| 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 | 37.3 | Very low | 44.5 | Very low | 232 Ų | 232 | 135.7 Ų | 135.7 | 100% | 1.143 | 72% | 0.718 | S | S | * | * | 0 | 107.2 | 0 | -69.1 | 166.8 | 76.9 | 0 | 0 | 107.9 | |||||
| 2 | V | 42 | Very low | 43.7 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | trans | -92.9 | 101.9 | 176.7 | -179 | 0 | 0 | 0 | 0 | 106.3 | Q4 | V2-Q4 PolarHBondContact O-N 2.76Š| ||
| 3 | N | 46 | Very low | 43.4 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 61% | 0.61 | 73% | 0.733 | S | S | * | * | trans | -69.9 | 108.8 | 175.3 | -95.1 | -2 | 0 | 0 | 0 | 108.7 | V5 | N3-V5 PolarHBondContact O-N 3.14Š| ||
| 4 | Q | 48.7 | Very low | 43.3 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 57% | 0.565 | 73% | 0.728 | S | S | * | * | trans | -72.8 | 115.4 | 164.2 | -72 | -159.1 | 38 | 0 | 0 | 108.6 | V2 Y6 | V2-Q4 PolarHBondContact O-N 2.76Å; Q4-Y6 HydrophobicContact CB-CD2 4.2Å; Q4-Y6 HydrophobicContact CB-CE2 3.67Å; Q4-Y6 PolarHBondContact O-N 2.95Å; Q4-Y6 VanDerWaalsContact OE1-CZ 3.27Å; Q4-Y6 PolarHBondContact OE1-OH 3.24Å | ||
| 5 | V | 44.9 | Very low | 42.9 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | trans | -80.5 | 112.1 | 169.3 | 178.5 | 0 | 0 | 0 | 0 | 107 | N3 L7 | N3-V5 PolarHBondContact O-N 3.14Å; V5-L7 HydrophobicContact CG1-CD1 3.82Å; V5-L7 HydrophobicContact CG1-CG 4.21Å | ||
| 6 | Y | 43.3 | Very low | 42.6 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 47% | 0.467 | 73% | 0.733 | S | S | . | * | trans | -97 | 119.7 | 171.1 | -70.4 | -83.4 | 0 | 0 | 0 | 108.6 | Q4 T666 | Q4-Y6 HydrophobicContact CB-CD2 4.2Å; Q4-Y6 HydrophobicContact CB-CE2 3.67Å; Q4-Y6 PolarHBondContact O-N 2.95Å; Q4-Y6 VanDerWaalsContact OE1-CZ 3.27Å; Q4-Y6 PolarHBondContact OE1-OH 3.24Å; Y6-T666 HydrophobicContact CE1-CG2 4.47Å; Y6-T666 HydrophobicContact CE2-CG2 4.12Å; Y6-T666 WeakPolarHBondContact OH-CG2 3.36Å | ||
| 7 | L | 42.2 | Very low | 42.5 | Very low | 79 Ų | 79 | 133.1 Ų | 133.1 | 41% | 0.414 | 74% | 0.737 | S | S | . | * | trans | -116.7 | 123.5 | 173.9 | -85.1 | 150.9 | 0 | 0 | 0 | 109 | V5 L462 T465 | V5-L7 HydrophobicContact CG1-CD1 3.82Å; V5-L7 HydrophobicContact CG1-CG 4.21Å; L7-L462 HydrophobicContact CB-CD2 4.41Å; L7-L462 HydrophobicContact CD1-CB 4.48Å; L7-L462 HydrophobicContact CD1-CD2 4.05Å; L7-T465 HydrophobicContact CD2-CG2 4.02Å | ||
| 8 | L | 47.6 | Very low | 42.1 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | trans | -93.6 | 135.9 | -177.4 | -158.9 | 76.9 | 0 | 0 | 0 | 109.3 | ||||
| 9 | P | 52.2 | Low | 42.1 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | trans | -72.8 | 129.8 | 176.7 | 26.3 | -30.1 | 0 | 0 | 0 | 111.3 | ||||
| 10 | K | 41.5 | Very low | 41.9 | Very low | 213 Ų | 213 | 131.5 Ų | 131.5 | 93% | 0.926 | 74% | 0.739 | S | S | * | * | trans | -90.4 | 113.7 | 168 | -99.5 | -177.8 | 173.4 | -179.1 | 0 | 109.3 | ||||
| 11 | S | 44 | Very low | 41.9 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | trans | -67.8 | 130.6 | 161.6 | 23.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 12 | G | 35.4 | Very low | 42.6 | Very low | 75 Ų | 75 | 124.9 Ų | 124.9 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -84 | 127.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 13 | I | 39.2 | Very low | 42.4 | Very low | 167 Ų | 167 | 123.3 Ų | 123.3 | 86% | 0.856 | 72% | 0.721 | S | S | * | * | trans | -138.6 | 139.8 | 149.9 | -57.4 | -176.5 | 0 | 0 | 0 | 107.1 | ||||
| 14 | T | 42.2 | Very low | 42 | Very low | 108 Ų | 108 | 123 Ų | 123 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | trans | -73.1 | 159.7 | -162.1 | 49.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 15 | N | 37.7 | Very low | 41.3 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | 87.4 | 125.8 | 148.9 | -60.5 | -19.7 | 0 | 0 | 0 | 120.1 | ||||
| 16 | N | 36.7 | Very low | 41 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | trans | 100.9 | 107.2 | 144.9 | -70.9 | 6.5 | 0 | 0 | 0 | 120.1 | ||||
| 17 | V | 41.1 | Very low | 40.8 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | 87 | 103.4 | 136.7 | -175.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 18 | L | 35.8 | Very low | 40.6 | Very low | 155 Ų | 155 | 136 Ų | 136 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -65.7 | 154.4 | 159.6 | -163.8 | 71.3 | 0 | 0 | 0 | 109.7 | ||||
| 19 | P | 42 | Very low | 39.8 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | -142.8 | 140.3 | 102.4 | 36.6 | -20.7 | 0 | 0 | 0 | 114.8 | |||||
| 20 | S | 38.5 | Very low | 38.9 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | 65 | 112.4 | 141.2 | 46.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 21 | A | 42.5 | Very low | 38.7 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 149.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 22 | P | 50.7 | Low | 38.4 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 122.5 | 159.1 | 32.1 | -26.4 | 0 | 0 | 0 | 109.6 | ||
| 23 | S | 38.7 | Very low | 38.2 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 166.5 | 170 | -163.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 24 | V | 36.6 | Very low | 38 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 65% | 0.648 | 78% | 0.782 | S | S | * | * | trans | 84.2 | 99.8 | 157.5 | -142.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 25 | M | 34 | Very low | 37.3 | Very low | 189 Ų | 189 | 134.4 Ų | 134.4 | 93% | 0.931 | 79% | 0.788 | S | S | * | * | -139.9 | 92.7 | 122.8 | -109.3 | -163.9 | 160.9 | 0 | 0 | 109.5 | |||||
| 26 | Q | 40.1 | Very low | 37 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -69.1 | 118.1 | 161.7 | -78.3 | 175.5 | -30.9 | 0 | 0 | 108.2 | R28 | Q26-R28 PolarHBondContact O-N 3.02Š| ||
| 27 | V | 38.1 | Very low | 36.8 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -81.5 | 96.5 | 163 | -178.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 28 | R | 38.2 | Very low | 36.6 | Very low | 209 Ų | 209 | 137.1 Ų | 137.1 | 79% | 0.789 | 80% | 0.796 | S | S | * | * | trans | -72.6 | 138.3 | 168.9 | -93.6 | 178.4 | 168.8 | 143.4 | -4.3 | 109.8 | Q26 | Q26-R28 PolarHBondContact O-N 3.02Š| ||
| 29 | S | 30.3 | Very low | 36.6 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | -44.4 | 136.2 | 170 | -173.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 30 | L | 34.3 | Very low | 36.4 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | -121.9 | 94.7 | 151.6 | -74.6 | 173.6 | 0 | 0 | 0 | 107.1 | ||||
| 31 | A | 37.5 | Very low | 36.1 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -103 | 104.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 32 | V | 36.3 | Very low | 35.8 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -90.6 | 123.5 | 152.4 | 173.4 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 33 | G | 31.8 | Very low | 34.8 | Very low | 66 Ų | 66 | 140 Ų | 140 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | cis | 112.4 | 69.8 | 36.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 34 | Q | 34.3 | Very low | 34.4 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | trans | -156.2 | 119.3 | 155.1 | -111.6 | 174 | 10.8 | 0 | 0 | 110.8 | ||||
| 35 | T | 27.5 | Very low | 34 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -78.8 | 139.1 | -176.8 | 42.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 36 | V | 32.3 | Very low | 33.6 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -156.1 | 101.9 | 132.2 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 37 | L | 33.1 | Very low | 33.2 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | 42.5 | 110.1 | 135.4 | -53.9 | 172.4 | 0 | 0 | 0 | 121.4 | ||||
| 38 | Q | 35.7 | Very low | 32.7 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -87.4 | 178.7 | 143.8 | -60.7 | -179.4 | 31.3 | 0 | 0 | 109.6 | ||||
| 39 | P | 36.2 | Very low | 32.2 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | -155.9 | 167.8 | 87.7 | 39.3 | -18.7 | 0 | 0 | 0 | 118.6 | |||||
| 40 | N | 37 | Very low | 32 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | 87.8 | 120.8 | 159.6 | -58.3 | -11.1 | 0 | 0 | 0 | 118.4 | ||||
| 41 | G | 32.6 | Very low | 31.7 | Very low | 73 Ų | 73 | 136.5 Ų | 136.5 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | cis | 108.2 | 97 | 0.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 42 | V | 36.7 | Very low | 31.5 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -156 | 130.6 | 150.6 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 43 | L | 29.4 | Very low | 31.2 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -71.7 | 148.6 | 171.8 | -99.6 | 75.9 | 0 | 0 | 0 | 113.4 | ||||
| 44 | A | 30.8 | Very low | 31 | Very low | 92 Ų | 92 | 140.1 Ų | 140.1 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -174 | 112.2 | 137.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 45 | T | 26.9 | Very low | 30.8 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 6.5 | 140.7 | 143.2 | 56.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 46 | T | 27.4 | Very low | 31 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | 70.4 | 157.5 | 145.7 | 61 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 47 | P | 29.8 | Very low | 31.2 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | cis | -126.1 | 163 | -18.1 | 30.7 | -10.9 | 0 | 0 | 0 | 114.5 | M49 | P47-M49 PolarHBondContact O-N 3.33Š| ||
| 48 | V | 27.8 | Very low | 31.6 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 90% | 0.897 | 75% | 0.753 | S | S | * | * | trans | -61.6 | 120.2 | 168.1 | 174.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 49 | M | 28.9 | Very low | 32.4 | Very low | 165 Ų | 165 | 122.6 Ų | 122.6 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | trans | -111.9 | 146.2 | 164.1 | -81.2 | -150 | 105.3 | 0 | 0 | 110.7 | P47 R51 | P47-M49 PolarHBondContact O-N 3.33Å; M49-R51 PolarHBondContact O-N 3.18Å | ||
| 50 | P | 26.2 | Very low | 33.7 | Very low | 109 Ų | 109 | 117.4 Ų | 117.4 | 71% | 0.708 | 70% | 0.697 | S | S | * | * | trans | -75.1 | 122.6 | -161.4 | 30.3 | -33 | 0 | 0 | 0 | 110.8 | V52 | P50-V52 PolarHBondContact O-N 3.25Å; P50-V52 VanDerWaalsContact O-N 3.13Å | ||
| 51 | R | 27.7 | Very low | 35.1 | Very low | 236 Ų | 236 | 113.8 Ų | 113.8 | 89% | 0.891 | 68% | 0.68 | S | S | * | * | trans | -70.5 | 109.2 | 166.3 | -176.6 | 168.5 | 172.1 | 94.2 | -1.6 | 107.6 | M49 V53 | M49-R51 PolarHBondContact O-N 3.18Å; R51-V53 PolarHBondContact O-N 3.21Å | ||
| 52 | V | 32.6 | Very low | 36.9 | Very low | 129 Ų | 129 | 117 Ų | 117 | 78% | 0.782 | 67% | 0.674 | S | S | * | * | trans | -42.7 | 111.9 | 170.2 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | P50 | P50-V52 PolarHBondContact O-N 3.25Å; P50-V52 VanDerWaalsContact O-N 3.13Å | ||
| 53 | V | 29.5 | Very low | 38.9 | Very low | 121 Ų | 121 | 109.8 Ų | 109.8 | 73% | 0.733 | 63% | 0.63 | S | S | * | * | trans | -74.7 | 155.8 | 155.7 | 176.1 | 0 | 0 | 0 | 0 | 106.9 | R51 | R51-V53 PolarHBondContact O-N 3.21Š| ||
| 54 | T | 28.6 | Very low | 41.2 | Very low | 124 Ų | 124 | 102.7 Ų | 102.7 | 76% | 0.761 | 59% | 0.593 | S | S | * | * | trans | 106.7 | 114.9 | 169.5 | -40.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 55 | S | 29 | Very low | 43.5 | Very low | 97 Ų | 97 | 100.1 Ų | 100.1 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | cis | -162.1 | 144.1 | 28.8 | 33.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 56 | Q | 32.2 | Very low | 46.2 | Very low | 171 Ų | 171 | 96.7 Ų | 96.7 | 80% | 0.799 | 55% | 0.551 | S | S | * | * | trans | 20.9 | 95 | 151.4 | -54.4 | -160.3 | -36.6 | 0 | 0 | 119 | ||||
| 57 | L | 38 | Very low | 48.8 | Very low | 74 Ų | 74 | 90.4 Ų | 90.4 | 39% | 0.387 | 51% | 0.513 | S | S | . | . | trans | -130.6 | 78 | 169 | -147 | 66.4 | 0 | 0 | 0 | 111.8 | S60 T61 D133 V138 | L57-S60 WeakPolarHBondContact CD1-OG 3.12Å; L57-S60 WeakPolarHBondContact CG-OG 3.48Å; L57-T61 HydrophobicContact CD2-CG2 3.38Å; L57-T61 HydrophobicContact CG-CG2 3.92Å; L57-D133 WeakPolarHBondContact CD1-OD2 3.33Å; L57-V138 HydrophobicContact CD1-CG1 4.17Å; L57-V138 HydrophobicContact CD2-CG1 4.42Å | ||
| 58 | G | 40.4 | Very low | 51.2 | Low | 46 Ų | 46 | 88.1 Ų | 88.1 | 47% | 0.474 | 49% | 0.494 | S | S | . | . | trans | -79.1 | 135.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S60 | G58-S60 PolarHBondContact O-N 3.01Š| ||
| 59 | S | 52.1 | Low | 53.9 | Low | 48 Ų | 48 | 86.2 Ų | 86.2 | 34% | 0.336 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 54.3 | -22.3 | 162.2 | 69.6 | 0 | 0 | 0 | 0 | 120.7 | T61 K62 N126 L129 | S59-T61 PolarHBondContact O-N 3.33Å; S59-K62 PolarHBondContact O-N 2.93Å; S59-N126 WeakPolarHBondContact CB-OD1 3.48Å; S59-N126 PolarHBondContact O-OD1 3.42Å; S59-N126 PolarHBondContact OG-OD1 3.46Å; S59-L129 WeakPolarHBondContact OG-CD1 3.35Å |
| 60 | S | 63.2 | Low | 56.4 | Low | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.9 | -32.3 | 175.9 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | L57 G58 K62 L63 V64 D133 | L57-S60 WeakPolarHBondContact CD1-OG 3.12Å; L57-S60 WeakPolarHBondContact CG-OG 3.48Å; G58-S60 PolarHBondContact O-N 3.01Å; S60-K62 PolarHBondContact O-N 3.45Å; S60-L63 PolarHBondContact O-N 3.48Å; S60-L63 VanDerWaalsContact O-N 3.07Å; S60-V64 WeakPolarHBondContact O-CG2 3.5Å; S60-V64 PolarHBondContact O-N 2.81Å; S60-D133 WeakPolarHBondContact CB-OD2 3.39Å; S60-D133 PolarHBondContact OG-OD2 3.47Å |
| 61 | T | 66.9 | Low | 59 | Low | 75 Ų | 75 | 74.5 Ų | 74.5 | 46% | 0.46 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.1 | -31.1 | 176 | 51.9 | 0 | 0 | 0 | 0 | 113.2 | L57 S59 G65 | L57-T61 HydrophobicContact CD2-CG2 3.38Å; L57-T61 HydrophobicContact CG-CG2 3.92Å; S59-T61 PolarHBondContact O-N 3.33Å; T61-G65 PolarHBondContact O-N 2.9Å |
