N517-K519 PolarHBondContact O-N 3.04Š|
| 520 | G | 90.3 | Very high | 92 | Very high | 35 Ų | 35 | 67.2 Ų | 67.2 | 36% | 0.361 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 96.8 | 176.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113 | N517 | N517-G520 WeakPolarHBondContact CB-O 3.46Å; N517-G520 PolarHBondContact N-O 3.04Å; N517-G520 CarbonylContact O-C 3.56Å; N517-G520 WeakPolarHBondContact O-CA 3.41Å; N517-G520 PolarHBondContact O-N 3.22Å |
| 521 | A | 93.5 | Very high | 91.7 | Very high | 18 Ų | 18 | 65.1 Ų | 65.1 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | trans | -80.2 | 138.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115 | R514 V515 | R514-A521 HydrophobicContact CG-CB 3.99Å; R514-A521 VanDerWaalsContact NH2-CB 3.34Å; V515-A521 CarbonylContact O-C 3.57Å; V515-A521 WeakPolarHBondContact O-CA 3.44Å | ||
| 522 | V | 96.2 | Very high | 91.2 | Very high | 9 Ų | 9 | 71.5 Ų | 71.5 | 6% | 0.055 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 165.4 | 176.3 | -64.4 | 0 | 0 | 0 | 0 | 111 | Q474 T476 R514 V515 N517 | Q474-V522 HydrophobicContact CB-CB 4.17Å; Q474-V522 HydrophobicContact CB-CG2 3.97Å; Q474-V522 HydrophobicContact CG-CB 4.4Å; Q474-V522 HydrophobicContact CG-CG1 4.49Å; Q474-V522 HydrophobicContact CG-CG2 4.23Å; T476-V522 HydrophobicContact CG2-CG1 3.99Å; R514-V522 WeakPolarHBondContact CA-O 3.4Å; V515-V522 HydrophobicContact CB-CG2 4.09Å; V515-V522 PolarHBondContact N-O 3Å; V515-V522 PolarHBondContact O-N 2.84Å; N517-V522 HydrophobicContact CB-CG1 4.5Å; N517-V522 HydrophobicContact CB-CG2 4.41Å |
| 523 | W | 97.3 | Very high | 89.8 | Confident | 38 Ų | 38 | 76.3 Ų | 76.3 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.6 | 171.9 | -66.4 | 93.3 | 0 | 0 | 0 | 110.3 | I467 Q474 L475 I480 L506 F512 V513 R514 | I467-W523 HydrophobicContact CD1-CB 4.19Å; Q474-W523 WeakPolarHBondContact CA-O 3.34Å; L475-W523 PolarHBondContact N-O 3.49Å; L475-W523 PolarHBondContact O-N 3.35Å; I480-W523 HydrophobicContact CD1-CB 4.2Å; I480-W523 HydrophobicContact CD1-CG 4.46Å; L506-W523 HydrophobicContact CB-CD2 4.34Å; L506-W523 HydrophobicContact CB-CE3 4.22Å; L506-W523 HydrophobicContact CB-CH2 3.94Å; L506-W523 HydrophobicContact CB-CZ2 4.07Å; L506-W523 HydrophobicContact CB-CZ3 4.01Å; L506-W523 HydrophobicContact CD1-CD2 4.27Å; L506-W523 HydrophobicContact CD1-CG 4.4Å; L506-W523 HydrophobicContact CD1-CZ2 4.49Å; L506-W523 HydrophobicContact CD2-CB 4.28Å; L506-W523 HydrophobicContact CD2-CD2 3.86Å; L506-W523 HydrophobicContact CD2-CE3 3.94Å; L506-W523 HydrophobicContact CD2-CG 4.01Å; L506-W523 HydrophobicContact CG-CD2 4.39Å; L506-W523 WeakPolarHBondContact O-CZ3 3.45Å; F512-W523 HydrophobicContact CB-CE3 4.1Å; F512-W523 HydrophobicContact CB-CZ3 4.39Å; V513-W523 WeakPolarHBondContact O-CA 3.44Å; R514-W523 HydrophobicContact CB-CD2 4.39Å; R514-W523 HydrophobicContact CB-CE3 4.06Å; R514-W523 HydrophobicContact CB-CH2 4.06Å; R514-W523 HydrophobicContact CB-CZ2 4.37Å; R514-W523 HydrophobicContact CB-CZ3 3.9Å |
| 524 | T | 95.8 | Very high | 88.3 | Confident | 32 Ų | 32 | 78.5 Ų | 78.5 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 171.2 | 174.2 | 60.9 | 0 | 0 | 0 | 0 | 110.6 | Q474 F512 V513 V515 | Q474-T524 HydrophobicContact CB-CG2 3.77Å; F512-T524 WeakPolarHBondContact CA-O 3.26Å; V513-T524 PolarHBondContact N-O 3.25Å; V513-T524 VanDerWaalsContact N-O 3.12Å; V513-T524 PolarHBondContact O-N 3Å; V513-T524 PolarHBondContact O-OG1 3.36Å; V515-T524 HydrophobicContact CB-CG2 4.42Å; V515-T524 HydrophobicContact CG2-CG2 3.81Å |
| 525 | V | 95.7 | Very high | 85.9 | Confident | 23 Ų | 23 | 76.5 Ų | 76.5 | 14% | 0.139 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.7 | 172.9 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | R464 I467 C511 F512 E527 | R464-V525 HydrophobicContact CB-CG2 4.39Å; R464-V525 HydrophobicContact CG-CG1 4.13Å; R464-V525 HydrophobicContact CG-CG2 4.34Å; I467-V525 HydrophobicContact CB-CG2 3.85Å; I467-V525 HydrophobicContact CD1-CG2 3.8Å; I467-V525 HydrophobicContact CG1-CG2 4.43Å; I467-V525 HydrophobicContact CG2-CG2 3.83Å; C511-V525 CarbonylContact O-C 3.59Å; C511-V525 VanDerWaalsContact O-CA 3.27Å; C511-V525 WeakPolarHBondContact O-CA 3.38Å; F512-V525 HydrophobicContact CD1-CG2 4.01Å; F512-V525 HydrophobicContact CE1-CG2 3.96Å; V525-E527 PolarHBondContact O-N 3.02Å |