| 62 | K | 71.5 | Confident | 61.6 | Low | 141 Ų | 141 | 67.9 Ų | 67.9 | 61% | 0.613 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -73.1 | -37.6 | 177 | -60.7 | -176.4 | 179 | -177.2 | 0 | 111.5 | S59 S60 F66 F122 | S59-K62 PolarHBondContact O-N 2.93Å; S60-K62 PolarHBondContact O-N 3.45Å; K62-F66 VanDerWaalsContact O-CB 3.27Å; K62-F66 WeakPolarHBondContact O-CB 3.4Å; K62-F66 PolarHBondContact O-N 2.76Å; K62-F122 HydrophobicContact CB-CE2 4.1Å; K62-F122 HydrophobicContact CB-CZ 3.73Å |
| 63 | L | 77.3 | Confident | 63.8 | Low | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68 | -41.7 | 174.3 | -109.3 | -167.9 | 0 | 0 | 0 | 111.4 | S60 F66 F67 F122 I123 N126 L130 | S60-L63 PolarHBondContact O-N 3.48Å; S60-L63 VanDerWaalsContact O-N 3.07Å; L63-F66 HydrophobicContact CD2-CD1 4.25Å; L63-F66 PolarHBondContact O-N 2.91Å; L63-F67 HydrophobicContact CD1-CE2 4.34Å; L63-F67 HydrophobicContact CD2-CD2 4.3Å; L63-F67 HydrophobicContact CD2-CE1 4.18Å; L63-F67 HydrophobicContact CD2-CE2 3.68Å; L63-F67 HydrophobicContact CD2-CZ 3.6Å; L63-F67 HydrophobicContact CG-CE2 4.43Å; L63-F67 WeakPolarHBondContact O-CD2 3.16Å; L63-F67 WeakPolarHBondContact O-CG 3.3Å; L63-F67 PolarHBondContact O-N 3.25Å; L63-F122 HydrophobicContact CD2-CD1 4.39Å; L63-F122 HydrophobicContact CD2-CE1 3.94Å; L63-F122 HydrophobicContact CG-CE1 4.19Å; L63-F122 HydrophobicContact CG-CZ 4.46Å; L63-I123 HydrophobicContact CD2-CG1 4.26Å; L63-N126 HydrophobicContact CB-CB 4.31Å; L63-N126 HydrophobicContact CD1-CB 3.25Å; L63-N126 HydrophobicContact CG-CB 3.66Å; L63-L130 HydrophobicContact CD1-CB 4.37Å; L63-L130 HydrophobicContact CD1-CD2 4.19Å |
| 64 | V | 77.8 | Confident | 66 | Low | 18 Ų | 18 | 60.8 Ų | 60.8 | 11% | 0.109 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 175.8 | 175.8 | 0 | 0 | 0 | 0 | 111 | S60 F67 N68 L130 C139 | S60-V64 WeakPolarHBondContact O-CG2 3.5Å; S60-V64 PolarHBondContact O-N 2.81Å; V64-F67 PolarHBondContact O-N 3.09Å; V64-N68 WeakPolarHBondContact O-CB 3.5Å; V64-N68 PolarHBondContact O-N 2.88Å; V64-N68 PolarHBondContact O-ND2 3.44Å; V64-L130 HydrophobicContact CG2-CD1 3.49Å; V64-L130 VanDerWaalsContact CG2-CD1 3.49Å; V64-C139 HydrophobicContact CG2-CB 3.98Å |
| 65 | G | 79.4 | Confident | 68.3 | Low | 39 Ų | 39 | 59.6 Ų | 59.6 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T61 N68 Q69 | T61-G65 PolarHBondContact O-N 2.9Å; G65-N68 PolarHBondContact O-N 2.9Å; G65-Q69 WeakPolarHBondContact O-CB 3.43Å; G65-Q69 PolarHBondContact O-N 3.39Å |
| 66 | F | 83.1 | Confident | 70.3 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 21% | 0.211 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 175.9 | 174.2 | -103.4 | 0 | 0 | 0 | 112.3 | K62 L63 Q69 L70 L119 F122 | K62-F66 VanDerWaalsContact O-CB 3.27Å; K62-F66 WeakPolarHBondContact O-CB 3.4Å; K62-F66 PolarHBondContact O-N 2.76Å; L63-F66 HydrophobicContact CD2-CD1 4.25Å; L63-F66 PolarHBondContact O-N 2.91Å; F66-Q69 PolarHBondContact O-N 3.35Å; F66-L70 HydrophobicContact CE1-CD2 4.35Å; F66-L70 WeakPolarHBondContact O-CB 3.37Å; F66-L70 PolarHBondContact O-N 3.05Å; F66-L119 HydrophobicContact CE1-CD2 4.34Å; F66-L119 HydrophobicContact CE2-CD2 3.82Å; F66-L119 HydrophobicContact CZ-CD1 4.08Å; F66-L119 HydrophobicContact CZ-CD2 3.62Å; F66-F122 HydrophobicContact CB-CE1 4.4Å |
| 67 | F | 82.6 | Confident | 72.1 | Confident | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 179.1 | -70.4 | -36 | 0 | 0 | 0 | 113.2 | L63 V64 Q69 L70 L71 I89 L92 F102 L130 L141 | L63-F67 HydrophobicContact CD1-CE2 4.34Å; L63-F67 HydrophobicContact CD2-CD2 4.3Å; L63-F67 HydrophobicContact CD2-CE1 4.18Å; L63-F67 HydrophobicContact CD2-CE2 3.68Å; L63-F67 HydrophobicContact CD2-CZ 3.6Å; L63-F67 HydrophobicContact CG-CE2 4.43Å; L63-F67 WeakPolarHBondContact O-CD2 3.16Å; L63-F67 WeakPolarHBondContact O-CG 3.3Å; L63-F67 PolarHBondContact O-N 3.25Å; V64-F67 PolarHBondContact O-N 3.09Å; F67-Q69 VanDerWaalsContact C-N 3.34Å; F67-L70 HydrophobicContact CD1-CD2 4.48Å; F67-L70 PolarHBondContact O-N 3.07Å; F67-L71 WeakPolarHBondContact O-CB 3.41Å; F67-L71 PolarHBondContact O-N 3.37Å; F67-I89 HydrophobicContact CD1-CD1 4.24Å; F67-I89 HydrophobicContact CD1-CG1 4.24Å; F67-I89 HydrophobicContact CD1-CG2 4.26Å; F67-I89 HydrophobicContact CD2-CG2 4.19Å; F67-I89 HydrophobicContact CE1-CG1 4.44Å; F67-I89 HydrophobicContact CE1-CG2 4.37Å; F67-I89 HydrophobicContact CE2-CG2 4.27Å; F67-I89 HydrophobicContact CG-CG2 4.19Å; F67-I89 HydrophobicContact CZ-CG2 4.38Å; F67-L92 HydrophobicContact CE1-CD2 4.44Å; F67-L92 HydrophobicContact CE2-CD2 4.34Å; F67-L92 HydrophobicContact CZ-CD2 3.61Å; F67-F102 HydrophobicContact CE1-CE1 4.38Å; F67-F102 HydrophobicContact CE1-CZ 4.01Å; F67-L130 HydrophobicContact CD2-CD2 3.86Å; F67-L130 HydrophobicContact CE2-CD2 3.43Å; F67-L130 VanDerWaalsContact CE2-CD2 3.43Å; F67-L141 HydrophobicContact CB-CD2 3.36Å; F67-L141 HydrophobicContact CD2-CD2 3.92Å; F67-L141 HydrophobicContact CG-CD2 4.07Å |
| 68 | N | 80.7 | Confident | 73.8 | Confident | 60 Ų | 60 | 56.3 Ų | 56.3 | 32% | 0.321 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 172.1 | -78.8 | -31.9 | 0 | 0 | 0 | 111.4 | V64 G65 L70 L71 E72 P142 | V64-N68 WeakPolarHBondContact O-CB 3.5Å; V64-N68 PolarHBondContact O-N 2.88Å; V64-N68 PolarHBondContact O-ND2 3.44Å; G65-N68 PolarHBondContact O-N 2.9Å; N68-L70 VanDerWaalsContact C-N 3.32Å; N68-L70 PolarHBondContact O-N 3.33Å; N68-L71 PolarHBondContact O-N 3.3Å; N68-E72 VanDerWaalsContact O-CB 3.31Å; N68-E72 WeakPolarHBondContact O-CB 3.47Å; N68-E72 PolarHBondContact O-N 2.94Å; N68-P142 WeakPolarHBondContact OD1-CD 3.4Å |
| 69 | Q | 83.3 | Confident | 75.6 | Confident | 109 Ų | 109 | 60.2 Ų | 60.2 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 175.5 | -173.1 | 64.5 | 57.4 | 0 | 0 | 111.6 | G65 F66 F67 E72 L73 | G65-Q69 WeakPolarHBondContact O-CB 3.43Å; G65-Q69 PolarHBondContact O-N 3.39Å; F66-Q69 PolarHBondContact O-N 3.35Å; F67-Q69 VanDerWaalsContact C-N 3.34Å; Q69-E72 PolarHBondContact O-N 2.76Å; Q69-L73 HydrophobicContact CG-CD1 3.95Å; Q69-L73 HydrophobicContact CG-CG 4.44Å; Q69-L73 WeakPolarHBondContact O-CB 3.45Å; Q69-L73 WeakPolarHBondContact O-CG 3.47Å; Q69-L73 PolarHBondContact O-N 2.65Å |
| 70 | L | 81.6 | Confident | 76.8 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 11% | 0.11 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66 | -42.5 | 178.2 | -168.5 | 66.6 | 0 | 0 | 0 | 111.7 | F66 F67 N68 S74 V85 I89 F102 L106 L110 | F66-L70 HydrophobicContact CE1-CD2 4.35Å; F66-L70 WeakPolarHBondContact O-CB 3.37Å; F66-L70 PolarHBondContact O-N 3.05Å; F67-L70 HydrophobicContact CD1-CD2 4.48Å; F67-L70 PolarHBondContact O-N 3.07Å; N68-L70 VanDerWaalsContact C-N 3.32Å; N68-L70 PolarHBondContact O-N 3.33Å; L70-S74 VanDerWaalsContact O-CB 3.31Å; L70-S74 WeakPolarHBondContact O-CB 3.49Å; L70-S74 PolarHBondContact O-N 2.83Å; L70-S74 PolarHBondContact O-OG 2.86Å; L70-V85 HydrophobicContact CD2-CG1 4.06Å; L70-V85 HydrophobicContact CG-CG1 4Å; L70-I89 HydrophobicContact CD2-CD1 4.38Å; L70-F102 HydrophobicContact CD2-CZ 4.19Å; L70-L106 HydrophobicContact CD1-CD1 4.36Å; L70-L106 HydrophobicContact CD1-CD2 4.5Å; L70-L106 HydrophobicContact CD2-CD1 4.05Å; L70-L106 HydrophobicContact CD2-CD2 4.12Å; L70-L110 HydrophobicContact CD1-CD1 4.18Å |
| 71 | L | 80.9 | Confident | 77.7 | Confident | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 175.9 | -133.8 | 81.3 | 0 | 0 | 0 | 110.7 | F67 N68 S74 K75 V85 I89 P142 | F67-L71 WeakPolarHBondContact O-CB 3.41Å; F67-L71 PolarHBondContact O-N 3.37Å; N68-L71 PolarHBondContact O-N 3.3Å; L71-S74 PolarHBondContact O-N 3.39Å; L71-S74 PolarHBondContact O-OG 2.83Å; L71-K75 WeakPolarHBondContact O-CG 3.4Å; L71-K75 PolarHBondContact O-N 3.15Å; L71-V85 HydrophobicContact CD1-CG1 4.48Å; L71-I89 HydrophobicContact CD1-CD1 3.62Å; L71-P142 HydrophobicContact CD2-CB 4.41Å; L71-P142 HydrophobicContact CD2-CG 3.91Å; L71-P142 WeakPolarHBondContact CD2-O 3.42Å |
| 72 | E | 82.6 | Confident | 78.4 | Confident | 97 Ų | 97 | 61 Ų | 61 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 179 | -160.3 | 61.3 | -144.1 | 0 | 0 | 111.9 | N68 Q69 S74 K75 N76 | N68-E72 VanDerWaalsContact O-CB 3.31Å; N68-E72 WeakPolarHBondContact O-CB 3.47Å; N68-E72 PolarHBondContact O-N 2.94Å; Q69-E72 PolarHBondContact O-N 2.76Å; E72-S74 VanDerWaalsContact C-N 3.32Å; E72-S74 PolarHBondContact O-N 2.89Å; E72-K75 WeakPolarHBondContact O-CB 3.37Å; E72-K75 PolarHBondContact O-N 3.36Å; E72-K75 IonicContact OE1-NZ 2.69Å; E72-K75 IonicContact OE2-NZ 3.57Å; E72-K75 PolarHBondContact OE2-NZ 2.86Å; E72-N76 PolarHBondContact O-OD1 3.21Å |
| 73 | L | 80 | Confident | 78.8 | Confident | 99 Ų | 99 | 57.7 Ų | 57.7 | 52% | 0.518 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.5 | -35 | 176.8 | -69.5 | 170.5 | 0 | 0 | 0 | 112.2 | Q69 K75 N76 | Q69-L73 HydrophobicContact CG-CD1 3.95Å; Q69-L73 HydrophobicContact CG-CG 4.44Å; Q69-L73 WeakPolarHBondContact O-CB 3.45Å; Q69-L73 WeakPolarHBondContact O-CG 3.47Å; Q69-L73 PolarHBondContact O-N 2.65Å; L73-K75 VanDerWaalsContact C-N 3.3Å; L73-K75 PolarHBondContact O-N 3.18Å; L73-N76 PolarHBondContact O-N 3.45Å |
| 74 | S | 75.8 | Confident | 79.1 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.5 | -27.1 | -179.4 | 72.7 | 0 | 0 | 0 | 0 | 113.4 | L70 L71 E72 N76 V77 H82 | L70-S74 VanDerWaalsContact O-CB 3.31Å; L70-S74 WeakPolarHBondContact O-CB 3.49Å; L70-S74 PolarHBondContact O-N 2.83Å; L70-S74 PolarHBondContact O-OG 2.86Å; L71-S74 PolarHBondContact O-N 3.39Å; L71-S74 PolarHBondContact O-OG 2.83Å; E72-S74 VanDerWaalsContact C-N 3.32Å; E72-S74 PolarHBondContact O-N 2.89Å; S74-N76 PolarHBondContact O-N 3.46Å; S74-V77 PolarHBondContact O-N 3.3Å; S74-H82 PolarHBondContact OG-CD2 3.25Å; S74-H82 VanDerWaalsContact OG-CD2 3.24Å |
| 75 | K | 75.9 | Confident | 79.4 | Confident | 99 Ų | 99 | 58.4 Ų | 58.4 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.2 | -33 | 174.3 | -68.2 | 172 | -174.1 | 169.4 | 0 | 112.3 | L71 E72 L73 H82 | L71-K75 WeakPolarHBondContact O-CG 3.4Å; L71-K75 PolarHBondContact O-N 3.15Å; E72-K75 WeakPolarHBondContact O-CB 3.37Å; E72-K75 PolarHBondContact O-N 3.36Å; E72-K75 IonicContact OE1-NZ 2.69Å; E72-K75 IonicContact OE2-NZ 3.57Å; E72-K75 PolarHBondContact OE2-NZ 2.86Å; L73-K75 VanDerWaalsContact C-N 3.3Å; L73-K75 PolarHBondContact O-N 3.18Å; K75-H82 VanDerWaalsContact CG-CD2 3.45Å; K75-H82 WeakPolarHBondContact CG-CD2 3.34Å |
| 76 | N | 70.2 | Confident | 79.6 | Confident | 141 Ų | 141 | 57.3 Ų | 57.3 | 75% | 0.754 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -90.9 | -13.6 | -174.8 | -66.2 | 46.6 | 0 | 0 | 0 | 113.4 | E72 L73 S74 | E72-N76 PolarHBondContact O-OD1 3.21Å; L73-N76 PolarHBondContact O-N 3.45Å; S74-N76 PolarHBondContact O-N 3.46Å |
| 77 | V | 71.3 | Confident | 79.7 | Confident | 94 Ų | 94 | 59.3 Ų | 59.3 | 57% | 0.57 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -87.7 | -54.8 | -178.3 | 175.9 | 0 | 0 | 0 | 0 | 111 | S74 T81 | S74-V77 PolarHBondContact O-N 3.3Å; V77-T81 HydrophobicContact CG1-CG2 4.37Å |
| 78 | S | 73.3 | Confident | 79.7 | Confident | 38 Ų | 38 | 59.7 Ų | 59.7 | 27% | 0.266 | 34% | 0.338 | S | S | . | . | trans | -171.1 | 154.8 | 168.1 | 76.2 | 0 | 0 | 0 | 0 | 110.9 | S80 T81 H82 | S78-S80 VanDerWaalsContact C-N 3.29Å; S78-S80 PolarHBondContact O-N 3.12Å; S78-S80 PolarHBondContact OG-OG 3.1Å; S78-S80 VanDerWaalsContact OG-OG 3.11Å; S78-T81 PolarHBondContact O-N 2.92Å; S78-T81 WeakPolarHBondContact OG-CB 3.42Å; S78-T81 PolarHBondContact OG-N 3.46Å; S78-T81 PolarHBondContact OG-OG1 2.9Å; S78-H82 PolarHBondContact O-N 3.16Å | ||
| 79 | V | 78.4 | Confident | 79.8 | Confident | 127 Ų | 127 | 56.8 Ų | 56.8 | 77% | 0.77 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63 | -35 | 177.6 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | S83 | V79-S83 PolarHBondContact O-N 3.23Å |
| 80 | S | 76.5 | Confident | 79.6 | Confident | 90 Ų | 90 | 53.3 Ų | 53.3 | 63% | 0.629 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -71 | -39 | 176.1 | 56 | 0 | 0 | 0 | 0 | 112.1 | S78 S83 S84 | S78-S80 VanDerWaalsContact C-N 3.29Å; S78-S80 PolarHBondContact O-N 3.12Å; S78-S80 PolarHBondContact OG-OG 3.1Å; S78-S80 VanDerWaalsContact OG-OG 3.11Å; S80-S83 PolarHBondContact O-N 2.71Å; S80-S84 WeakPolarHBondContact O-CB 3.22Å; S80-S84 PolarHBondContact O-N 3.14Å |
| 81 | T | 81.7 | Confident | 79.5 | Confident | 18 Ų | 18 | 52.9 Ų | 52.9 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 172.7 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | V77 S78 S83 S84 V85 L110 | V77-T81 HydrophobicContact CG1-CG2 4.37Å; S78-T81 PolarHBondContact O-N 2.92Å; S78-T81 WeakPolarHBondContact OG-CB 3.42Å; S78-T81 PolarHBondContact OG-N 3.46Å; S78-T81 PolarHBondContact OG-OG1 2.9Å; T81-S83 PolarHBondContact O-N 3.32Å; T81-S84 PolarHBondContact O-N 3.39Å; T81-V85 HydrophobicContact CG2-CG2 4.21Å; T81-V85 WeakPolarHBondContact O-CB 3.37Å; T81-V85 VanDerWaalsContact O-CG2 3.25Å; T81-V85 WeakPolarHBondContact O-CG2 3.49Å; T81-V85 PolarHBondContact O-N 2.76Å; T81-L110 HydrophobicContact CG2-CD2 3.73Å |
| 82 | H | 81.9 | Confident | 79.6 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 15% | 0.153 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.6 | -46 | 175.9 | 175.8 | -89.9 | 0 | 0 | 0 | 111.9 | S74 K75 S78 V85 A86 | S74-H82 PolarHBondContact OG-CD2 3.25Å; S74-H82 VanDerWaalsContact OG-CD2 3.24Å; K75-H82 VanDerWaalsContact CG-CD2 3.45Å; K75-H82 WeakPolarHBondContact CG-CD2 3.34Å; S78-H82 PolarHBondContact O-N 3.16Å; H82-V85 PolarHBondContact O-N 3Å; H82-A86 WeakPolarHBondContact O-CB 3.43Å; H82-A86 PolarHBondContact O-N 3.04Å |
| 83 | S | 81.1 | Confident | 79.3 | Confident | 70 Ų | 70 | 48.2 Ų | 48.2 | 49% | 0.49 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 175.9 | -178 | 0 | 0 | 0 | 0 | 112 | V79 S80 T81 A86 T87 | V79-S83 PolarHBondContact O-N 3.23Å; S80-S83 PolarHBondContact O-N 2.71Å; T81-S83 PolarHBondContact O-N 3.32Å; S83-A86 PolarHBondContact O-N 3.25Å; S83-T87 PolarHBondContact O-N 3.04Å; S83-T87 PolarHBondContact O-OG1 3.45Å |
| 84 | S | 83 | Confident | 79 | Confident | 33 Ų | 33 | 45.8 Ų | 45.8 | 23% | 0.231 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.9 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | S80 T81 T87 L88 N109 | S80-S84 WeakPolarHBondContact O-CB 3.22Å; S80-S84 PolarHBondContact O-N 3.14Å; T81-S84 PolarHBondContact O-N 3.39Å; S84-T87 PolarHBondContact O-N 3.14Å; S84-L88 WeakPolarHBondContact O-CB 3.43Å; S84-L88 WeakPolarHBondContact O-CD1 3.35Å; S84-L88 WeakPolarHBondContact O-CG 3.39Å; S84-L88 PolarHBondContact O-N 3.2Å; S84-N109 PolarHBondContact OG-ND2 3.08Å; S84-N109 PolarHBondContact OG-OD1 3.27Å |
| 85 | V | 84.7 | Confident | 78.9 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | L70 L71 T81 H82 L88 I89 L106 | L70-V85 HydrophobicContact CD2-CG1 4.06Å; L70-V85 HydrophobicContact CG-CG1 4Å; L71-V85 HydrophobicContact CD1-CG1 4.48Å; T81-V85 HydrophobicContact CG2-CG2 4.21Å; T81-V85 WeakPolarHBondContact O-CB 3.37Å; T81-V85 VanDerWaalsContact O-CG2 3.25Å; T81-V85 WeakPolarHBondContact O-CG2 3.49Å; T81-V85 PolarHBondContact O-N 2.76Å; H82-V85 PolarHBondContact O-N 3Å; V85-L88 PolarHBondContact O-N 3.35Å; V85-I89 HydrophobicContact CG1-CD1 3.81Å; V85-I89 HydrophobicContact CG1-CG1 4.42Å; V85-I89 VanDerWaalsContact O-CG1 3.25Å; V85-I89 WeakPolarHBondContact O-CG1 3.47Å; V85-I89 PolarHBondContact O-N 3.14Å; V85-L106 HydrophobicContact CG2-CD1 4.2Å |
| 86 | A | 82.9 | Confident | 78.8 | Confident | 15 Ų | 15 | 50.8 Ų | 50.8 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H82 S83 L88 I89 Q90 | H82-A86 WeakPolarHBondContact O-CB 3.43Å; H82-A86 PolarHBondContact O-N 3.04Å; S83-A86 PolarHBondContact O-N 3.25Å; A86-L88 PolarHBondContact O-N 3.33Å; A86-I89 PolarHBondContact O-N 3.11Å; A86-Q90 WeakPolarHBondContact O-CB 3.41Å; A86-Q90 PolarHBondContact O-N 3.17Å |
| 87 | T | 84.6 | Confident | 79.1 | Confident | 90 Ų | 90 | 45.5 Ų | 45.5 | 55% | 0.552 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.5 | -40.6 | 175.7 | -56.9 | 0 | 0 | 0 | 0 | 112 | S83 S84 Q90 A91 | S83-T87 PolarHBondContact O-N 3.04Å; S83-T87 PolarHBondContact O-OG1 3.45Å; S84-T87 PolarHBondContact O-N 3.14Å; T87-Q90 PolarHBondContact O-N 3.12Å; T87-A91 WeakPolarHBondContact O-CB 3.42Å; T87-A91 PolarHBondContact O-N 2.95Å |
| 88 | L | 84.2 | Confident | 79.6 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 176.6 | -81 | 161.4 | 0 | 0 | 0 | 112.6 | S84 V85 A86 A91 L92 L97 F102 Q105 | S84-L88 WeakPolarHBondContact O-CB 3.43Å; S84-L88 WeakPolarHBondContact O-CD1 3.35Å; S84-L88 WeakPolarHBondContact O-CG 3.39Å; S84-L88 PolarHBondContact O-N 3.2Å; V85-L88 PolarHBondContact O-N 3.35Å; A86-L88 PolarHBondContact O-N 3.33Å; L88-A91 PolarHBondContact O-N 3.35Å; L88-L92 WeakPolarHBondContact O-CB 3.27Å; L88-L92 PolarHBondContact O-N 3.1Å; L88-L97 HydrophobicContact CD2-CD1 4.39Å; L88-L97 HydrophobicContact CD2-CD2 4.21Å; L88-F102 HydrophobicContact CB-CD2 4.06Å; L88-F102 HydrophobicContact CB-CE2 3.99Å; L88-Q105 HydrophobicContact CD1-CG 4.29Å; L88-Q105 HydrophobicContact CD2-CB 3.79Å; L88-Q105 HydrophobicContact CD2-CG 3.78Å |
| 89 | I | 82 | Confident | 79.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.8 | -37.7 | 177.6 | -55.4 | 161.1 | 0 | 0 | 0 | 110 | F67 L70 L71 V85 A86 L92 V93 F102 I144 | F67-I89 HydrophobicContact CD1-CD1 4.24Å; F67-I89 HydrophobicContact CD1-CG1 4.24Å; F67-I89 HydrophobicContact CD1-CG2 4.26Å; F67-I89 HydrophobicContact CD2-CG2 4.19Å; F67-I89 HydrophobicContact CE1-CG1 4.44Å; F67-I89 HydrophobicContact CE1-CG2 4.37Å; F67-I89 HydrophobicContact CE2-CG2 4.27Å; F67-I89 HydrophobicContact CG-CG2 4.19Å; F67-I89 HydrophobicContact CZ-CG2 4.38Å; L70-I89 HydrophobicContact CD2-CD1 4.38Å; L71-I89 HydrophobicContact CD1-CD1 3.62Å; V85-I89 HydrophobicContact CG1-CD1 3.81Å; V85-I89 HydrophobicContact CG1-CG1 4.42Å; V85-I89 VanDerWaalsContact O-CG1 3.25Å; V85-I89 WeakPolarHBondContact O-CG1 3.47Å; V85-I89 PolarHBondContact O-N 3.14Å; A86-I89 PolarHBondContact O-N 3.11Å; I89-L92 PolarHBondContact O-N 3.47Å; I89-V93 HydrophobicContact CG2-CG2 4.39Å; I89-V93 WeakPolarHBondContact O-CB 3.44Å; I89-V93 VanDerWaalsContact O-CG2 3.28Å; I89-V93 WeakPolarHBondContact O-CG2 3.4Å; I89-V93 PolarHBondContact O-N 3.48Å; I89-F102 HydrophobicContact CG1-CE2 4.04Å; I89-F102 HydrophobicContact CG1-CZ 4.35Å; I89-I144 HydrophobicContact CB-CD1 3.7Å; I89-I144 HydrophobicContact CD1-CD1 4.49Å; I89-I144 HydrophobicContact CG2-CD1 3.21Å |
| 90 | Q | 78.6 | Confident | 79.7 | Confident | 36 Ų | 36 | 42.4 Ų | 42.4 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 173.8 | -171.4 | 68.8 | 57.3 | 0 | 0 | 111.9 | A86 T87 L92 V93 N94 Q145 | A86-Q90 WeakPolarHBondContact O-CB 3.41Å; A86-Q90 PolarHBondContact O-N 3.17Å; T87-Q90 PolarHBondContact O-N 3.12Å; Q90-L92 VanDerWaalsContact C-N 3.34Å; Q90-L92 PolarHBondContact O-N 3.2Å; Q90-V93 PolarHBondContact O-N 3.41Å; Q90-N94 PolarHBondContact NE2-OD1 3.31Å; Q90-N94 VanDerWaalsContact O-CB 3.3Å; Q90-N94 WeakPolarHBondContact O-CB 3.43Å; Q90-N94 PolarHBondContact O-N 3.5Å; Q90-N94 PolarHBondContact O-ND2 2.89Å; Q90-N94 PolarHBondContact O-OD1 3Å; Q90-Q145 PolarHBondContact NE2-O 3.48Å |
| 91 | A | 80.9 | Confident | 79.9 | Confident | 12 Ų | 12 | 40.8 Ų | 40.8 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.8 | -36.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T87 L88 G95 E96 L97 | T87-A91 WeakPolarHBondContact O-CB 3.42Å; T87-A91 PolarHBondContact O-N 2.95Å; L88-A91 PolarHBondContact O-N 3.35Å; A91-G95 PolarHBondContact O-N 3.21Å; A91-E96 HydrophobicContact CB-CB 4.46Å; A91-E96 PolarHBondContact O-N 3.2Å; A91-L97 HydrophobicContact CB-CB 3.95Å; A91-L97 HydrophobicContact CB-CD1 3.97Å; A91-L97 PolarHBondContact O-N 3.42Å |
| 92 | L | 81.6 | Confident | 79.9 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.7 | -44.2 | 174.2 | -170.4 | 93.2 | 0 | 0 | 0 | 111.7 | F67 L88 I89 Q90 G95 F102 I123 I127 R131 | F67-L92 HydrophobicContact CE1-CD2 4.44Å; F67-L92 HydrophobicContact CE2-CD2 4.34Å; F67-L92 HydrophobicContact CZ-CD2 3.61Å; L88-L92 WeakPolarHBondContact O-CB 3.27Å; L88-L92 PolarHBondContact O-N 3.1Å; I89-L92 PolarHBondContact O-N 3.47Å; Q90-L92 VanDerWaalsContact C-N 3.34Å; Q90-L92 PolarHBondContact O-N 3.2Å; L92-G95 PolarHBondContact O-N 2.95Å; L92-F102 HydrophobicContact CB-CD2 4.37Å; L92-F102 HydrophobicContact CD1-CB 3.6Å; L92-F102 HydrophobicContact CD1-CD1 4.49Å; L92-F102 HydrophobicContact CD1-CD2 4.21Å; L92-F102 HydrophobicContact CD1-CG 3.86Å; L92-I123 HydrophobicContact CD1-CG2 4.17Å; L92-I123 HydrophobicContact CD2-CG2 3.9Å; L92-I127 HydrophobicContact CD2-CD1 3.58Å; L92-I127 HydrophobicContact CG-CD1 3.8Å; L92-I127 HydrophobicContact CG-CG1 4.48Å; L92-R131 PolarHBondContact O-NH2 2.94Å |
| 93 | V | 77.3 | Confident | 79.8 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.8 | -41.8 | 177.6 | 168.9 | 0 | 0 | 0 | 0 | 111 | I89 Q90 G95 R131 L134 I144 P147 | I89-V93 HydrophobicContact CG2-CG2 4.39Å; I89-V93 WeakPolarHBondContact O-CB 3.44Å; I89-V93 VanDerWaalsContact O-CG2 3.28Å; I89-V93 WeakPolarHBondContact O-CG2 3.4Å; I89-V93 PolarHBondContact O-N 3.48Å; Q90-V93 PolarHBondContact O-N 3.41Å; V93-G95 PolarHBondContact O-N 2.97Å; V93-R131 PolarHBondContact O-NE 3.22Å; V93-R131 VanDerWaalsContact O-NE 3.14Å; V93-L134 HydrophobicContact CG1-CD1 3.72Å; V93-L134 HydrophobicContact CG2-CD1 3.88Å; V93-I144 HydrophobicContact CG2-CG2 4.36Å; V93-P147 HydrophobicContact CG1-CG 4.11Å |
| 94 | N | 72.9 | Confident | 79.7 | Confident | 49 Ų | 49 | 38 Ų | 38 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71.7 | -11.6 | 179.4 | -69.3 | -5.8 | 0 | 0 | 0 | 114 | Q90 E96 | Q90-N94 PolarHBondContact NE2-OD1 3.31Å; Q90-N94 VanDerWaalsContact O-CB 3.3Å; Q90-N94 WeakPolarHBondContact O-CB 3.43Å; Q90-N94 PolarHBondContact O-N 3.5Å; Q90-N94 PolarHBondContact O-ND2 2.89Å; Q90-N94 PolarHBondContact O-OD1 3Å; N94-E96 VanDerWaalsContact C-N 3.35Å; N94-E96 HydrophobicContact CB-CG 4.42Å |
| 95 | G | 75 | Confident | 79.4 | Confident | 45 Ų | 45 | 40.7 Ų | 40.7 | 46% | 0.464 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 7.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A91 L92 V93 L97 R131 | A91-G95 PolarHBondContact O-N 3.21Å; L92-G95 PolarHBondContact O-N 2.95Å; V93-G95 PolarHBondContact O-N 2.97Å; G95-L97 VanDerWaalsContact C-N 3.3Å; G95-R131 VanDerWaalsContact CA-NH2 3.31Å |
| 96 | E | 72.9 | Confident | 79.1 | Confident | 161 Ų | 161 | 41.1 Ų | 41.1 | 75% | 0.752 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -78.6 | -17.6 | 176.1 | -65.6 | -172.2 | 154.9 | 0 | 0 | 112.6 | A91 N94 | A91-E96 HydrophobicContact CB-CB 4.46Å; A91-E96 PolarHBondContact O-N 3.2Å; N94-E96 VanDerWaalsContact C-N 3.35Å; N94-E96 HydrophobicContact CB-CG 4.42Å |
| 97 | L | 77.4 | Confident | 78.8 | Confident | 31 Ų | 31 | 44.8 Ų | 44.8 | 16% | 0.162 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -130.2 | 127.2 | -172 | -140.1 | 121.7 | 0 | 0 | 0 | 112.1 | L88 A91 G95 F102 | L88-L97 HydrophobicContact CD2-CD1 4.39Å; L88-L97 HydrophobicContact CD2-CD2 4.21Å; A91-L97 HydrophobicContact CB-CB 3.95Å; A91-L97 HydrophobicContact CB-CD1 3.97Å; A91-L97 PolarHBondContact O-N 3.42Å; G95-L97 VanDerWaalsContact C-N 3.3Å; L97-F102 HydrophobicContact CD2-CB 3.55Å |
| 98 | D | 80.3 | Confident | 78.2 | Confident | 113 Ų | 113 | 44.5 Ų | 44.5 | 60% | 0.604 | 26% | 0.26 | S | S | * | . | trans | -77.5 | 152.1 | 177.7 | -167.9 | 17 | 0 | 0 | 0 | 111.7 | S100 S101 F102 | D98-S100 PolarHBondContact O-N 2.85Å; D98-S101 PolarHBondContact O-N 3.31Å; D98-F102 PolarHBondContact O-N 2.88Å | ||
| 99 | A | 78.4 | Confident | 77.4 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.5 | -33.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.7 | S103 I123 K124 | A99-S103 PolarHBondContact O-N 2.7Å; A99-I123 HydrophobicContact CB-CB 4.1Å; A99-I123 HydrophobicContact CB-CG2 3.84Å; A99-K124 HydrophobicContact CB-CB 4.41Å |
| 100 | S | 76.5 | Confident | 76.8 | Confident | 73 Ų | 73 | 48 Ų | 48 | 51% | 0.51 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.7 | -48.1 | 174.8 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | D98 F102 S103 A104 | D98-S100 PolarHBondContact O-N 2.85Å; S100-F102 PolarHBondContact O-N 3.47Å; S100-S103 PolarHBondContact O-N 2.94Å; S100-S103 PolarHBondContact O-OG 3.44Å; S100-A104 PolarHBondContact O-N 3.19Å |
| 101 | S | 80.1 | Confident | 76 | Confident | 55 Ų | 55 | 56 Ų | 56 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 178 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | D98 S103 A104 Q105 | D98-S101 PolarHBondContact O-N 3.31Å; S101-S103 VanDerWaalsContact C-N 3.34Å; S101-S103 PolarHBondContact O-N 3.36Å; S101-A104 PolarHBondContact O-N 3.05Å; S101-Q105 WeakPolarHBondContact O-CB 3.21Å; S101-Q105 PolarHBondContact O-N 2.82Å |
| 102 | F | 82.4 | Confident | 74.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 174.7 | 171.9 | -95.9 | 0 | 0 | 0 | 111 | F67 L70 L88 I89 L92 L97 D98 S100 A104 Q105 L106 I123 | F67-F102 HydrophobicContact CE1-CE1 4.38Å; F67-F102 HydrophobicContact CE1-CZ 4.01Å; L70-F102 HydrophobicContact CD2-CZ 4.19Å; L88-F102 HydrophobicContact CB-CD2 4.06Å; L88-F102 HydrophobicContact CB-CE2 3.99Å; I89-F102 HydrophobicContact CG1-CE2 4.04Å; I89-F102 HydrophobicContact CG1-CZ 4.35Å; L92-F102 HydrophobicContact CB-CD2 4.37Å; L92-F102 HydrophobicContact CD1-CB 3.6Å; L92-F102 HydrophobicContact CD1-CD1 4.49Å; L92-F102 HydrophobicContact CD1-CD2 4.21Å; L92-F102 HydrophobicContact CD1-CG 3.86Å; L97-F102 HydrophobicContact CD2-CB 3.55Å; D98-F102 PolarHBondContact O-N 2.88Å; S100-F102 PolarHBondContact O-N 3.47Å; F102-A104 VanDerWaalsContact C-N 3.3Å; F102-A104 PolarHBondContact O-N 2.98Å; F102-Q105 PolarHBondContact O-N 2.93Å; F102-L106 HydrophobicContact CE1-CD2 3.84Å; F102-L106 HydrophobicContact CZ-CD2 4.04Å; F102-L106 WeakPolarHBondContact O-CB 3.35Å; F102-L106 PolarHBondContact O-N 3.15Å; F102-I123 HydrophobicContact CD1-CD1 3.56Å; F102-I123 HydrophobicContact CE1-CD1 3.66Å |
| 103 | S | 78.9 | Confident | 73.2 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.2 | -35.5 | -180 | 80.8 | 0 | 0 | 0 | 0 | 112.4 | A99 S100 S101 R107 | A99-S103 PolarHBondContact O-N 2.7Å; S100-S103 PolarHBondContact O-N 2.94Å; S100-S103 PolarHBondContact O-OG 3.44Å; S101-S103 VanDerWaalsContact C-N 3.34Å; S101-S103 PolarHBondContact O-N 3.36Å; S103-R107 VanDerWaalsContact CB-NH1 3.33Å; S103-R107 WeakPolarHBondContact O-CG 3.5Å; S103-R107 PolarHBondContact O-N 3.29Å; S103-R107 PolarHBondContact O-NH1 3.44Å; S103-R107 PolarHBondContact OG-NH1 3.37Å |
| 104 | A | 79.2 | Confident | 72.1 | Confident | 57 Ų | 57 | 69.7 Ų | 69.7 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.3 | -44.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S100 S101 F102 R107 S108 | S100-A104 PolarHBondContact O-N 3.19Å; S101-A104 PolarHBondContact O-N 3.05Å; F102-A104 VanDerWaalsContact C-N 3.3Å; F102-A104 PolarHBondContact O-N 2.98Å; A104-R107 WeakPolarHBondContact O-CB 3.46Å; A104-R107 PolarHBondContact O-N 3.37Å; A104-S108 PolarHBondContact O-N 3.38Å |
| 105 | Q | 76.6 | Confident | 71.2 | Confident | 90 Ų | 90 | 73.1 Ų | 73.1 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -73.8 | -30.7 | -179.3 | -157.6 | 149.2 | 5.4 | 0 | 0 | 112.2 | L88 S101 F102 S108 N109 | L88-Q105 HydrophobicContact CD1-CG 4.29Å; L88-Q105 HydrophobicContact CD2-CB 3.79Å; L88-Q105 HydrophobicContact CD2-CG 3.78Å; S101-Q105 WeakPolarHBondContact O-CB 3.21Å; S101-Q105 PolarHBondContact O-N 2.82Å; F102-Q105 PolarHBondContact O-N 2.93Å; Q105-S108 PolarHBondContact O-N 3.43Å; Q105-N109 WeakPolarHBondContact O-CB 3.41Å; Q105-N109 PolarHBondContact O-N 3.01Å; Q105-N109 PolarHBondContact O-ND2 3.43Å |