| 526 | D | 93.9 | Very high | 83.7 | Confident | 60 Ų | 60 | 79.7 Ų | 79.7 | 32% | 0.321 | 41% | 0.413 | S | S | . | . | trans | -76.4 | 104 | 158.6 | 179.3 | -12.6 | 0 | 0 | 0 | 108.4 | C511 V528 E529 Y530 | C511-D526 WeakPolarHBondContact CB-O 3.4Å; C511-D526 PolarHBondContact O-N 3.35Å; D526-V528 VanDerWaalsContact C-N 3.3Å; D526-V528 PolarHBondContact O-N 3.04Å; D526-V528 WeakPolarHBondContact OD1-CA 3.43Å; D526-V528 WeakPolarHBondContact OD1-CB 3.43Å; D526-V528 PolarHBondContact OD1-N 2.91Å; D526-E529 HydrophobicContact CB-CB 3.97Å; D526-E529 VanDerWaalsContact CG-CB 3.47Å; D526-E529 PolarHBondContact OD1-N 2.96Å; D526-E529 VanDerWaalsContact OD2-CB 3.3Å; D526-E529 WeakPolarHBondContact OD2-CB 3.35Å; D526-Y530 WeakPolarHBondContact O-CB 3.42Å; D526-Y530 PolarHBondContact O-N 3.06Å | ||
| 527 | E | 90 | Very high | 81.3 | Confident | 55 Ų | 55 | 78.7 Ų | 78.7 | 26% | 0.257 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.1 | -32.7 | 178.8 | -177.1 | 58.4 | -159.7 | 0 | 0 | 112.5 | R464 V525 Y530 Q531 | R464-E527 IonicContact CZ-OE1 3.45Å; R464-E527 IonicContact CZ-OE2 3.28Å; R464-E527 IonicContact NE-OE1 3.18Å; R464-E527 IonicContact NE-OE2 3.39Å; R464-E527 PolarHBondContact NE-OE2 3.29Å; R464-E527 IonicContact NH2-OE1 2.71Å; R464-E527 PolarHBondContact NH2-OE1 3.29Å; R464-E527 IonicContact NH2-OE2 3.54Å; R464-E527 PolarHBondContact NH2-OE2 3.48Å; V525-E527 PolarHBondContact O-N 3.02Å; E527-Y530 PolarHBondContact O-N 3.45Å; E527-Q531 WeakPolarHBondContact O-CB 3.43Å; E527-Q531 WeakPolarHBondContact O-CG 3.32Å; E527-Q531 PolarHBondContact O-N 3.16Å; E527-Q531 PolarHBondContact OE1-NE2 3.29Å |
| 528 | V | 88.8 | Confident | 79.2 | Confident | 93 Ų | 93 | 85 Ų | 85 | 56% | 0.564 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -72.9 | -44.7 | -179 | -168.7 | 0 | 0 | 0 | 0 | 109.8 | D526 Y530 Q531 K532 | D526-V528 VanDerWaalsContact C-N 3.3Å; D526-V528 PolarHBondContact O-N 3.04Å; D526-V528 WeakPolarHBondContact OD1-CA 3.43Å; D526-V528 WeakPolarHBondContact OD1-CB 3.43Å; D526-V528 PolarHBondContact OD1-N 2.91Å; V528-Y530 VanDerWaalsContact C-N 3.33Å; V528-Q531 PolarHBondContact O-N 3.2Å; V528-K532 WeakPolarHBondContact O-CG 3.41Å; V528-K532 PolarHBondContact O-N 3.44Å |
| 529 | E | 90.2 | Very high | 77.4 | Confident | 32 Ų | 32 | 84.1 Ų | 84.1 | 15% | 0.15 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.4 | -31.8 | 172.9 | -174.7 | 66.1 | -169 | 0 | 0 | 112.3 | K510 C511 D526 K532 R533 | K510-E529 HydrophobicContact CB-CG 3.75Å; K510-E529 WeakPolarHBondContact CB-OE1 3.17Å; C511-E529 HydrophobicContact CB-CB 4.13Å; C511-E529 HydrophobicContact CB-CG 4.12Å; D526-E529 HydrophobicContact CB-CB 3.97Å; D526-E529 VanDerWaalsContact CG-CB 3.47Å; D526-E529 PolarHBondContact OD1-N 2.96Å; D526-E529 VanDerWaalsContact OD2-CB 3.3Å; D526-E529 WeakPolarHBondContact OD2-CB 3.35Å; E529-K532 WeakPolarHBondContact OE2-CD 3.49Å; E529-K532 WeakPolarHBondContact OE2-CE 3.4Å; E529-K532 IonicContact OE2-NZ 3.87Å; E529-K532 PolarHBondContact OE2-NZ 3.33Å; E529-R533 WeakPolarHBondContact O-CG 3.47Å; E529-R533 PolarHBondContact O-N 3.03Å; E529-R533 IonicContact OE1-NE 2.71Å |
| 530 | Y | 86.8 | Confident | 75.2 | Confident | 17 Ų | 17 | 77.7 Ų | 77.7 | 7% | 0.067 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 170.8 | -177.8 | -95.4 | 0 | 0 | 0 | 111.5 | S461 R464 C511 D526 E527 V528 R533 R534 | S461-Y530 PolarHBondContact OG-OH 3.39Å; R464-Y530 HydrophobicContact CB-CE2 4.38Å; R464-Y530 VanDerWaalsContact CD-CD1 3.45Å; R464-Y530 VanDerWaalsContact CD-CZ 3.47Å; C511-Y530 HydrophobicContact CB-CD2 4.48Å; D526-Y530 WeakPolarHBondContact O-CB 3.42Å; D526-Y530 PolarHBondContact O-N 3.06Å; E527-Y530 PolarHBondContact O-N 3.45Å; V528-Y530 VanDerWaalsContact C-N 3.33Å; Y530-R533 PolarHBondContact O-N 3.3Å; Y530-R534 VanDerWaalsContact CE1-NE 3.33Å; Y530-R534 PolarHBondContact OH-NH2 3.37Å |
| 531 | Q | 85.3 | Confident | 72.3 | Confident | 110 Ų | 110 | 80.5 Ų | 80.5 | 51% | 0.514 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.9 | -40.7 | 178.4 | -74.6 | 177 | 20.8 | 0 | 0 | 112.7 | E527 V528 R533 R534 | E527-Q531 WeakPolarHBondContact O-CB 3.43Å; E527-Q531 WeakPolarHBondContact O-CG 3.32Å; E527-Q531 PolarHBondContact O-N 3.16Å; E527-Q531 PolarHBondContact OE1-NE2 3.29Å; V528-Q531 PolarHBondContact O-N 3.2Å; Q531-R533 PolarHBondContact O-N 3.19Å; Q531-R533 VanDerWaalsContact O-N 3.13Å; Q531-R534 PolarHBondContact O-N 3.02Å |