| 106 | L | 79.7 | Confident | 70.3 | Confident | 10 Ų | 10 | 74.6 Ų | 74.6 | 5% | 0.052 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 169.6 | -173.7 | 65.2 | 0 | 0 | 0 | 111.1 | L70 V85 F102 S108 N109 L110 | L70-L106 HydrophobicContact CD1-CD1 4.36Å; L70-L106 HydrophobicContact CD1-CD2 4.5Å; L70-L106 HydrophobicContact CD2-CD1 4.05Å; L70-L106 HydrophobicContact CD2-CD2 4.12Å; V85-L106 HydrophobicContact CG2-CD1 4.2Å; F102-L106 HydrophobicContact CE1-CD2 3.84Å; F102-L106 HydrophobicContact CZ-CD2 4.04Å; F102-L106 WeakPolarHBondContact O-CB 3.35Å; F102-L106 PolarHBondContact O-N 3.15Å; L106-S108 VanDerWaalsContact C-N 3.3Å; L106-S108 PolarHBondContact O-N 3.1Å; L106-N109 PolarHBondContact O-N 3.03Å; L106-L110 HydrophobicContact CD1-CD1 3.51Å; L106-L110 HydrophobicContact CD1-CG 4.26Å; L106-L110 HydrophobicContact CG-CD1 3.9Å; L106-L110 WeakPolarHBondContact O-CB 3.41Å; L106-L110 PolarHBondContact O-N 3.31Å |
| 107 | R | 74.8 | Confident | 69.6 | Low | 91 Ų | 91 | 72.8 Ų | 72.8 | 34% | 0.343 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.3 | -33.3 | 173.6 | -72.4 | 175.2 | -165.9 | 106 | -4.6 | 112.7 | S103 A104 L110 A113 | S103-R107 VanDerWaalsContact CB-NH1 3.33Å; S103-R107 WeakPolarHBondContact O-CG 3.5Å; S103-R107 PolarHBondContact O-N 3.29Å; S103-R107 PolarHBondContact O-NH1 3.44Å; S103-R107 PolarHBondContact OG-NH1 3.37Å; A104-R107 WeakPolarHBondContact O-CB 3.46Å; A104-R107 PolarHBondContact O-N 3.37Å; R107-L110 CarbonylContact O-C 3.55Å; R107-A113 HydrophobicContact CG-CB 4.41Å |
| 108 | S | 71.9 | Confident | 68.9 | Low | 84 Ų | 84 | 76.4 Ų | 76.4 | 59% | 0.587 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -73.2 | -36.6 | 176.6 | -174.1 | 0 | 0 | 0 | 0 | 113.3 | A104 Q105 L106 | A104-S108 PolarHBondContact O-N 3.38Å; Q105-S108 PolarHBondContact O-N 3.43Å; L106-S108 VanDerWaalsContact C-N 3.3Å; L106-S108 PolarHBondContact O-N 3.1Å |
| 109 | N | 68.5 | Low | 68.4 | Low | 50 Ų | 50 | 72.3 Ų | 72.3 | 27% | 0.267 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -81.8 | -32.5 | -179.4 | -79.1 | -80.9 | 0 | 0 | 0 | 112.3 | S84 Q105 L106 | S84-N109 PolarHBondContact OG-ND2 3.08Å; S84-N109 PolarHBondContact OG-OD1 3.27Å; Q105-N109 WeakPolarHBondContact O-CB 3.41Å; Q105-N109 PolarHBondContact O-N 3.01Å; Q105-N109 PolarHBondContact O-ND2 3.43Å; L106-N109 PolarHBondContact O-N 3.03Å |
| 110 | L | 69.7 | Low | 68.1 | Low | 32 Ų | 32 | 72.8 Ų | 72.8 | 17% | 0.168 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -100.2 | 82.3 | 171.7 | -63.5 | 169.4 | 0 | 0 | 0 | 108 | L70 T81 L106 R107 S112 A113 | L70-L110 HydrophobicContact CD1-CD1 4.18Å; T81-L110 HydrophobicContact CG2-CD2 3.73Å; L106-L110 HydrophobicContact CD1-CD1 3.51Å; L106-L110 HydrophobicContact CD1-CG 4.26Å; L106-L110 HydrophobicContact CG-CD1 3.9Å; L106-L110 WeakPolarHBondContact O-CB 3.41Å; L106-L110 PolarHBondContact O-N 3.31Å; R107-L110 CarbonylContact O-C 3.55Å; L110-S112 PolarHBondContact O-N 3.43Å; L110-A113 PolarHBondContact O-N 3.18Å |
| 111 | K | 62 | Low | 68.1 | Low | 204 Ų | 204 | 72.1 Ų | 72.1 | 89% | 0.887 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 17.3 | -179.6 | -71 | 171.4 | 172.9 | 173.1 | 0 | 115.6 | ||
| 112 | S | 52.1 | Low | 68 | Low | 105 Ų | 105 | 72.7 Ų | 72.7 | 73% | 0.734 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141 | 6.4 | -174.9 | 60.7 | 0 | 0 | 0 | 0 | 115.3 | L110 N114 | L110-S112 PolarHBondContact O-N 3.43Å; S112-N114 PolarHBondContact O-N 3.23Å |
| 113 | A | 51.3 | Low | 67.9 | Low | 55 Ų | 55 | 72.7 Ų | 72.7 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | trans | -76 | 108.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R107 L110 | R107-A113 HydrophobicContact CG-CB 4.41Å; L110-A113 PolarHBondContact O-N 3.18Å | ||
| 114 | N | 52.9 | Low | 67.8 | Low | 144 Ų | 144 | 79.3 Ų | 79.3 | 77% | 0.77 | 45% | 0.453 | S | S | * | . | trans | -43.6 | 131.9 | 175.2 | -85.2 | -63.3 | 0 | 0 | 0 | 112.7 | S112 G116 | S112-N114 PolarHBondContact O-N 3.23Å; N114-G116 PolarHBondContact O-N 3.04Å | ||
| 115 | P | 55 | Low | 67.5 | Low | 122 Ų | 122 | 82.2 Ų | 82.2 | 79% | 0.792 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 6.6 | -171.4 | 27.3 | -34.8 | 0 | 0 | 0 | 115.5 | ||
| 116 | G | 55.3 | Low | 67.3 | Low | 76 Ų | 76 | 78.4 Ų | 78.4 | 78% | 0.784 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -8.3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 117 | N114 | N114-G116 PolarHBondContact O-N 3.04Š|
| 117 | M | 57.9 | Low | 67.3 | Low | 123 Ų | 123 | 78.6 Ų | 78.6 | 61% | 0.606 | 44% | 0.444 | S | S | * | . | trans | -116.2 | 105 | -174.1 | -150.6 | 170.3 | 71.9 | 0 | 0 | 111.2 | L119 | M117-L119 HydrophobicContact CE-CD1 4.48Å; M117-L119 HydrophobicContact CE-CD2 3.66Å; M117-L119 HydrophobicContact CE-CG 4.05Å; M117-L119 PolarHBondContact O-N 3.12Å | ||
| 118 | D | 63.1 | Low | 67.3 | Low | 106 Ų | 106 | 79.3 Ų | 79.3 | 57% | 0.567 | 46% | 0.455 | S | S | * | . | trans | -74.3 | 95.3 | 173.5 | -168.8 | 12.7 | 0 | 0 | 0 | 109.7 | A120 P121 | D118-A120 VanDerWaalsContact C-N 3.31Å; D118-A120 WeakPolarHBondContact OD1-CB 3.35Å; D118-A120 PolarHBondContact OD1-N 3.24Å; D118-P121 WeakPolarHBondContact O-CD 3.48Å; D118-P121 WeakPolarHBondContact OD1-CD 3.5Å; D118-P121 WeakPolarHBondContact OD2-CD 3.42Å; D118-P121 WeakPolarHBondContact OD2-CG 3.41Å | ||
| 119 | L | 70.4 | Confident | 67.4 | Low | 27 Ų | 27 | 77.5 Ų | 77.5 | 14% | 0.141 | 44% | 0.438 | C | S | . | . | trans | -76.9 | -17.8 | 177.4 | -75.6 | 160.7 | 0 | 0 | 0 | 112.3 | F66 M117 F122 I123 | F66-L119 HydrophobicContact CE1-CD2 4.34Å; F66-L119 HydrophobicContact CE2-CD2 3.82Å; F66-L119 HydrophobicContact CZ-CD1 4.08Å; F66-L119 HydrophobicContact CZ-CD2 3.62Å; M117-L119 HydrophobicContact CE-CD1 4.48Å; M117-L119 HydrophobicContact CE-CD2 3.66Å; M117-L119 HydrophobicContact CE-CG 4.05Å; M117-L119 PolarHBondContact O-N 3.12Å; L119-F122 PolarHBondContact O-N 3.3Å; L119-I123 HydrophobicContact CB-CD1 4.02Å; L119-I123 WeakPolarHBondContact O-CD1 3.21Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 3.45Å | ||
| 120 | A | 72.3 | Confident | 67.6 | Low | 18 Ų | 18 | 75.1 Ų | 75.1 | 15% | 0.149 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D118 I123 K124 | D118-A120 VanDerWaalsContact C-N 3.31Å; D118-A120 WeakPolarHBondContact OD1-CB 3.35Å; D118-A120 PolarHBondContact OD1-N 3.24Å; A120-I123 PolarHBondContact O-N 3.46Å; A120-K124 VanDerWaalsContact O-CB 3.23Å; A120-K124 WeakPolarHBondContact O-CB 3.45Å; A120-K124 PolarHBondContact O-N 3.03Å |
| 121 | P | 76.5 | Confident | 67.8 | Low | 60 Ų | 60 | 76.4 Ų | 76.4 | 39% | 0.39 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 175.3 | -20 | 31.7 | 0 | 0 | 0 | 112.3 | D118 I123 K124 D125 | D118-P121 WeakPolarHBondContact O-CD 3.48Å; D118-P121 WeakPolarHBondContact OD1-CD 3.5Å; D118-P121 WeakPolarHBondContact OD2-CD 3.42Å; D118-P121 WeakPolarHBondContact OD2-CG 3.41Å; P121-I123 VanDerWaalsContact C-N 3.33Å; P121-I123 PolarHBondContact O-N 2.94Å; P121-K124 PolarHBondContact O-N 3.5Å; P121-D125 PolarHBondContact O-N 3.3Å |
| 122 | F | 77.5 | Confident | 68.4 | Low | 66 Ų | 66 | 71.7 Ų | 71.7 | 29% | 0.289 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | -179.5 | 176.5 | -110.4 | 0 | 0 | 0 | 112.4 | K62 L63 F66 L119 N126 | K62-F122 HydrophobicContact CB-CE2 4.1Å; K62-F122 HydrophobicContact CB-CZ 3.73Å; L63-F122 HydrophobicContact CD2-CD1 4.39Å; L63-F122 HydrophobicContact CD2-CE1 3.94Å; L63-F122 HydrophobicContact CG-CE1 4.19Å; L63-F122 HydrophobicContact CG-CZ 4.46Å; F66-F122 HydrophobicContact CB-CE1 4.4Å; L119-F122 PolarHBondContact O-N 3.3Å; F122-N126 PolarHBondContact O-ND2 2.88Å |
| 123 | I | 79.2 | Confident | 69.2 | Low | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -73.8 | -44.5 | 176.9 | -64.4 | 165 | 0 | 0 | 0 | 110.2 | L63 L92 A99 F102 L119 A120 P121 D125 N126 I127 | L63-I123 HydrophobicContact CD2-CG1 4.26Å; L92-I123 HydrophobicContact CD1-CG2 4.17Å; L92-I123 HydrophobicContact CD2-CG2 3.9Å; A99-I123 HydrophobicContact CB-CB 4.1Å; A99-I123 HydrophobicContact CB-CG2 3.84Å; F102-I123 HydrophobicContact CD1-CD1 3.56Å; F102-I123 HydrophobicContact CE1-CD1 3.66Å; L119-I123 HydrophobicContact CB-CD1 4.02Å; L119-I123 WeakPolarHBondContact O-CD1 3.21Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 3.45Å; A120-I123 PolarHBondContact O-N 3.46Å; P121-I123 VanDerWaalsContact C-N 3.33Å; P121-I123 PolarHBondContact O-N 2.94Å; I123-D125 VanDerWaalsContact C-N 3.32Å; I123-D125 PolarHBondContact O-N 3.18Å; I123-N126 PolarHBondContact O-N 3.23Å; I123-N126 VanDerWaalsContact O-N 3.13Å; I123-I127 WeakPolarHBondContact O-CB 3.36Å; I123-I127 PolarHBondContact O-N 3.43Å |
| 124 | K | 78 | Confident | 70.1 | Confident | 145 Ų | 145 | 64.9 Ų | 64.9 | 63% | 0.63 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.2 | -39.9 | -178.8 | -172.7 | 171.8 | -178 | 172.1 | 0 | 112.9 | A99 A120 P121 N126 | A99-K124 HydrophobicContact CB-CB 4.41Å; A120-K124 VanDerWaalsContact O-CB 3.23Å; A120-K124 WeakPolarHBondContact O-CB 3.45Å; A120-K124 PolarHBondContact O-N 3.03Å; P121-K124 PolarHBondContact O-N 3.5Å; K124-N126 VanDerWaalsContact C-N 3.26Å; K124-N126 PolarHBondContact O-N 3.31Å |
| 125 | D | 71.9 | Confident | 70.5 | Confident | 119 Ų | 119 | 60.5 Ų | 60.5 | 64% | 0.636 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -16.2 | -179.3 | -70 | -11.2 | 0 | 0 | 0 | 113.6 | P121 I123 | P121-D125 PolarHBondContact O-N 3.3Å; I123-D125 VanDerWaalsContact C-N 3.32Å; I123-D125 PolarHBondContact O-N 3.18Å |
| 126 | N | 73.8 | Confident | 70.7 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -10.5 | -169.6 | -66.5 | -70.1 | 0 | 0 | 0 | 114.3 | S59 L63 F122 I123 K124 L129 L130 | S59-N126 WeakPolarHBondContact CB-OD1 3.48Å; S59-N126 PolarHBondContact O-OD1 3.42Å; S59-N126 PolarHBondContact OG-OD1 3.46Å; L63-N126 HydrophobicContact CB-CB 4.31Å; L63-N126 HydrophobicContact CD1-CB 3.25Å; L63-N126 HydrophobicContact CG-CB 3.66Å; F122-N126 PolarHBondContact O-ND2 2.88Å; I123-N126 PolarHBondContact O-N 3.23Å; I123-N126 VanDerWaalsContact O-N 3.13Å; K124-N126 VanDerWaalsContact C-N 3.26Å; K124-N126 PolarHBondContact O-N 3.31Å; N126-L129 PolarHBondContact O-N 2.96Å; N126-L130 WeakPolarHBondContact O-CB 3.49Å; N126-L130 PolarHBondContact O-N 2.83Å |
| 127 | I | 78 | Confident | 71 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 8% | 0.077 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.9 | -38.4 | -176.4 | -167.4 | 60 | 0 | 0 | 0 | 112.5 | L92 I123 L130 R131 | L92-I127 HydrophobicContact CD2-CD1 3.58Å; L92-I127 HydrophobicContact CG-CD1 3.8Å; L92-I127 HydrophobicContact CG-CG1 4.48Å; I123-I127 WeakPolarHBondContact O-CB 3.36Å; I123-I127 PolarHBondContact O-N 3.43Å; I127-L130 HydrophobicContact CD1-CD2 4.39Å; I127-L130 PolarHBondContact O-N 3.08Å; I127-R131 WeakPolarHBondContact O-CG 3.43Å; I127-R131 PolarHBondContact O-N 3.13Å |
| 128 | D | 74.8 | Confident | 70.9 | Confident | 106 Ų | 106 | 57 Ų | 57 | 57% | 0.567 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -69.3 | -37.3 | 179 | -64 | -35.9 | 0 | 0 | 0 | 111.7 | R131 R132 | D128-R131 IonicContact OD1-NH1 3.04Å; D128-R132 WeakPolarHBondContact O-CB 3.2Å; D128-R132 PolarHBondContact O-N 3.28Å; D128-R132 VanDerWaalsContact O-N 3.09Å |
| 129 | L | 75.2 | Confident | 70.4 | Confident | 45 Ų | 45 | 52.8 Ų | 52.8 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 172.1 | -75.5 | 153.7 | 0 | 0 | 0 | 111 | S59 N126 R132 D133 | S59-L129 WeakPolarHBondContact OG-CD1 3.35Å; N126-L129 PolarHBondContact O-N 2.96Å; L129-R132 PolarHBondContact O-N 3.42Å; L129-D133 WeakPolarHBondContact O-CB 3.46Å; L129-D133 VanDerWaalsContact O-CG 3.26Å; L129-D133 PolarHBondContact O-N 3.17Å |
| 130 | L | 71.8 | Confident | 69.4 | Low | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 178.1 | -176 | 68.4 | 0 | 0 | 0 | 112.2 | L63 V64 F67 N126 I127 R132 D133 L134 L141 | L63-L130 HydrophobicContact CD1-CB 4.37Å; L63-L130 HydrophobicContact CD1-CD2 4.19Å; V64-L130 HydrophobicContact CG2-CD1 3.49Å; V64-L130 VanDerWaalsContact CG2-CD1 3.49Å; F67-L130 HydrophobicContact CD2-CD2 3.86Å; F67-L130 HydrophobicContact CE2-CD2 3.43Å; F67-L130 VanDerWaalsContact CE2-CD2 3.43Å; N126-L130 WeakPolarHBondContact O-CB 3.49Å; N126-L130 PolarHBondContact O-N 2.83Å; I127-L130 HydrophobicContact CD1-CD2 4.39Å; I127-L130 PolarHBondContact O-N 3.08Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 2.85Å; L130-D133 PolarHBondContact O-N 3.46Å; L130-L134 HydrophobicContact CD1-CD1 4.23Å; L130-L134 HydrophobicContact CD2-CD1 4.38Å; L130-L134 HydrophobicContact CG-CD1 3.86Å; L130-L134 VanDerWaalsContact O-CB 3.31Å; L130-L134 WeakPolarHBondContact O-CB 3.38Å; L130-L134 PolarHBondContact O-N 3.4Å; L130-L141 HydrophobicContact CD1-CD1 4.28Å |
| 131 | R | 75.7 | Confident | 68.8 | Low | 58 Ų | 58 | 62.1 Ų | 62.1 | 22% | 0.219 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 174.5 | -76.3 | 179.4 | -176.6 | 146.9 | 7.8 | 111.2 | L92 V93 G95 I127 D128 A135 | L92-R131 PolarHBondContact O-NH2 2.94Å; V93-R131 PolarHBondContact O-NE 3.22Å; V93-R131 VanDerWaalsContact O-NE 3.14Å; G95-R131 VanDerWaalsContact CA-NH2 3.31Å; I127-R131 WeakPolarHBondContact O-CG 3.43Å; I127-R131 PolarHBondContact O-N 3.13Å; D128-R131 IonicContact OD1-NH1 3.04Å; R131-A135 WeakPolarHBondContact O-CB 3.44Å; R131-A135 PolarHBondContact O-N 2.89Å |
| 132 | R | 73.8 | Confident | 67.6 | Low | 105 Ų | 105 | 62.4 Ų | 62.4 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 175 | -170 | 178.6 | 70.2 | 171.8 | 3.8 | 112.2 | D128 L129 L130 A135 N136 | D128-R132 WeakPolarHBondContact O-CB 3.2Å; D128-R132 PolarHBondContact O-N 3.28Å; D128-R132 VanDerWaalsContact O-N 3.09Å; L129-R132 PolarHBondContact O-N 3.42Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 2.85Å; R132-A135 PolarHBondContact O-N 2.75Å; R132-N136 VanDerWaalsContact O-CB 3.25Å; R132-N136 WeakPolarHBondContact O-CB 3.47Å; R132-N136 PolarHBondContact O-N 3.17Å; R132-N136 PolarHBondContact O-ND2 3.37Å |
| 133 | D | 69.7 | Low | 66.5 | Low | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.032 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -73 | -32.9 | -179 | -70.2 | -15.5 | 0 | 0 | 0 | 112.9 | L57 S60 L129 L130 G137 V138 C139 | L57-D133 WeakPolarHBondContact CD1-OD2 3.33Å; S60-D133 WeakPolarHBondContact CB-OD2 3.39Å; S60-D133 PolarHBondContact OG-OD2 3.47Å; L129-D133 WeakPolarHBondContact O-CB 3.46Å; L129-D133 VanDerWaalsContact O-CG 3.26Å; L129-D133 PolarHBondContact O-N 3.17Å; L130-D133 PolarHBondContact O-N 3.46Å; D133-G137 PolarHBondContact O-N 3.04Å; D133-V138 HydrophobicContact CB-CB 4.25Å; D133-V138 PolarHBondContact O-N 2.83Å; D133-C139 HydrophobicContact CB-CB 4.49Å; D133-C139 PolarHBondContact O-N 3.3Å |
| 134 | L | 69.5 | Low | 65.3 | Low | 12 Ų | 12 | 66.2 Ų | 66.2 | 6% | 0.063 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.6 | -43 | 170.1 | -87.6 | 160.2 | 0 | 0 | 0 | 111.6 | V93 L130 N136 G137 L141 | V93-L134 HydrophobicContact CG1-CD1 3.72Å; V93-L134 HydrophobicContact CG2-CD1 3.88Å; L130-L134 HydrophobicContact CD1-CD1 4.23Å; L130-L134 HydrophobicContact CD2-CD1 4.38Å; L130-L134 HydrophobicContact CG-CD1 3.86Å; L130-L134 VanDerWaalsContact O-CB 3.31Å; L130-L134 WeakPolarHBondContact O-CB 3.38Å; L130-L134 PolarHBondContact O-N 3.4Å; L134-N136 VanDerWaalsContact C-N 3.33Å; L134-N136 PolarHBondContact O-N 3.19Å; L134-G137 PolarHBondContact O-N 3.3Å; L134-L141 HydrophobicContact CD1-CD1 3.97Å; L134-L141 HydrophobicContact CD2-CD1 3.87Å; L134-L141 HydrophobicContact CG-CD1 4.14Å |
| 135 | A | 60.9 | Low | 63.8 | Low | 51 Ų | 51 | 66.6 Ų | 66.6 | 42% | 0.421 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R131 R132 G137 | R131-A135 WeakPolarHBondContact O-CB 3.44Å; R131-A135 PolarHBondContact O-N 2.89Å; R132-A135 PolarHBondContact O-N 2.75Å; A135-G137 VanDerWaalsContact C-N 3.32Å |
| 136 | N | 59.3 | Low | 62.8 | Low | 110 Ų | 110 | 64.8 Ų | 64.8 | 59% | 0.588 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -1.3 | 178.3 | -67.3 | -16.1 | 0 | 0 | 0 | 113.6 | R132 L134 V138 | R132-N136 VanDerWaalsContact O-CB 3.25Å; R132-N136 WeakPolarHBondContact O-CB 3.47Å; R132-N136 PolarHBondContact O-N 3.17Å; R132-N136 PolarHBondContact O-ND2 3.37Å; L134-N136 VanDerWaalsContact C-N 3.33Å; L134-N136 PolarHBondContact O-N 3.19Å; N136-V138 HydrophobicContact CB-CG2 3.86Å; N136-V138 PolarHBondContact O-N 3.19Å |
| 137 | G | 61.2 | Low | 61.4 | Low | 53 Ų | 53 | 65.7 Ų | 65.7 | 55% | 0.546 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 14.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | D133 L134 A135 C139 | D133-G137 PolarHBondContact O-N 3.04Å; L134-G137 PolarHBondContact O-N 3.3Å; A135-G137 VanDerWaalsContact C-N 3.32Å; G137-C139 VanDerWaalsContact C-N 3.31Å |
| 138 | V | 56.1 | Low | 59.7 | Low | 84 Ų | 84 | 69.7 Ų | 69.7 | 51% | 0.509 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -74.5 | -25 | -178.8 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | L57 D133 N136 | L57-V138 HydrophobicContact CD1-CG1 4.17Å; L57-V138 HydrophobicContact CD2-CG1 4.42Å; D133-V138 HydrophobicContact CB-CB 4.25Å; D133-V138 PolarHBondContact O-N 2.83Å; N136-V138 HydrophobicContact CB-CG2 3.86Å; N136-V138 PolarHBondContact O-N 3.19Å |
| 139 | C | 52.1 | Low | 58.6 | Low | 19 Ų | 19 | 73.9 Ų | 73.9 | 13% | 0.128 | 39% | 0.39 | C | S | . | . | trans | -132.2 | 135.8 | 176.6 | -68.3 | 0 | 0 | 0 | 0 | 110.4 | V64 D133 G137 | V64-C139 HydrophobicContact CG2-CB 3.98Å; D133-C139 HydrophobicContact CB-CB 4.49Å; D133-C139 PolarHBondContact O-N 3.3Å; G137-C139 VanDerWaalsContact C-N 3.31Å | ||
| 140 | R | 49.4 | Very low | 57 | Low | 227 Ų | 227 | 78.4 Ų | 78.4 | 86% | 0.857 | 41% | 0.414 | S | S | * | . | trans | -114.4 | 121.2 | 170.3 | -77.1 | -168.5 | 160.9 | 123.7 | -0.7 | 109.3 | ||||
| 141 | L | 60.6 | Low | 55.8 | Low | 13 Ų | 13 | 84.9 Ų | 84.9 | 7% | 0.068 | 45% | 0.447 | C | S | . | . | trans | -93.7 | 135 | 166.4 | -72.6 | 104.8 | 0 | 0 | 0 | 108.9 | F67 L130 L134 I144 | F67-L141 HydrophobicContact CB-CD2 3.36Å; F67-L141 HydrophobicContact CD2-CD2 3.92Å; F67-L141 HydrophobicContact CG-CD2 4.07Å; L130-L141 HydrophobicContact CD1-CD1 4.28Å; L134-L141 HydrophobicContact CD1-CD1 3.97Å; L134-L141 HydrophobicContact CD2-CD1 3.87Å; L134-L141 HydrophobicContact CG-CD1 4.14Å; L141-I144 HydrophobicContact CB-CB 4.13Å; L141-I144 HydrophobicContact CB-CD1 3.92Å; L141-I144 HydrophobicContact CB-CG1 4.03Å; L141-I144 HydrophobicContact CD2-CD1 4.01Å; L141-I144 HydrophobicContact CG-CD1 4.47Å | ||
| 142 | P | 51.5 | Low | 54.3 | Low | 66 Ų | 66 | 88.4 Ų | 88.4 | 43% | 0.429 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 136 | 175 | 24.8 | -26.6 | 0 | 0 | 0 | 109.5 | N68 L71 I144 | N68-P142 WeakPolarHBondContact OD1-CD 3.4Å; L71-P142 HydrophobicContact CD2-CB 4.41Å; L71-P142 HydrophobicContact CD2-CG 3.91Å; L71-P142 WeakPolarHBondContact CD2-O 3.42Å; P142-I144 PolarHBondContact O-N 2.82Å |
| 143 | N | 53.2 | Low | 52.4 | Low | 130 Ų | 130 | 90 Ų | 90 | 70% | 0.695 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 14.6 | -179.3 | -89.6 | 0.6 | 0 | 0 | 0 | 118.5 | ||
| 144 | I | 53.8 | Low | 50.6 | Low | 16 Ų | 16 | 93.1 Ų | 93.1 | 8% | 0.082 | 52% | 0.519 | C | S | . | . | trans | -117.3 | 118.9 | 176.9 | -49.1 | -169 | 0 | 0 | 0 | 109.6 | I89 V93 L141 P142 | I89-I144 HydrophobicContact CB-CD1 3.7Å; I89-I144 HydrophobicContact CD1-CD1 4.49Å; I89-I144 HydrophobicContact CG2-CD1 3.21Å; V93-I144 HydrophobicContact CG2-CG2 4.36Å; L141-I144 HydrophobicContact CB-CB 4.13Å; L141-I144 HydrophobicContact CB-CD1 3.92Å; L141-I144 HydrophobicContact CB-CG1 4.03Å; L141-I144 HydrophobicContact CD2-CD1 4.01Å; L141-I144 HydrophobicContact CG-CD1 4.47Å; P142-I144 PolarHBondContact O-N 2.82Å | ||
| 145 | Q | 48.5 | Very low | 49.3 | Very low | 153 Ų | 153 | 97.9 Ų | 97.9 | 72% | 0.715 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 132.2 | 179.7 | -137.1 | 169.8 | 35.2 | 0 | 0 | 108.9 | Q90 | Q90-Q145 PolarHBondContact NE2-O 3.48Š|
| 146 | P | 49.6 | Very low | 48.2 | Very low | 82 Ų | 82 | 101.3 Ų | 101.3 | 53% | 0.532 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -59 | 138 | 176.8 | 23.4 | -31.7 | 0 | 0 | 0 | 109.8 | ||
| 147 | P | 44.3 | Very low | 47.1 | Very low | 27 Ų | 27 | 101.4 Ų | 101.4 | 18% | 0.175 | 57% | 0.572 | C | S | . | * | P | Polyproline II helix | trans | -59.6 | 141.2 | -178.9 | 22.7 | -30.6 | 0 | 0 | 0 | 110.3 | V93 | V93-P147 HydrophobicContact CG1-CG 4.11Š|
| 148 | P | 43 | Very low | 45.8 | Very low | 99 Ų | 99 | 103.3 Ų | 103.3 | 64% | 0.643 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 141.3 | 174.9 | -21.2 | 31.2 | 0 | 0 | 0 | 111 | D150 | P148-D150 PolarHBondContact O-N 2.86Š|
| 149 | K | 51.1 | Low | 44.9 | Very low | 194 Ų | 194 | 104.2 Ų | 104.2 | 84% | 0.843 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -66.7 | 11.9 | -169.1 | -70.2 | 178.2 | 177.7 | 175.2 | 0 | 116 | ||
| 150 | D | 42.6 | Very low | 44 | Very low | 141 Ų | 141 | 108.9 Ų | 108.9 | 75% | 0.754 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -101.3 | 12.6 | -166.6 | -68.1 | -35 | 0 | 0 | 0 | 115.7 | P148 | P148-D150 PolarHBondContact O-N 2.86Š|
| 151 | I | 46.3 | Very low | 43.3 | Very low | 136 Ų | 136 | 103.9 Ų | 103.9 | 70% | 0.697 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -110.7 | 1.9 | 177.5 | -56 | 173 | 0 | 0 | 0 | 113 | ||
| 152 | F | 43.9 | Very low | 42.1 | Very low | 133 Ų | 133 | 107.8 Ų | 107.8 | 58% | 0.583 | 64% | 0.641 | S | S | * | * | trans | -111.3 | 56.5 | 176.9 | -78.8 | -84.6 | 0 | 0 | 0 | 112.7 | ||||
| 153 | T | 34 | Very low | 41.2 | Very low | 138 Ų | 138 | 112.5 Ų | 112.5 | 85% | 0.847 | 66% | 0.661 | S | S | * | * | trans | -97.8 | 86 | 165.4 | 48.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 154 | G | 32.8 | Very low | 40.2 | Very low | 71 Ų | 71 | 111.6 Ų | 111.6 | 73% | 0.732 | 66% | 0.659 | S | S | * | * | trans | -174.2 | 43.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 155 | V | 42 | Very low | 39.1 | Very low | 113 Ų | 113 | 116.9 Ų | 116.9 | 69% | 0.685 | 69% | 0.693 | S | S | * | * | trans | -102.5 | 122.8 | 171.1 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | T157 | V155-T157 PolarHBondContact O-N 3.5Š| ||
| 156 | P | 37.3 | Very low | 38.5 | Very low | 123 Ų | 123 | 115.3 Ų | 115.3 | 80% | 0.799 | 69% | 0.693 | S | S | * | * | trans | -73.2 | 106.2 | 151 | 30.1 | -24.6 | 0 | 0 | 0 | 106.6 | A158 | P156-A158 PolarHBondContact O-N 3.13Š| ||
| 157 | T | 36.8 | Very low | 37.6 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | trans | -11.1 | 108.8 | 161.3 | -62.8 | 0 | 0 | 0 | 0 | 114.6 | V155 V159 | V155-T157 PolarHBondContact O-N 3.5Å; T157-V159 HydrophobicContact CG2-CG1 3.98Å; T157-V159 PolarHBondContact O-N 3.28Å | ||
| 158 | A | 33.1 | Very low | 37.3 | Very low | 92 Ų | 92 | 123.1 Ų | 123.1 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | trans | -74.5 | 100.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | P156 | P156-A158 PolarHBondContact O-N 3.13Š| ||
| 159 | V | 37.6 | Very low | 36.7 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 62% | 0.624 | 73% | 0.734 | S | S | * | * | trans | -61.2 | 127.8 | 166.9 | -80.3 | 0 | 0 | 0 | 0 | 109.2 | T157 V161 | T157-V159 HydrophobicContact CG2-CG1 3.98Å; T157-V159 PolarHBondContact O-N 3.28Å; V159-V161 HydrophobicContact CG2-CG2 4.3Å; V159-V161 PolarHBondContact O-N 3.43Å | ||
| 160 | P | 32.8 | Very low | 36 | Very low | 118 Ų | 118 | 122.2 Ų | 122.2 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | trans | -75.7 | 103 | 166.8 | 30.7 | -28.4 | 0 | 0 | 0 | 107.2 | S162 | P160-S162 PolarHBondContact O-N 3.25Å; P160-S162 VanDerWaalsContact O-N 3.09Å | ||
| 161 | V | 35.6 | Very low | 35.7 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 74% | 0.739 | 73% | 0.733 | S | S | * | * | trans | -78.7 | 96.1 | 169.8 | -177.7 | 0 | 0 | 0 | 0 | 107.4 | V159 I163 | V159-V161 HydrophobicContact CG2-CG2 4.3Å; V159-V161 PolarHBondContact O-N 3.43Å; V161-I163 PolarHBondContact O-N 3.03Å | ||
| 162 | S | 35.1 | Very low | 35.3 | Very low | 95 Ų | 95 | 120.7 Ų | 120.7 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | trans | -56.2 | 125.7 | 166 | -68.5 | 0 | 0 | 0 | 0 | 110 | P160 V164 | P160-S162 PolarHBondContact O-N 3.25Å; P160-S162 VanDerWaalsContact O-N 3.09Å; S162-V164 PolarHBondContact O-N 3.5Å | ||
| 163 | I | 31.5 | Very low | 34.8 | Very low | 165 Ų | 165 | 121.8 Ų | 121.8 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -74 | 100.3 | 171.3 | -36.8 | 166 | 0 | 0 | 0 | 105.7 | V161 | V161-I163 PolarHBondContact O-N 3.03Š| ||
| 164 | V | 32.7 | Very low | 34.8 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | trans | -115.7 | 101.6 | 170 | 172.7 | 0 | 0 | 0 | 0 | 108.4 | S162 T166 | S162-V164 PolarHBondContact O-N 3.5Å; V164-T166 HydrophobicContact CG1-CG2 4.2Å; V164-T166 PolarHBondContact O-N 3.41Å | ||
| 165 | T | 30.2 | Very low | 35 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -53.3 | 111.3 | 155.8 | -60.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 166 | T | 36.6 | Very low | 34.7 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | trans | -146.1 | 114.7 | 153.8 | 44.8 | 0 | 0 | 0 | 0 | 110.4 | V164 | V164-T166 HydrophobicContact CG1-CG2 4.2Å; V164-T166 PolarHBondContact O-N 3.41Å | ||
| 167 | L | 30.4 | Very low | 34.5 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | -64.8 | 145.2 | 167.2 | -159.9 | 75.8 | 0 | 0 | 0 | 109.4 | T169 | L167-T169 VanDerWaalsContact CD2-OG1 3.32Å; L167-T169 WeakPolarHBondContact CD2-OG1 3.36Å | ||
| 168 | P | 37.6 | Very low | 34.5 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -129.3 | 121.9 | 134.1 | 30.5 | -16.9 | 0 | 0 | 0 | 111.9 | ||||
| 169 | T | 30.4 | Very low | 34.3 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | trans | -69.8 | 163.1 | 168.5 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | L167 | L167-T169 VanDerWaalsContact CD2-OG1 3.32Å; L167-T169 WeakPolarHBondContact CD2-OG1 3.36Å | ||
| 170 | L | 37.4 | Very low | 34.2 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | trans | 99.2 | 119.5 | 168.9 | -52.2 | 173.4 | 0 | 0 | 0 | 113.4 | ||||
| 171 | G | 36.3 | Very low | 34 | Very low | 64 Ų | 64 | 128.7 Ų | 128.7 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | cis | 164.1 | 150.2 | 1.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 172 | L | 37 | Very low | 33.7 | Very low | 180 Ų | 180 | 129 Ų | 129 | 94% | 0.942 | 77% | 0.765 | S | S | * | * | trans | 76.5 | 125.3 | 166.8 | -44 | 171.6 | 0 | 0 | 0 | 114.3 | ||||
| 173 | Q | 33.8 | Very low | 33.7 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | cis | -164.5 | 145.3 | 36 | -158 | -101.1 | 20.5 | 0 | 0 | 110.3 | ||||
| 174 | P | 33.1 | Very low | 33.8 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | trans | -111.5 | 148.9 | -172.5 | 38.3 | -27.9 | 0 | 0 | 0 | 113.9 | ||||
| 175 | R | 37.3 | Very low | 34.1 | Very low | 232 Ų | 232 | 133.1 Ų | 133.1 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | trans | 176.4 | 149.3 | 152.4 | -106.3 | 176.1 | 154.3 | 111.8 | -2 | 109.5 | ||||
| 176 | S | 37 | Very low | 34.2 | Very low | 85 Ų | 85 | 133.2 Ų | 133.2 | 59% | 0.594 | 79% | 0.793 | S | S | * | * | cis | -178.3 | 127.1 | -31.3 | 46.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 177 | N | 32.3 | Very low | 34.3 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | 46.9 | 128.1 | 144.7 | -57.2 | -10.6 | 0 | 0 | 0 | 122.9 | ||||