| 532 | K | 83.6 | Confident | 69.8 | Low | 134 Ų | 134 | 85.7 Ų | 85.7 | 58% | 0.583 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -54.2 | -30.5 | 172.9 | -73.8 | 175.3 | -129.2 | 158.4 | 0 | 113.4 | V528 E529 | V528-K532 WeakPolarHBondContact O-CG 3.41Å; V528-K532 PolarHBondContact O-N 3.44Å; E529-K532 WeakPolarHBondContact OE2-CD 3.49Å; E529-K532 WeakPolarHBondContact OE2-CE 3.4Å; E529-K532 IonicContact OE2-NZ 3.87Å; E529-K532 PolarHBondContact OE2-NZ 3.33Å |
| 533 | R | 67.9 | Low | 67.4 | Low | 111 Ų | 111 | 90.7 Ų | 90.7 | 42% | 0.419 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -14 | 179 | -73.4 | 177.6 | 174.5 | -112 | 5.4 | 114.1 | H509 K510 E529 Y530 Q531 | H509-R533 PolarHBondContact ND1-NH1 3.05Å; K510-R533 VanDerWaalsContact N-NH2 3.2Å; E529-R533 WeakPolarHBondContact O-CG 3.47Å; E529-R533 PolarHBondContact O-N 3.03Å; E529-R533 IonicContact OE1-NE 2.71Å; Y530-R533 PolarHBondContact O-N 3.3Å; Q531-R533 PolarHBondContact O-N 3.19Å; Q531-R533 VanDerWaalsContact O-N 3.13Å |
| 534 | R | 63.1 | Low | 64.9 | Low | 106 Ų | 106 | 96.3 Ų | 96.3 | 40% | 0.4 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -82.4 | 135 | 166.5 | -65.7 | -176.5 | 172.2 | -157.1 | -5.4 | 107.5 | Y530 Q531 P536 | Y530-R534 VanDerWaalsContact CE1-NE 3.33Å; Y530-R534 PolarHBondContact OH-NH2 3.37Å; Q531-R534 PolarHBondContact O-N 3.02Å; R534-P536 WeakPolarHBondContact O-CD 3.47Å |
| 535 | P | 47.2 | Very low | 62.4 | Low | 115 Ų | 115 | 101.2 Ų | 101.2 | 75% | 0.747 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -51 | 128 | 168.4 | -25.2 | 34.3 | 0 | 0 | 0 | 108.9 | K537 | P535-K537 PolarHBondContact O-N 3.43Å; P535-K537 VanDerWaalsContact O-N 3.1Å |
| 536 | P | 46.9 | Very low | 59.8 | Low | 124 Ų | 124 | 109.3 Ų | 109.3 | 81% | 0.805 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 123.1 | 175.6 | -27.2 | 35.3 | 0 | 0 | 0 | 108.9 | R534 M538 | R534-P536 WeakPolarHBondContact O-CD 3.47Å; P536-M538 PolarHBondContact O-N 3.29Å |
| 537 | K | 45.3 | Very low | 57.3 | Low | 138 Ų | 138 | 114.1 Ų | 114.1 | 60% | 0.6 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 136.2 | 166.9 | -71.7 | -178.2 | 174.9 | -179.8 | 0 | 106.8 | P535 T539 | P535-K537 PolarHBondContact O-N 3.43Å; P535-K537 VanDerWaalsContact O-N 3.1Å; K537-T539 PolarHBondContact O-N 3.37Å |
| 538 | M | 40.7 | Very low | 54.7 | Low | 196 Ų | 196 | 119.8 Ų | 119.8 | 97% | 0.966 | 65% | 0.647 | S | S | * | * | trans | -74.7 | 60.5 | 177 | -160 | 174.2 | 78.5 | 0 | 0 | 110.5 | P536 G540 | P536-M538 PolarHBondContact O-N 3.29Å; M538-G540 PolarHBondContact O-N 2.89Å | ||
| 539 | T | 45 | Very low | 52.4 | Low | 122 Ų | 122 | 122.6 Ų | 122.6 | 75% | 0.748 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 117 | 167.7 | -175.3 | 0 | 0 | 0 | 0 | 107.3 | K537 S541 | K537-T539 PolarHBondContact O-N 3.37Å; T539-S541 PolarHBondContact O-N 3.21Å |
| 540 | G | 35.3 | Very low | 50 | Low | 63 Ų | 63 | 127.1 Ų | 127.1 | 65% | 0.649 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 139.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | M538 | M538-G540 PolarHBondContact O-N 2.89Š|
| 541 | S | 29.3 | Very low | 47.2 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 66% | 0.657 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 137.2 | 170.9 | -165.8 | 0 | 0 | 0 | 0 | 108.9 | T539 T543 | T539-S541 PolarHBondContact O-N 3.21Å; S541-T543 PolarHBondContact O-N 3.06Å; S541-T543 PolarHBondContact OG-OG1 3.17Å |
| 542 | P | 42.7 | Very low | 44.9 | Very low | 128 Ų | 128 | 134 Ų | 134 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 11.9 | -168.5 | 28.8 | -36.7 | 0 | 0 | 0 | 115.3 | ||
| 543 | T | 44.5 | Very low | 42.4 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 69% | 0.693 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 2 | -162.6 | -12.3 | 0 | 0 | 0 | 0 | 115.8 | S541 | S541-T543 PolarHBondContact O-N 3.06Å; S541-T543 PolarHBondContact OG-OG1 3.17Å |
| 544 | L | 45.8 | Very low | 40.8 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -121.9 | 26.8 | -174.9 | -78 | 176.2 | 0 | 0 | 0 | 115.7 | K546 | L544-K546 PolarHBondContact O-N 3.4Š| ||
| 545 | V | 43 | Very low | 39.4 | Very low | 134 Ų | 134 | 135 Ų | 135 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -100.1 | 57.2 | 174.8 | -164.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 546 | K | 41 | Very low | 38.9 | Very low | 193 Ų | 193 | 135.1 Ų | 135.1 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -152.6 | 29.4 | 172.2 | -147.1 | -175.8 | 176.7 | -179.7 | 0 | 116.2 | L544 | L544-K546 PolarHBondContact O-N 3.4Š|