| 178 | A | 37 | Very low | 34.7 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | 157.3 | 105.3 | 123.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 179 | A | 29.3 | Very low | 35.1 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | 47.9 | 116 | 87.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 180 | V | 34 | Very low | 35.7 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | -176.3 | 142.3 | 124.6 | 173.7 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 181 | S | 29.3 | Very low | 35.8 | Very low | 93 Ų | 93 | 128.3 Ų | 128.3 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | trans | -73.3 | 162.2 | -172.1 | -49.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 182 | T | 29.1 | Very low | 36 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 42.3 | 124.3 | 136.6 | 57.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 183 | T | 36.3 | Very low | 36.2 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | -160 | 138.9 | 128.6 | -29.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 184 | L | 32.5 | Very low | 36.3 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -73.8 | 149.8 | 169.4 | -62.6 | 152.3 | 0 | 0 | 0 | 110.9 | ||||
| 185 | V | 39.4 | Very low | 36.7 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -149.5 | 127.4 | 145.2 | -77.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 186 | S | 31.2 | Very low | 36.5 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -90.7 | 153.4 | 167.1 | -81.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 187 | S | 38.9 | Very low | 36.7 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -171.8 | 100 | 156.9 | 169.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 188 | A | 39.4 | Very low | 37.3 | Very low | 86 Ų | 86 | 125.8 Ų | 125.8 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | 77.4 | 90.3 | 75.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 189 | V | 45.2 | Very low | 37.5 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | 9.2 | 145.8 | 127.8 | -157.5 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 190 | P | 43.6 | Very low | 37.8 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | -159.3 | 166.1 | 79 | 39.6 | -15.3 | 0 | 0 | 0 | 122.5 | |||||
| 191 | A | 39.5 | Very low | 38.2 | Very low | 104 Ų | 104 | 128 Ų | 128 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 71 | 133.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 192 | G | 40.5 | Very low | 38.6 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | cis | 123.6 | 163.6 | 29.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 193 | P | 42.6 | Very low | 39.4 | Very low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -137.5 | 158.5 | -16.7 | 40.1 | -20.8 | 0 | 0 | 0 | 116.6 | ||||
| 194 | R | 35.1 | Very low | 39.2 | Very low | 218 Ų | 218 | 134.2 Ų | 134.2 | 82% | 0.823 | 80% | 0.796 | S | S | * | * | trans | 37.8 | 123.2 | 131.7 | -150.4 | -178.6 | -166.3 | 176.1 | 3.4 | 122.2 | T196 | R194-T196 HydrophobicContact CG-CG2 4.48Š| ||
| 195 | I | 41.4 | Very low | 39.7 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 89% | 0.892 | 79% | 0.794 | S | S | * | * | trans | -136.5 | 139.7 | 141.5 | -66.1 | -168 | 0 | 0 | 0 | 110.2 | ||||
| 196 | T | 34 | Very low | 39.6 | Very low | 93 Ų | 93 | 133 Ų | 133 | 57% | 0.571 | 79% | 0.789 | S | S | * | * | trans | -117.1 | 170.3 | -175.5 | 39 | 0 | 0 | 0 | 0 | 111.6 | R194 | R194-T196 HydrophobicContact CG-CG2 4.48Š| ||
| 197 | L | 40.5 | Very low | 39.7 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 108.7 | 159.6 | 148.8 | -116.7 | 82.7 | 0 | 0 | 0 | 118.7 | ||||
| 198 | P | 45.3 | Very low | 39.9 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 60% | 0.597 | 78% | 0.782 | S | S | * | * | -139.8 | -153.1 | -88.4 | 46.3 | -28.2 | 0 | 0 | 0 | 114.9 | |||||
| 199 | T | 40.4 | Very low | 39.8 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 85.1 | 145.5 | 155.8 | 56.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 200 | N | 36.4 | Very low | 39.5 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | cis | -173.7 | 165 | -6.2 | -172.1 | 3.3 | 0 | 0 | 0 | 110.5 | ||||
| 201 | T | 41.3 | Very low | 39.1 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | trans | 80.4 | 120.9 | 148.2 | 50 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 202 | T | 38.9 | Very low | 38.9 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | -82 | 170.6 | 153.4 | 45.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 203 | P | 44.4 | Very low | 39 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | -148.7 | 174.2 | 107.1 | 35.8 | -16.8 | 0 | 0 | 0 | 116.4 | |||||
| 204 | R | 33.5 | Very low | 38.9 | Very low | 233 Ų | 233 | 139.8 Ų | 139.8 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -118.4 | 141.2 | -173.1 | 175.6 | -169.3 | -170.4 | 178.5 | 2.9 | 108.2 | ||||
| 205 | I | 41.7 | Very low | 39 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -161.7 | 111.4 | 162.4 | -90.9 | 139.7 | 0 | 0 | 0 | 106.4 | ||||
| 206 | V | 37.2 | Very low | 39 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | 57.4 | 124.5 | 91.9 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 207 | G | 33.1 | Very low | 39.1 | Very low | 61 Ų | 61 | 133.8 Ų | 133.8 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | cis | 142 | 139.1 | 15.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 208 | T | 44.9 | Very low | 39.4 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | -175.2 | 150 | 156.4 | 24.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 209 | L | 36.1 | Very low | 39.2 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -107.7 | 176 | -161.3 | -70 | 147.7 | 0 | 0 | 0 | 113.1 | ||||
| 210 | M | 39.1 | Very low | 39.3 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | 88.6 | 117.9 | 149.6 | -46.3 | -173.6 | 72.9 | 0 | 0 | 119.3 | ||||
| 211 | S | 35.3 | Very low | 40 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | 178.6 | 139.2 | 111.2 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 212 | S | 35.5 | Very low | 40 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | -122.8 | 147.2 | -171 | 47.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 213 | V | 41.7 | Very low | 40.3 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | trans | 167 | 153.1 | 149.4 | -81.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 214 | S | 41.4 | Very low | 40 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | cis | -171.5 | 153.6 | -24.1 | -90.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 215 | S | 37.1 | Very low | 40.5 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -71.2 | -170.3 | 176.7 | -37.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 216 | P | 41.5 | Very low | 40.4 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | -142.9 | 158.4 | 30 | 32.2 | -5.9 | 0 | 0 | 0 | 116.5 | ||||
| 217 | V | 36.9 | Very low | 41.2 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | 51.5 | 116.7 | 90.8 | -173.1 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 218 | I | 46.3 | Very low | 41.6 | Very low | 169 Ų | 169 | 127.7 Ų | 127.7 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -149.4 | 131.5 | 150.6 | -56.6 | -180 | 0 | 0 | 0 | 109.8 | ||||
| 219 | P | 40.6 | Very low | 41.3 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | trans | -118.4 | 163.2 | 164.8 | 37.8 | -25.8 | 0 | 0 | 0 | 113.4 | ||||
| 220 | S | 42.4 | Very low | 41.6 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 142.8 | 148.1 | 137.8 | 63.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 221 | S | 50.5 | Low | 41.6 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 106.6 | 122.5 | 158.9 | 76.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 222 | P | 41.2 | Very low | 42.1 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -126.6 | 141 | 156.3 | 36.7 | -23.2 | 0 | 0 | 0 | 112.5 | ||||
| 223 | V | 45.8 | Very low | 42.8 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -158.4 | 111.7 | 168.1 | 170.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 224 | T | 38.3 | Very low | 42.7 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | 64.7 | 114 | 107.3 | -46.4 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 225 | V | 42.8 | Very low | 42.7 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | trans | -154 | 126.9 | 137.8 | -170.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 226 | P | 40.8 | Very low | 43 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 60% | 0.597 | 78% | 0.776 | S | S | * | * | trans | -118.6 | 172.1 | 163.2 | 37.1 | -24.7 | 0 | 0 | 0 | 113.6 | ||||
| 227 | T | 52.9 | Low | 43.1 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 86.8 | 159.4 | 159.6 | 69.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 228 | P | 41.8 | Very low | 43.3 | Very low | 107 Ų | 107 | 130 Ų | 130 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | cis | -139 | 164.1 | -18.5 | 22.5 | 2 | 0 | 0 | 0 | 116.7 | ||||
| 229 | R | 38.6 | Very low | 43.8 | Very low | 238 Ų | 238 | 127.7 Ų | 127.7 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | 27 | 126.7 | 137.5 | -64 | 176.6 | 154.7 | 137.7 | -4.5 | 121.8 | ||||
| 230 | T | 41.9 | Very low | 44.1 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | -158 | 113.4 | 123.5 | -3.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 231 | Q | 40.8 | Very low | 44 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -78.6 | 173.6 | 154.1 | -131.7 | -169.4 | -38.9 | 0 | 0 | 107.7 | ||||
| 232 | P | 46 | Very low | 43.7 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | cis | -152.7 | -153.9 | 49.3 | 47.9 | -22.9 | 0 | 0 | 0 | 112.8 | ||||
| 233 | P | 49.8 | Very low | 43.2 | Very low | 89 Ų | 89 | 134 Ų | 134 | 58% | 0.578 | 78% | 0.778 | S | S | * | * | -136.6 | -164.8 | -114.3 | 37.5 | -11.7 | 0 | 0 | 0 | 115 | |||||
| 234 | L | 39.7 | Very low | 43 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | 68.1 | 115 | 151.8 | -65.8 | 165.4 | 0 | 0 | 0 | 120.2 | ||||
| 235 | L | 41.2 | Very low | 43 | Very low | 173 Ų | 173 | 136 Ų | 136 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | 169.9 | 121.8 | 117.8 | -94.4 | 144.1 | 0 | 0 | 0 | 111.5 | |||||
| 236 | A | 42.3 | Very low | 42.9 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | -82.5 | -169.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 237 | P | 43.7 | Very low | 42.8 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | cis | -138.9 | -175.8 | -10.5 | 36.7 | -15.7 | 0 | 0 | 0 | 114.7 | ||||
| 238 | A | 41.7 | Very low | 42.5 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 86.3 | 131.1 | 147.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 239 | P | 57.9 | Low | 42.2 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -99.9 | 162.9 | 160.3 | 38.2 | -28.7 | 0 | 0 | 0 | 111.4 | ||||
| 240 | P | 46.2 | Very low | 42.4 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | -155.1 | 157.1 | 118.2 | 33.6 | -13.4 | 0 | 0 | 0 | 117.3 | |||||
| 241 | R | 40.7 | Very low | 42.3 | Very low | 226 Ų | 226 | 135 Ų | 135 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | 54.9 | 121.9 | 137.9 | -68.8 | 176.7 | 147.7 | 138.1 | -2.2 | 121.3 | ||||
| 242 | T | 43.9 | Very low | 42.2 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 91% | 0.908 | 78% | 0.781 | S | S | * | * | trans | -146.2 | 131.2 | 131.1 | 40.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 243 | C | 31.4 | Very low | 41.9 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | trans | -109.1 | 137.8 | -177.1 | -27.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 244 | I | 41.7 | Very low | 41.5 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 82% | 0.821 | 80% | 0.795 | S | S | * | * | trans | -153.2 | 101.7 | 155.4 | -46.4 | 178.3 | 0 | 0 | 0 | 106.5 | ||||
| 245 | T | 37 | Very low | 41.4 | Very low | 129 Ų | 129 | 130 Ų | 130 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | 57.7 | 114.2 | 98.6 | -29.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 246 | S | 41.2 | Very low | 41.5 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | -164.6 | 152 | 75.6 | 39.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 247 | A | 38.9 | Very low | 41.5 | Very low | 91 Ų | 91 | 130 Ų | 130 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -87.7 | 160.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 248 | T | 45.5 | Very low | 41.5 | Very low | 129 Ų | 129 | 130 Ų | 130 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | -164.1 | 141.6 | 127.4 | 31.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 249 | N | 35.9 | Very low | 41.3 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | -53.5 | 170 | -174.9 | -65.3 | -55.7 | 0 | 0 | 0 | 114.6 | ||||
| 250 | Y | 43.6 | Very low | 40.5 | Very low | 204 Ų | 204 | 128.2 Ų | 128.2 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | -165.7 | 149.2 | 55.3 | -16.9 | -85.3 | 0 | 0 | 0 | 112.6 | |||||
| 251 | D | 39.1 | Very low | 40.2 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 44.6 | 119.7 | 156.2 | -79.9 | -26.9 | 0 | 0 | 0 | 121.9 | ||||
| 252 | A | 38.6 | Very low | 40.2 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | cis | 97.9 | 108.9 | 47.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 253 | A | 40.1 | Very low | 39.6 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | 164.6 | 120.9 | 125.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 254 | S | 41.9 | Very low | 39.8 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | 51.7 | 138.6 | 143.1 | 63.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 255 | S | 37.7 | Very low | 39.5 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | cis | -164.7 | 148.7 | 13.7 | -167.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 256 | P | 43.6 | Very low | 39.6 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -105.4 | 156 | -178.3 | 37.8 | -29 | 0 | 0 | 0 | 113.2 | ||||
| 257 | N | 40.9 | Very low | 39.1 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -162.9 | 130.7 | 141.2 | -124.1 | 0.5 | 0 | 0 | 0 | 114.7 | ||||
| 258 | T | 44 | Very low | 39.1 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | 51 | 121.1 | 142.5 | 56.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 259 | G | 37.6 | Very low | 38.7 | Very low | 79 Ų | 79 | 141.7 Ų | 141.7 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | cis | 104 | 92 | 26.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 260 | A | 41.8 | Very low | 38.6 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -164.9 | 123.8 | 152 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 261 | K | 40.2 | Very low | 38.4 | Very low | 207 Ų | 207 | 136.1 Ų | 136.1 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | trans | -101.5 | 138.8 | 177.9 | -58.9 | 171.9 | 179.9 | 174.5 | 0 | 108.1 | ||||