| 547 | N | 40.2 | Very low | 38.5 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -149.4 | 18.7 | 177.1 | -119.2 | 10 | 0 | 0 | 0 | 116.7 | ||
| 548 | M | 35.7 | Very low | 38.5 | Very low | 175 Ų | 175 | 137 Ų | 137 | 86% | 0.862 | 82% | 0.817 | S | S | * | * | trans | -127.4 | 36.1 | 179.4 | -65.1 | -161 | -66.2 | 0 | 0 | 113.9 | ||||
| 549 | I | 40.9 | Very low | 38.7 | Very low | 152 Ų | 152 | 132 Ų | 132 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -131.1 | 66 | 167.6 | -48.8 | 86.5 | 0 | 0 | 0 | 109.6 | ||
| 550 | S | 39.7 | Very low | 38.4 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -173.4 | 126.6 | 161.9 | -96.2 | 0 | 0 | 0 | 0 | 108.5 | ||
| 551 | G | 29 | Very low | 38.5 | Very low | 80 Ų | 80 | 137.1 Ų | 137.1 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | 109.7 | 80.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 552 | L | 37.2 | Very low | 39.2 | Very low | 191 Ų | 191 | 140.6 Ų | 140.6 | 100% | 1 | 82% | 0.817 | S | S | * | * | trans | -80.3 | 116.4 | 154.5 | -75.5 | 169.8 | 0 | 0 | 0 | 107.7 | ||||
| 553 | G | 29.1 | Very low | 39.3 | Very low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -138.5 | 144 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 554 | F | 35.2 | Very low | 39.1 | Very low | 222 Ų | 222 | 137.5 Ų | 137.5 | 97% | 0.974 | 81% | 0.814 | S | S | * | * | trans | -82.9 | 135.5 | -169.4 | -126.4 | -111.9 | 0 | 0 | 0 | 112.8 | ||||
| 555 | G | 34.1 | Very low | 38.7 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | 89.1 | 104.8 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 556 | S | 36.3 | Very low | 38.3 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -163.2 | 99.7 | 133 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 557 | L | 38.9 | Very low | 37.8 | Very low | 181 Ų | 181 | 135.2 Ų | 135.2 | 95% | 0.948 | 81% | 0.813 | S | S | * | * | trans | -142.7 | 56.7 | 169.6 | -76.4 | -179.5 | 0 | 0 | 0 | 109.9 | ||||
| 558 | N | 46 | Very low | 37.3 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 64% | 0.642 | 82% | 0.815 | S | S | * | * | trans | -142.4 | 70.6 | 176.7 | -170.4 | 33.2 | 0 | 0 | 0 | 112.4 | ||||
| 559 | A | 44.3 | Very low | 37.2 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -134.3 | -17.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 560 | S | 39.3 | Very low | 36.7 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -99.3 | -12.7 | -176.1 | 49.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 561 | Y | 35.8 | Very low | 36.2 | Very low | 181 Ų | 181 | 130.9 Ų | 130.9 | 71% | 0.71 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -88.5 | -25.3 | -176.9 | -160.6 | -102.5 | 0 | 0 | 0 | 113.4 | A563 | Y561-A563 VanDerWaalsContact C-N 3.35Å; Y561-A563 PolarHBondContact O-N 3.41Å |
| 562 | Q | 44.9 | Very low | 36.2 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 78% | 0.78 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -7.3 | -172.2 | -146.4 | 168.1 | 17.9 | 0 | 0 | 114.1 | ||
| 563 | A | 44.6 | Very low | 36 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 2.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y561 | Y561-A563 VanDerWaalsContact C-N 3.35Å; Y561-A563 PolarHBondContact O-N 3.41Å |
| 564 | A | 39.3 | Very low | 35.9 | Very low | 80 Ų | 80 | 135.9 Ų | 135.9 | 66% | 0.661 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -114.4 | 9.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 565 | L | 37.5 | Very low | 35.6 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -122 | 14.1 | -172 | -66.3 | 178 | 0 | 0 | 0 | 114.7 | ||
| 566 | A | 35.5 | Very low | 35.2 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -132.5 | 75.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 567 | E | 30.6 | Very low | 35.8 | Very low | 192 Ų | 192 | 131.6 Ų | 131.6 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | 176.4 | 95.4 | 143.1 | -102 | 172.3 | -160.3 | 0 | 0 | 111 | ||||
| 568 | S | 30.5 | Very low | 35.4 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -165.6 | 66.8 | 165 | -85.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 569 | S | 32 | Very low | 34.7 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -155.1 | 105.8 | 165.7 | 38 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 570 | L | 31.9 | Very low | 34.1 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -78.2 | 139.1 | 174.9 | -64.3 | 168.6 | 0 | 0 | 0 | 110.5 | ||||