| 262 | Y | 39 | Very low | 38.1 | Very low | 231 Ų | 231 | 133.9 Ų | 133.9 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -148.8 | 132.1 | 144.8 | 42.1 | -90.3 | 0 | 0 | 0 | 110 | ||||
| 263 | R | 31.1 | Very low | 38 | Very low | 237 Ų | 237 | 135.5 Ų | 135.5 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | trans | -125 | 123.1 | -176.1 | 169.2 | -168.7 | -166 | -179.7 | 5.3 | 105.7 | ||||
| 264 | L | 36.5 | Very low | 37.7 | Very low | 162 Ų | 162 | 137 Ų | 137 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | -173.7 | 103.7 | 153 | -137.6 | 62.2 | 0 | 0 | 0 | 106.6 | ||||
| 265 | A | 36.2 | Very low | 37.6 | Very low | 79 Ų | 79 | 136 Ų | 136 | 65% | 0.653 | 81% | 0.813 | S | S | * | * | 51.6 | 107.9 | 89.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 266 | Q | 38.7 | Very low | 37.4 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | 169.8 | 134.2 | 120.1 | -92.7 | 177.5 | -29.6 | 0 | 0 | 111.5 | |||||
| 267 | S | 30.2 | Very low | 37.2 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -85.9 | 143 | 162.5 | -48.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 268 | F | 38.9 | Very low | 37 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | trans | -172.3 | 131.8 | 141.8 | -86.6 | -61.4 | 0 | 0 | 0 | 111.6 | ||||
| 269 | S | 36.7 | Very low | 36.5 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | 53.4 | 131.2 | 135.7 | -49.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 270 | G | 35.2 | Very low | 36.4 | Very low | 75 Ų | 75 | 139.1 Ų | 139.1 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -85 | -179 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 271 | V | 37.7 | Very low | 36 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -145.2 | 127.4 | 165.7 | -78.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 272 | S | 32.7 | Very low | 36 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -74.8 | 147.7 | 164.2 | -56.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 273 | S | 37.9 | Very low | 35.7 | Very low | 124 Ų | 124 | 130 Ų | 130 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -154.8 | 117.2 | 156.3 | -72.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 274 | S | 33 | Very low | 36 | Very low | 123 Ų | 123 | 123 Ų | 123 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -86.1 | 151.5 | 179.5 | -43.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 275 | A | 39.6 | Very low | 36 | Very low | 100 Ų | 100 | 121.7 Ų | 121.7 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -149.4 | 120.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 276 | S | 34.8 | Very low | 36 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -57.8 | 172.2 | 163.2 | 43 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 277 | V | 37.9 | Very low | 35.8 | Very low | 127 Ų | 127 | 121 Ų | 121 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | -173.6 | 123.7 | 83.9 | -165.5 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 278 | V | 37.7 | Very low | 36.1 | Very low | 123 Ų | 123 | 121 Ų | 121 | 75% | 0.745 | 80% | 0.804 | S | S | * | * | trans | 61.6 | 111.7 | 132 | -173.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 279 | S | 32.8 | Very low | 36 | Very low | 103 Ų | 103 | 118.7 Ų | 118.7 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | 82.2 | 123.2 | 87.9 | -47.1 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 280 | N | 35.6 | Very low | 35.9 | Very low | 176 Ų | 176 | 122.9 Ų | 122.9 | 94% | 0.941 | 80% | 0.804 | S | S | * | * | -167.7 | 140.7 | 124.9 | -114.4 | 25.1 | 0 | 0 | 0 | 112.1 | |||||
| 281 | A | 33.8 | Very low | 35.9 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -109 | 153.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 282 | T | 40.9 | Very low | 35.8 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 95% | 0.945 | 79% | 0.793 | S | S | * | * | trans | -162.9 | 144.6 | 146.5 | 34.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 283 | A | 32.7 | Very low | 35.8 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -103.5 | 158.2 | -160 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 284 | A | 37 | Very low | 35.5 | Very low | 91 Ų | 91 | 125.6 Ų | 125.6 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -175.3 | 104.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 285 | T | 36.5 | Very low | 35.6 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | 55.1 | 114.4 | 103.5 | -35 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 286 | V | 35.3 | Very low | 35.3 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | -175.7 | 124.7 | 82 | 165.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 287 | V | 35.5 | Very low | 35.2 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | 47.6 | 108.7 | 136.3 | -172.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 288 | S | 35.2 | Very low | 35.2 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | 78.9 | 119.9 | 84.7 | -132.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 289 | T | 37 | Very low | 34.7 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | -153.6 | 138 | 70.5 | 41.7 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 290 | R | 35.7 | Very low | 35 | Very low | 203 Ų | 203 | 134.4 Ų | 134.4 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -61.1 | 162.3 | 163.8 | -90.2 | 177.8 | 176.1 | -164.6 | -0.6 | 112.9 | T292 | R290-T292 HydrophobicContact CG-CG2 4.24Š| ||
| 291 | F | 34.5 | Very low | 34.9 | Very low | 192 Ų | 192 | 131.4 Ų | 131.4 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | -150.6 | 122.7 | 72.8 | -76.2 | -87.6 | 0 | 0 | 0 | 110.4 | |||||
| 292 | T | 35.1 | Very low | 34.9 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 58% | 0.583 | 78% | 0.779 | S | S | * | * | 54 | 130.2 | 82 | 69.8 | 0 | 0 | 0 | 0 | 113.4 | R290 | R290-T292 HydrophobicContact CG-CG2 4.24Š| |||
| 293 | S | 34.5 | Very low | 34.9 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | cis | -166.6 | 124.8 | 43.2 | 44.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 294 | T | 30.1 | Very low | 35 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | 41.9 | 120.1 | 94.9 | 54 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 295 | I | 36.6 | Very low | 34.9 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | -158.4 | 133.1 | 124 | -93.7 | 153.1 | 0 | 0 | 0 | 109.3 | |||||
| 296 | N | 32.2 | Very low | 34.9 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | trans | -80.7 | 160.3 | 175.3 | -66.8 | -25.4 | 0 | 0 | 0 | 111.2 | ||||
| 297 | G | 33.7 | Very low | 35.1 | Very low | 65 Ų | 65 | 146.8 Ų | 146.8 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | 171.5 | 82.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 298 | T | 36.4 | Very low | 35.1 | Very low | 139 Ų | 139 | 146.4 Ų | 146.4 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | 45.7 | 121.8 | 134.4 | 56.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 299 | R | 28.3 | Very low | 35 | Very low | 228 Ų | 228 | 149.6 Ų | 149.6 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -40.3 | 154.5 | 157.7 | -81.2 | 172.6 | 136.6 | -152.1 | -2.8 | 113.9 | ||||
| 300 | P | 38.1 | Very low | 34.6 | Very low | 106 Ų | 106 | 146.5 Ų | 146.5 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | -127.5 | 151.7 | 114.5 | 35.6 | -28 | 0 | 0 | 0 | 113.5 | Y302 | P300-Y302 HydrophobicContact CB-CE2 4.32Å; P300-Y302 HydrophobicContact CG-CE2 4.36Å | |||
| 301 | N | 34.5 | Very low | 34.2 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | trans | -74.9 | 124.1 | 170.3 | -179.4 | -12.9 | 0 | 0 | 0 | 108.8 | ||||
| 302 | Y | 33.5 | Very low | 34.2 | Very low | 215 Ų | 215 | 138.9 Ų | 138.9 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -134.5 | 124.3 | 157.6 | -80.6 | -77.3 | 0 | 0 | 0 | 109.9 | P300 | P300-Y302 HydrophobicContact CB-CE2 4.32Å; P300-Y302 HydrophobicContact CG-CE2 4.36Å | ||
| 303 | Q | 40.5 | Very low | 34 | Very low | 152 Ų | 152 | 141 Ų | 141 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | trans | -75.6 | 156.9 | 173.9 | -57.3 | -179.8 | -27.4 | 0 | 0 | 110.1 | ||||
| 304 | N | 34.4 | Very low | 34.1 | Very low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | 60.4 | 88.5 | 157.2 | -67.9 | -61.8 | 0 | 0 | 0 | 117.6 | ||||
| 305 | L | 35.4 | Very low | 34.3 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 94% | 0.942 | 78% | 0.784 | S | S | * | * | trans | -146.1 | 118.3 | 143.9 | -77 | 179 | 0 | 0 | 0 | 110.4 | ||||
| 306 | R | 37.5 | Very low | 34.1 | Very low | 203 Ų | 203 | 139 Ų | 139 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -48.9 | 147 | 167.7 | -80 | 173.7 | 158.5 | -166 | -5.1 | 111.5 | I308 | R306-I308 HydrophobicContact CB-CG1 4.05Å; R306-I308 PolarHBondContact O-N 3.19Å; R306-I308 VanDerWaalsContact O-N 3.16Å | ||
| 307 | P | 38.9 | Very low | 34.1 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -77.8 | 93 | 151.3 | 30.3 | -23.6 | 0 | 0 | 0 | 108 | I309 | P307-I309 PolarHBondContact O-N 3.19Š| ||
| 308 | I | 35 | Very low | 34 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 61% | 0.605 | 79% | 0.788 | S | S | * | * | trans | -78.6 | 114.2 | 159.4 | -67.4 | 176.1 | 0 | 0 | 0 | 106 | R306 A310 | R306-I308 HydrophobicContact CB-CG1 4.05Å; R306-I308 PolarHBondContact O-N 3.19Å; R306-I308 VanDerWaalsContact O-N 3.16Å; I308-A310 HydrophobicContact CG2-CB 4.1Å; I308-A310 PolarHBondContact O-N 3.44Å; I308-A310 VanDerWaalsContact O-N 3.13Å | ||
| 309 | I | 32.5 | Very low | 34 | Very low | 173 Ų | 173 | 141 Ų | 141 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -69.2 | 102.1 | 166.8 | -60.9 | 168.5 | 0 | 0 | 0 | 106 | P307 | P307-I309 PolarHBondContact O-N 3.19Š| ||
| 310 | A | 29.9 | Very low | 34.2 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 59% | 0.587 | 78% | 0.782 | S | S | * | * | trans | -138.6 | 116.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | I308 | I308-A310 HydrophobicContact CG2-CB 4.1Å; I308-A310 PolarHBondContact O-N 3.44Å; I308-A310 VanDerWaalsContact O-N 3.13Å | ||
| 311 | S | 27.8 | Very low | 34.1 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 55.8 | 112.3 | 136.9 | -47.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 312 | S | 34 | Very low | 34.1 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -147.1 | 93.6 | 140.4 | 53.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 313 | T | 31.2 | Very low | 34.1 | Very low | 140 Ų | 140 | 133 Ų | 133 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | trans | -67.2 | 127.1 | 155.9 | 43.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 314 | S | 35.2 | Very low | 34 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -132.2 | 135.1 | 164.5 | -80.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 315 | A | 35.1 | Very low | 34.1 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | -77.2 | 161.6 | -159.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 316 | T | 31.4 | Very low | 34 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | -51 | 134.6 | 160.9 | 24.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 317 | L | 32.6 | Very low | 34 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -121.1 | 107.7 | 147.6 | -76.9 | 173.7 | 0 | 0 | 0 | 107.3 | ||||
| 318 | G | 32.7 | Very low | 33.8 | Very low | 73 Ų | 73 | 128.5 Ų | 128.5 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -78.3 | 138.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 319 | I | 35.6 | Very low | 33.8 | Very low | 163 Ų | 163 | 126.3 Ų | 126.3 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -118.9 | 112.3 | 156.8 | -55.5 | -179.6 | 0 | 0 | 0 | 105.6 | ||||
| 320 | N | 32.4 | Very low | 33.9 | Very low | 142 Ų | 142 | 125.3 Ų | 125.3 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | -81.5 | 124.2 | 171.4 | -160.6 | -54.7 | 0 | 0 | 0 | 107.1 | ||||
| 321 | L | 36.1 | Very low | 33.9 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | -134.9 | 84.9 | 163.1 | -154.1 | 72.3 | 0 | 0 | 0 | 108.2 | ||||
| 322 | A | 34 | Very low | 34.2 | Very low | 70 Ų | 70 | 126.7 Ų | 126.7 | 58% | 0.579 | 81% | 0.813 | S | S | * | * | trans | -70.9 | 155.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 323 | S | 34.7 | Very low | 34.2 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | 72.9 | 87.5 | 162.3 | -71.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 324 | I | 38.6 | Very low | 34.5 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -138.1 | 110.4 | 131.7 | -50.9 | -179.7 | 0 | 0 | 0 | 108.1 | ||||
| 325 | K | 35.1 | Very low | 34.8 | Very low | 197 Ų | 197 | 124.5 Ų | 124.5 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -86.4 | 151.1 | 170.5 | -81.8 | 177.5 | 173.7 | 178.3 | 0 | 109.7 | ||||