| 571 | S | 28.4 | Very low | 34.8 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 174.7 | 130.6 | 130.2 | -84.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 572 | L | 29.4 | Very low | 35.3 | Very low | 156 Ų | 156 | 129.4 Ų | 129.4 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | 75.6 | 133.8 | 135.3 | -67.3 | 171 | 0 | 0 | 0 | 122.8 | ||||
| 573 | L | 33 | Very low | 34.5 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | 81.5 | 91.9 | 152.5 | -64.5 | 170.5 | 0 | 0 | 0 | 122.2 | ||||
| 574 | N | 27.2 | Very low | 33.8 | Very low | 144 Ų | 144 | 127 Ų | 127 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | 73.4 | 149.3 | 110.2 | -157.6 | 28.4 | 0 | 0 | 0 | 122.6 | |||||
| 575 | S | 28.3 | Very low | 33.4 | Very low | 103 Ų | 103 | 127.2 Ų | 127.2 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | 71.4 | 124 | 163 | 55.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 576 | S | 26 | Very low | 33.1 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -98.1 | -171.8 | 154 | -42.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 577 | P | 47.6 | Very low | 33 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | cis | -141.9 | -169.4 | 4.1 | 45.1 | -26.4 | 0 | 0 | 0 | 116.1 | ||||
| 578 | L | 30.5 | Very low | 33.1 | Very low | 153 Ų | 153 | 124.4 Ų | 124.4 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | 66.6 | 161 | 164.5 | -95.9 | 56.4 | 0 | 0 | 0 | 115.7 | ||||
| 579 | V | 31.8 | Very low | 33.1 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | cis | -136.7 | -176.9 | 8.1 | -127.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 580 | T | 31.9 | Very low | 33 | Very low | 131 Ų | 131 | 126.4 Ų | 126.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -94.4 | -142.2 | 177.7 | 46.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 581 | P | 55.3 | Low | 32.9 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | -112.3 | -158.8 | -125.5 | 40.6 | -19.2 | 0 | 0 | 0 | 111.9 | |||||
| 582 | P | 44.4 | Very low | 33.1 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | cis | -145.8 | 171.8 | 4.9 | 44.9 | -25.7 | 0 | 0 | 0 | 119.6 | ||||
| 583 | S | 30 | Very low | 33.1 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | 70.7 | 154.5 | 142.1 | -70.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 584 | A | 29.2 | Very low | 32.9 | Very low | 101 Ų | 101 | 124 Ų | 124 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | 69.9 | 155.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 585 | A | 30.3 | Very low | 33 | Very low | 84 Ų | 84 | 123.2 Ų | 123.2 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | cis | -167.3 | 166.6 | -28.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 586 | S | 31.2 | Very low | 33.2 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | 63 | 119.2 | 150.7 | -61.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 587 | L | 33.6 | Very low | 33.6 | Very low | 153 Ų | 153 | 126.7 Ų | 126.7 | 80% | 0.801 | 76% | 0.756 | S | S | * | * | trans | 65.5 | 158.8 | 133.3 | -54.5 | 173.4 | 0 | 0 | 0 | 116.9 | ||||
| 588 | N | 31.7 | Very low | 32.7 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 65% | 0.652 | 76% | 0.758 | S | S | * | * | cis | -168 | 164.8 | 25.9 | -145.3 | -4.2 | 0 | 0 | 0 | 111.7 | ||||
| 589 | M | 31.1 | Very low | 32.5 | Very low | 146 Ų | 146 | 124 Ų | 124 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | trans | 58.4 | 157.3 | 157.8 | -54.6 | -49.4 | -118.6 | 0 | 0 | 119.6 | ||||
| 590 | L | 30.7 | Very low | 32.6 | Very low | 145 Ų | 145 | 123.2 Ų | 123.2 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | cis | 166.8 | 174.2 | -33.5 | -104.4 | -172.9 | 0 | 0 | 0 | 105.9 | ||||
| 591 | H | 29.9 | Very low | 32.6 | Very low | 169 Ų | 169 | 123.2 Ų | 123.2 | 78% | 0.782 | 75% | 0.747 | S | S | * | * | trans | 77.3 | 107.3 | 172 | -121 | -125.2 | 0 | 0 | 0 | 115.5 | ||||
| 592 | V | 32 | Very low | 31.4 | Very low | 128 Ų | 128 | 125 Ų | 125 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | 88.3 | 133.9 | 84.1 | 157.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 593 | G | 28.3 | Very low | 30.8 | Very low | 68 Ų | 68 | 126.5 Ų | 126.5 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | cis | 166.7 | -153.2 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 594 | H | 30.2 | Very low | 30.8 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | trans | 99 | 136.7 | 170.9 | -147.6 | -70.6 | 0 | 0 | 0 | 119.1 | ||||
| 595 | D | 29.2 | Very low | 30.7 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | trans | -64.4 | 169.4 | 175.8 | -52.4 | -105.1 | 0 | 0 | 0 | 113 | ||||
| 596 | D | 31.3 | Very low | 30.7 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | cis | -158.3 | 153.9 | 40.9 | -109.5 | -69.4 | 0 | 0 | 0 | 113.9 | ||||
| 597 | V | 35.8 | Very low | 30.6 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 89% | 0.891 | 74% | 0.74 | S | S | * | * | 164 | 156.5 | 127.7 | 73.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 598 | S | 27.5 | Very low | 30.4 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | -123 | 173.7 | -154.8 | -166.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 599 | S | 28 | Very low | 30.2 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | 77.5 | 140 | 166.8 | -60.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 600 | T | 32 | Very low | 30.1 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | cis | -167.5 | 143.4 | -11 | 20.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 601 | V | 33.4 | Very low | 30.2 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | 55.3 | 146.1 | 154.3 | -53.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 602 | E | 30.3 | Very low | 30.9 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | cis | -154.8 | 163.9 | -1.9 | -131.8 | -168.9 | 139.4 | 0 | 0 | 113.3 | ||||
| 603 | Q | 30.5 | Very low | 30.8 | Very low | 142 Ų | 142 | 121.7 Ų | 121.7 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | trans | 65 | 115.4 | 148.3 | -79.8 | -175.5 | 35.1 | 0 | 0 | 124.1 | ||||
| 604 | V | 30.5 | Very low | 30.8 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | trans | 71.5 | 112 | 138.3 | -54.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 605 | N | 27.7 | Very low | 30.8 | Very low | 146 Ų | 146 | 123.9 Ų | 123.9 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | 56.4 | 147.1 | 120.6 | -54.1 | 7 | 0 | 0 | 0 | 121.7 | |||||
| 606 | S | 30.3 | Very low | 31.6 | Very low | 89 Ų | 89 | 122.9 Ų | 122.9 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | cis | -172.4 | 142.8 | -20.4 | -92.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 607 | N | 29.2 | Very low | 31.4 | Very low | 167 Ų | 167 | 123.9 Ų | 123.9 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | trans | 65.2 | 154 | 170.7 | -48.1 | -18.7 | 0 | 0 | 0 | 115.1 | ||||
| 608 | G | 29.5 | Very low | 31.1 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | cis | -156.1 | 163.1 | -4.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 609 | S | 27.8 | Very low | 31 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | -99.2 | 148.8 | -160.6 | 48.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 610 | C | 27.1 | Very low | 30.8 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | trans | 59.1 | 123.7 | 146.2 | -62.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 611 | S | 32.8 | Very low | 30.8 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -62.5 | 161.8 | 144.1 | -36.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 612 | P | 45.5 | Very low | 31.1 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | -153.8 | 143.9 | 85.6 | 39.5 | -20.3 | 0 | 0 | 0 | 118.3 | |||||
| 613 | T | 29.4 | Very low | 30.9 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | 31.3 | 135.9 | 138 | 66.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 614 | L | 29.8 | Very low | 30.7 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | trans | 131.8 | 136.7 | 132.2 | -67.6 | -174 | 0 | 0 | 0 | 116.2 | ||||
| 615 | S | 29.2 | Very low | 30.5 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -97.4 | 171.9 | 167.1 | -44.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 616 | P | 45.7 | Very low | 30.4 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | -157.3 | 170.8 | 84.7 | 41.4 | -22.4 | 0 | 0 | 0 | 117.9 | |||||
| 617 | Q | 27.5 | Very low | 30.3 | Very low | 164 Ų | 164 | 137 Ų | 137 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | 64 | 155.8 | 154.1 | -78.8 | 174.2 | -56.4 | 0 | 0 | 118.6 | ||||
| 618 | Q | 28.9 | Very low | 30.1 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | cis | -164.8 | 146.8 | -19.2 | -130.1 | 172.8 | -42.5 | 0 | 0 | 108.8 | ||||
| 619 | Y | 25.9 | Very low | 30.8 | Very low | 225 Ų | 225 | 138.2 Ų | 138.2 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | trans | 169.3 | -171.8 | 135.6 | -108.7 | -90.5 | 0 | 0 | 0 | 113 | ||||
| 620 | S | 23.9 | Very low | 30.8 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | -117 | 162.2 | -146.6 | 57.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 621 | H | 31.8 | Very low | 30.9 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 83% | 0.833 | 75% | 0.754 | S | S | * | * | trans | -42.9 | 158.5 | 161.3 | -66.7 | -60.5 | 0 | 0 | 0 | 115.1 | ||||
| 622 | P | 39 | Very low | 31.1 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | -159.3 | 159.4 | 61.3 | 43.9 | -21.6 | 0 | 0 | 0 | 122.8 | |||||
| 623 | V | 27.3 | Very low | 31.2 | Very low | 133 Ų | 133 | 146 Ų | 146 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | 74.9 | 135.4 | 133.3 | 165 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 624 | H | 25.4 | Very low | 31.4 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 88 | 111 | 151.5 | -111.5 | 24.5 | 0 | 0 | 0 | 125.6 | ||||
| 625 | V | 26.8 | Very low | 31.7 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 67% | 0.667 | 76% | 0.763 | S | S | * | * | 43 | 129.2 | 114.9 | 174 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 626 | K | 24.9 | Very low | 31.7 | Very low | 181 Ų | 181 | 146.8 Ų | 146.8 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | -164.1 | 177.1 | 113.2 | -154.5 | 147.3 | -171.2 | -172.2 | 0 | 114.3 | |||||
| 627 | E | 29.1 | Very low | 31.2 | Very low | 146 Ų | 146 | 152.6 Ų | 152.6 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | trans | -96 | 159.7 | -159.4 | -55.7 | 148.5 | 98 | 0 | 0 | 116.6 | ||||
| 628 | E | 24.1 | Very low | 32.2 | Very low | 174 Ų | 174 | 150.2 Ų | 150.2 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | 44.3 | -179.1 | 139.5 | -103.6 | -145.5 | 99.1 | 0 | 0 | 122.4 | ||||
| 629 | P | 45.1 | Very low | 32.3 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | cis | -135.9 | -168.9 | 3.5 | 38.8 | -17.6 | 0 | 0 | 0 | 118.4 | ||||
| 630 | T | 28.4 | Very low | 32.5 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | trans | 85.7 | 106.5 | 146.6 | 37.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 631 | E | 29.5 | Very low | 32.7 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | 46 | 133.7 | 116 | -61.4 | 179.2 | 166.7 | 0 | 0 | 124.3 | |||||
| 632 | V | 36.4 | Very low | 32.6 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 93% | 0.933 | 77% | 0.768 | S | S | * | * | -157 | 162.6 | 116.6 | -75.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 633 | E | 46.3 | Very low | 32.2 | Very low | 182 Ų | 182 | 144 Ų | 144 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -140.5 | 140.7 | -177.1 | -179.1 | -172.7 | 135.1 | 0 | 0 | 112.4 | ||||
| 634 | E | 34.4 | Very low | 32.3 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -171 | 123 | 155.2 | -106 | -176.8 | 94.8 | 0 | 0 | 105.3 | ||||
| 635 | D | 36.7 | Very low | 32.6 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 65% | 0.647 | 77% | 0.771 | S | S | * | * | cis | 79.3 | 128.8 | 45.8 | -162.3 | 43.2 | 0 | 0 | 0 | 116.9 | ||||
| 636 | S | 29.4 | Very low | 32.8 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 163.2 | 120.5 | 156.7 | -80.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 637 | R | 34.6 | Very low | 33 | Very low | 229 Ų | 229 | 138.8 Ų | 138.8 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | -103 | -160.1 | 173 | -62.4 | -178.1 | 174.6 | -178.1 | -1 | 108.8 | ||||
| 638 | P | 48.4 | Very low | 33 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | cis | -149.3 | 178 | 1.7 | 44.7 | -23.7 | 0 | 0 | 0 | 119.6 | ||||
| 639 | V | 31.8 | Very low | 33.4 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | 70.5 | 101.9 | 139.5 | 162.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 640 | S | 28.7 | Very low | 33.3 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | 70.1 | 158.1 | 110.4 | -143.9 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 641 | L | 29.1 | Very low | 33.6 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | 92.4 | 110.5 | 156.2 | -56.4 | -176.7 | 0 | 0 | 0 | 124 | ||||
| 642 | L | 29.8 | Very low | 34.2 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | 56.2 | 123.1 | 123.6 | -62.5 | 177.6 | 0 | 0 | 0 | 125.9 | |||||
| 643 | A | 30.1 | Very low | 33.8 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 88% | 0.884 | 78% | 0.782 | S | S | * | * | 78.1 | 146.6 | 124.2 | 0 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 644 | G | 29.1 | Very low | 33.1 | Very low | 65 Ų | 65 | 132.7 Ų | 132.7 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | trans | 135.6 | 104.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 645 | V | 31.1 | Very low | 33.1 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | 72.8 | 118 | 70.6 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 646 | T | 31 | Very low | 33 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | -152.3 | 153.9 | 55.3 | 48.3 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 647 | H | 30.6 | Very low | 33.1 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | trans | 26.4 | 151.7 | 142.7 | -40.8 | -58.9 | 0 | 0 | 0 | 122.9 | ||||
| 648 | S | 28.4 | Very low | 33.5 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | cis | -151.2 | 171.3 | 26.2 | -61 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 649 | L | 32.5 | Very low | 32.9 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | trans | -118.4 | -174.4 | 177.6 | -68.2 | 166.8 | 0 | 0 | 0 | 110.5 | ||||
| 650 | P | 43.7 | Very low | 33.1 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | cis | -137.1 | -167 | 1.3 | 42.7 | -22.5 | 0 | 0 | 0 | 116.5 | ||||
| 651 | L | 33 | Very low | 33.3 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -79 | 166.1 | 165.4 | -61.2 | 165.2 | 0 | 0 | 0 | 111.9 | ||||
| 652 | P | 43.8 | Very low | 33.8 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | -127.1 | 170.2 | 80.8 | 8.6 | 14.8 | 0 | 0 | 0 | 113.2 | |||||
| 653 | S | 28.2 | Very low | 34.8 | Very low | 95 Ų | 95 | 137 Ų | 137 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | cis | 95.7 | 118.7 | 28.3 | -123.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 654 | D | 30.5 | Very low | 35.6 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | trans | 76.1 | 112.2 | 147.7 | -52.9 | -50.4 | 0 | 0 | 0 | 124.7 | ||||
| 655 | E | 33.6 | Very low | 36.3 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | 75.1 | 145.8 | 124.3 | -65.7 | -170.8 | 139 | 0 | 0 | 124.3 | |||||
| 656 | R | 35.2 | Very low | 37.1 | Very low | 219 Ų | 219 | 143.4 Ų | 143.4 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | 83 | 159.1 | 167 | -65 | 166.5 | -60.4 | 176 | 4.3 | 117.3 | ||||
| 657 | D | 32 | Very low | 37.9 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | cis | -177 | -174 | -32.3 | -149.5 | -36.4 | 0 | 0 | 0 | 105.6 | ||||
| 658 | L | 42.9 | Very low | 38.6 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | 70.4 | 129 | 179.9 | -56.8 | 110.1 | 0 | 0 | 0 | 113.8 | ||||
| 659 | E | 36.2 | Very low | 39.1 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | cis | 94.1 | 139.5 | 40.1 | -75.3 | -165.2 | 114.3 | 0 | 0 | 114.1 | ||||
| 660 | E | 35.3 | Very low | 39.4 | Very low | 181 Ų | 181 | 150.5 Ų | 150.5 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | 61.5 | 154.2 | 177.3 | -68.5 | 175 | 20.5 | 0 | 0 | 116.2 | ||||
| 661 | D | 32.4 | Very low | 39.2 | Very low | 136 Ų | 136 | 152.2 Ų | 152.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -138.5 | 166.2 | 6.5 | -169.7 | -148.8 | 0 | 0 | 0 | 112.2 | ||||
| 662 | L | 41.2 | Very low | 39.5 | Very low | 142 Ų | 142 | 151.8 Ų | 151.8 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -132 | 116.1 | 178.2 | -143.3 | -176.1 | 0 | 0 | 0 | 110.3 | ||||
| 663 | P | 51 | Low | 39.3 | Very low | 109 Ų | 109 | 153.8 Ų | 153.8 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | -95.6 | 138.6 | 161.8 | -13.5 | 31.5 | 0 | 0 | 0 | 113 | ||||
| 664 | T | 44.9 | Very low | 40 | Very low | 116 Ų | 116 | 157.7 Ų | 157.7 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | -89.4 | -164.6 | 174.3 | -50.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 665 | E | 45.3 | Very low | 40.7 | Very low | 171 Ų | 171 | 159.9 Ų | 159.9 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | 83.4 | 157.6 | 165 | -38.9 | -89 | 99.9 | 0 | 0 | 116 | ||||
| 666 | E | 46.5 | Very low | 41.2 | Very low | 155 Ų | 155 | 159.8 Ų | 159.8 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | -162.4 | 160.8 | -62.2 | -164.3 | -179.3 | 106.2 | 0 | 0 | 106.2 | |||||
| 667 | L | 49.2 | Very low | 41.7 | Very low | 147 Ų | 147 | 154.9 Ų | 154.9 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | 67.3 | 154.8 | 177.7 | -55.5 | 112.9 | 0 | 0 | 0 | 114.9 | ||||
| 668 | E | 44.1 | Very low | 42.6 | Very low | 263 Ų | 263 | 157 Ų | 157 | 100% | 1.229 | 80% | 0.798 | S | S | * | * | cis | -128.6 | 0 | 11.3 | -171.2 | 176.9 | 116 | 0 | 0 | 112 |
Retrieved 668 of 668 residues in 90 ms
(Link to these results)