| 326 | S | 33 | Very low | 35.1 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | 74 | 128 | 155 | -160.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 327 | V | 38.2 | Very low | 35.4 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | -160.3 | 132.4 | 54.3 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 328 | A | 34.6 | Very low | 35.5 | Very low | 96 Ų | 96 | 126 Ų | 126 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | trans | 37.8 | 136.3 | 144.8 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 329 | G | 35.1 | Very low | 35.6 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 89 | 126.3 | 142.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 330 | V | 34.3 | Very low | 35.4 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | cis | -152.5 | 139.5 | 26.6 | 173.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 331 | S | 30.6 | Very low | 35.8 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -103 | 140.7 | -177.6 | -173.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 332 | A | 33.4 | Very low | 35.7 | Very low | 108 Ų | 108 | 130 Ų | 130 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -139.2 | 102.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 333 | S | 34.4 | Very low | 35.6 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -111.2 | 129.9 | 173.9 | 148.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 334 | V | 38.5 | Very low | 35.7 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -109.8 | 125.3 | 170.4 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 335 | P | 40.5 | Very low | 35.6 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 60% | 0.604 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 157 | -177.3 | 36.4 | -32.9 | 0 | 0 | 0 | 112 | ||
| 336 | P | 40.7 | Very low | 35.5 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 125.9 | 164.6 | 32.8 | -26 | 0 | 0 | 0 | 110.4 | ||
| 337 | I | 38.4 | Very low | 35.5 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 126.9 | 176.1 | -73.4 | 172.6 | 0 | 0 | 0 | 110.3 | ||
| 338 | I | 34.4 | Very low | 35.5 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 80% | 0.795 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 134.5 | 168.7 | -62.8 | 163 | 0 | 0 | 0 | 109.6 | ||
| 339 | R | 34.2 | Very low | 35.4 | Very low | 228 Ų | 228 | 132.8 Ų | 132.8 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -145.8 | 103.4 | 156.2 | -172 | 165.9 | -78 | -179.3 | -3.6 | 111.6 | ||||
| 340 | A | 32.7 | Very low | 35.7 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | trans | -71.8 | 152.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 341 | K | 40.6 | Very low | 35.8 | Very low | 202 Ų | 202 | 131.5 Ų | 131.5 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | trans | -163 | 112.3 | 147.3 | -105.4 | 170.6 | -174 | -167.8 | 0 | 111 | ||||
| 342 | S | 34.7 | Very low | 36.2 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -44.7 | 142.6 | 151.2 | -177.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 343 | G | 30.1 | Very low | 36.2 | Very low | 59 Ų | 59 | 137.1 Ų | 137.1 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | cis | 107.3 | 109.8 | 38.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 344 | Y | 38.3 | Very low | 36.3 | Very low | 225 Ų | 225 | 137.9 Ų | 137.9 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | 170.7 | 113.9 | 140.6 | -107.8 | -102.1 | 0 | 0 | 0 | 111.6 | ||||
| 345 | V | 36.9 | Very low | 35.9 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | 20 | 121.7 | 146.4 | -84.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 346 | N | 31 | Very low | 35.7 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | 84.6 | 120.5 | 94.3 | -136.4 | 37.3 | 0 | 0 | 0 | 110.4 | |||||
| 347 | T | 33.2 | Very low | 35.2 | Very low | 92 Ų | 92 | 141 Ų | 141 | 56% | 0.564 | 78% | 0.783 | S | S | * | * | 162.9 | 139.2 | 86.6 | -69 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 348 | Y | 38 | Very low | 35.1 | Very low | 210 Ų | 210 | 139.2 Ų | 139.2 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 62.4 | 112 | 157.1 | -57.2 | -47.1 | 0 | 0 | 0 | 125.4 | ||||
| 349 | S | 34 | Very low | 35.3 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -8.3 | 178.3 | 138 | -44.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 350 | P | 40 | Very low | 35.3 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | -134.4 | 165.8 | -58.8 | 38.3 | -21.6 | 0 | 0 | 0 | 112.5 | |||||
| 351 | G | 36.4 | Very low | 35.4 | Very low | 68 Ų | 68 | 135.6 Ų | 135.6 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | 163.6 | 115.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 352 | I | 39 | Very low | 35.4 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 91% | 0.908 | 78% | 0.777 | S | S | * | * | trans | 74.9 | 122.3 | 139.1 | -45 | 177.3 | 0 | 0 | 0 | 119 | ||||
| 353 | L | 33.7 | Very low | 35.6 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -68.5 | -177.8 | 176.7 | -61.4 | 170.3 | 0 | 0 | 0 | 113.9 | ||||
| 354 | P | 37 | Very low | 36 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | cis | -132.6 | 175.3 | -23.4 | 23.2 | 0.8 | 0 | 0 | 0 | 114.9 | ||||
| 355 | A | 29.1 | Very low | 36 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | 66.3 | 97.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 356 | V | 37.2 | Very low | 36 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 90% | 0.903 | 80% | 0.796 | S | S | * | * | trans | -147.6 | 136.7 | 143 | -179 | 0 | 0 | 0 | 0 | 110 | ||||
| 357 | H | 30.7 | Very low | 36.6 | Very low | 182 Ų | 182 | 136 Ų | 136 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -36.2 | 133.8 | 171.3 | -84.8 | -150.6 | 0 | 0 | 0 | 116.4 | ||||
| 358 | S | 36.6 | Very low | 36.9 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -169.5 | 108.7 | 134.3 | -93.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 359 | K | 38.3 | Very low | 36.9 | Very low | 196 Ų | 196 | 132.1 Ų | 132.1 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | 36.4 | 123.1 | 124.7 | -107.3 | -172.3 | 171.1 | 169 | 0 | 120.8 | |||||
| 360 | V | 32.9 | Very low | 37.1 | Very low | 138 Ų | 138 | 132 Ų | 132 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | 76.4 | 122.8 | 139.4 | -166 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 361 | G | 35.6 | Very low | 37 | Very low | 57 Ų | 57 | 132.4 Ų | 132.4 | 59% | 0.588 | 80% | 0.803 | S | S | * | * | trans | 162.4 | 37.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117 | N363 | G361-N363 PolarHBondContact O-N 3.05Š| ||
| 362 | S | 41.4 | Very low | 37.2 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -75.9 | 105.6 | 169 | 29.6 | 0 | 0 | 0 | 0 | 110.2 | L364 | S362-L364 PolarHBondContact O-N 3.13Š| ||
| 363 | N | 39.1 | Very low | 37.2 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -69 | 92.7 | 172 | -67.4 | -44 | 0 | 0 | 0 | 110.3 | G361 | G361-N363 PolarHBondContact O-N 3.05Š| ||
| 364 | L | 37.9 | Very low | 37.6 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -103.6 | 108.7 | 163.4 | -76 | 172 | 0 | 0 | 0 | 108.8 | S362 S366 | S362-L364 PolarHBondContact O-N 3.13Å; L364-S366 PolarHBondContact O-N 3.3Å | ||
| 365 | L | 37.9 | Very low | 37.7 | Very low | 172 Ų | 172 | 137 Ų | 137 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -67.7 | 96.9 | 168.8 | -73.6 | 159.4 | 0 | 0 | 0 | 108.4 | ||||
| 366 | S | 37.7 | Very low | 38 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -90.9 | 112.7 | 168.9 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | L364 | L364-S366 PolarHBondContact O-N 3.3Š| ||
| 367 | L | 42.8 | Very low | 38.4 | Very low | 148 Ų | 148 | 134 Ų | 134 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -116.3 | 101.1 | 168.3 | -76.3 | 163.4 | 0 | 0 | 0 | 107.5 | ||||
| 368 | N | 40 | Very low | 38.6 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 71.4 | 96 | 149.2 | -51.1 | 4.5 | 0 | 0 | 0 | 117.2 | ||
| 369 | G | 37 | Very low | 39 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 100.3 | 119.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 370 | S | 37.9 | Very low | 39 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 85.7 | 84.4 | 172.4 | -55.7 | 0 | 0 | 0 | 0 | 116.7 | V372 | S370-V372 PolarHBondContact O-N 3.47Š| ||
| 371 | T | 37.8 | Very low | 39.2 | Very low | 138 Ų | 138 | 139.4 Ų | 139.4 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -66.7 | 112 | 156.8 | 53.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 372 | V | 41.1 | Very low | 39.4 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | trans | -110.3 | 114.6 | 159 | 175.1 | 0 | 0 | 0 | 0 | 106.8 | S370 I374 | S370-V372 PolarHBondContact O-N 3.47Å; V372-I374 PolarHBondContact O-N 3.11Å | ||
| 373 | L | 38.6 | Very low | 39.3 | Very low | 160 Ų | 160 | 144 Ų | 144 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -65 | 122.2 | 172.4 | -61 | 169.7 | 0 | 0 | 0 | 108.1 | ||||
| 374 | I | 43.6 | Very low | 39.4 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -112.9 | 90.3 | 160.4 | -59.5 | -176.9 | 0 | 0 | 0 | 105.7 | V372 G376 | V372-I374 PolarHBondContact O-N 3.11Å; I374-G376 PolarHBondContact O-N 3.13Å | ||
| 375 | E | 39.1 | Very low | 39.3 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -76 | 108.8 | 168.1 | -177.7 | 166 | -176 | 0 | 0 | 107.8 | V377 | E375-V377 HydrophobicContact CG-CG2 4.04Š| ||
| 376 | G | 34.4 | Very low | 39.3 | Very low | 75 Ų | 75 | 142.4 Ų | 142.4 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -82.9 | 111.1 | 168 | 0 | 0 | 0 | 0 | 0 | 109.2 | I374 | I374-G376 PolarHBondContact O-N 3.13Š| ||
| 377 | V | 45.9 | Very low | 39.5 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 63% | 0.63 | 78% | 0.784 | S | S | * | * | trans | -130 | 105.8 | 162.5 | -178.4 | 0 | 0 | 0 | 0 | 109 | E375 | E375-V377 HydrophobicContact CG-CG2 4.04Š| ||
| 378 | D | 35.7 | Very low | 39 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | -56.7 | 122.7 | 162.6 | -150.9 | -45.2 | 0 | 0 | 0 | 110 | ||||
| 379 | R | 43.5 | Very low | 39 | Very low | 226 Ų | 226 | 143 Ų | 143 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -172.7 | 100.3 | 158.4 | -104.8 | 159.7 | -166.9 | -151.7 | 4.4 | 113.1 | ||||
| 380 | K | 40.1 | Very low | 39.2 | Very low | 195 Ų | 195 | 145.6 Ų | 145.6 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | 40.5 | 105.8 | 133.8 | -62.5 | -173 | 175.7 | -172.9 | 0 | 119.7 | ||||
| 381 | Q | 36.4 | Very low | 39.5 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | 33.1 | 108.6 | 116.2 | -166.4 | 123.5 | 9.9 | 0 | 0 | 118.8 | |||||
| 382 | N | 39.1 | Very low | 39.9 | Very low | 131 Ų | 131 | 151.4 Ų | 151.4 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | 171 | 153.1 | 119.8 | -94.2 | -9.9 | 0 | 0 | 0 | 112.7 | |||||
| 383 | D | 40.4 | Very low | 40.2 | Very low | 135 Ų | 135 | 153.4 Ų | 153.4 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 82.3 | 96 | 162.3 | -54.9 | -27.8 | 0 | 0 | 0 | 118.1 | ||||
| 384 | L | 40.9 | Very low | 40.8 | Very low | 150 Ų | 150 | 151.1 Ų | 151.1 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | 83.1 | 117.6 | 77.8 | -99.1 | 146.9 | 0 | 0 | 0 | 113.8 | |||||
| 385 | S | 35.3 | Very low | 40.8 | Very low | 96 Ų | 96 | 149.3 Ų | 149.3 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | 60.8 | 107.2 | 148.9 | 61.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 386 | F | 38.1 | Very low | 40.9 | Very low | 211 Ų | 211 | 149.9 Ų | 149.9 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | -153.1 | 116.5 | 113 | -129.7 | -99.4 | 0 | 0 | 0 | 109.5 | |||||
| 387 | L | 41.9 | Very low | 41.1 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | -76.7 | 151.5 | 174.6 | -85.9 | 160.4 | 0 | 0 | 0 | 110.2 | ||||
| 388 | S | 33.3 | Very low | 41.1 | Very low | 102 Ų | 102 | 151.3 Ų | 151.3 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 98.5 | 128 | 153.9 | -55.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 389 | D | 39.1 | Very low | 41.6 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | 99.8 | 128.9 | 151.5 | -63.4 | -38.2 | 0 | 0 | 0 | 120.2 | ||||
| 390 | D | 40.5 | Very low | 42 | Very low | 127 Ų | 127 | 148 Ų | 148 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | trans | 81 | 97.7 | 171.6 | -103.7 | -25.4 | 0 | 0 | 0 | 119.3 | R392 | D390-R392 PolarHBondContact O-N 2.97Å; D390-R392 IonicContact OD2-NH1 3.42Å; D390-R392 PolarHBondContact OD2-NH1 3.27Å | ||
| 391 | I | 45.8 | Very low | 42.8 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -65.2 | 78.8 | 158.5 | -58.5 | 168.4 | 0 | 0 | 0 | 107.3 | ||||
| 392 | R | 44.4 | Very low | 44.3 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -105.9 | 118.9 | 166.3 | -120.1 | 180 | -173.6 | 100.1 | -2.2 | 108 | D390 | D390-R392 PolarHBondContact O-N 2.97Å; D390-R392 IonicContact OD2-NH1 3.42Å; D390-R392 PolarHBondContact OD2-NH1 3.27Å | ||
| 393 | H | 48.3 | Very low | 45.7 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | trans | -36.5 | 133.8 | 170.2 | -61 | -83.3 | 0 | 0 | 0 | 111.3 | P395 | H393-P395 WeakPolarHBondContact O-CD 3.41Å; H393-P395 VanDerWaalsContact O-N 3.13Å | ||
| 394 | P | 51.7 | Low | 47.5 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | -59 | 124.7 | 172.9 | 25.7 | -30.5 | 0 | 0 | 0 | 107 | M396 | P394-M396 PolarHBondContact O-N 2.88Š| ||
| 395 | P | 44 | Very low | 49.3 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | trans | -60 | 120.1 | 179.3 | 24.3 | -31.6 | 0 | 0 | 0 | 107.2 | H393 S397 | H393-P395 WeakPolarHBondContact O-CD 3.41Å; H393-P395 VanDerWaalsContact O-N 3.13Å; P395-S397 PolarHBondContact O-N 3.16Å | ||
| 396 | M | 39.4 | Very low | 51.5 | Low | 181 Ų | 181 | 133 Ų | 133 | 89% | 0.892 | 70% | 0.695 | S | S | * | * | trans | -48.7 | 111.4 | 169.9 | -67 | 173 | 62.3 | 0 | 0 | 107.1 | P394 P398 | P394-M396 PolarHBondContact O-N 2.88Å; M396-P398 WeakPolarHBondContact O-CD 3.44Å | ||
| 397 | S | 40.3 | Very low | 53.5 | Low | 81 Ų | 81 | 124.1 Ų | 124.1 | 57% | 0.566 | 66% | 0.659 | S | S | * | * | trans | -55.5 | 120.5 | 173.6 | 52 | 0 | 0 | 0 | 0 | 108.1 | P395 T399 | P395-S397 PolarHBondContact O-N 3.16Å; S397-T399 PolarHBondContact O-N 3.5Å | ||
| 398 | P | 44.4 | Very low | 55.2 | Low | 129 Ų | 129 | 122.7 Ų | 122.7 | 84% | 0.838 | 65% | 0.649 | S | S | * | * | trans | -78.3 | 64 | 174.5 | 33.9 | -32.3 | 0 | 0 | 0 | 107.8 | M396 R400 | M396-P398 WeakPolarHBondContact O-CD 3.44Å; P398-R400 PolarHBondContact O-N 2.92Å | ||
| 399 | T | 47.7 | Very low | 57.5 | Low | 116 Ų | 116 | 124.2 Ų | 124.2 | 71% | 0.712 | 64% | 0.642 | S | S | * | * | trans | -82.7 | 83.9 | 172.6 | 49.5 | 0 | 0 | 0 | 0 | 108.1 | S397 | S397-T399 PolarHBondContact O-N 3.5Š| ||
| 400 | R | 50.3 | Low | 59.5 | Low | 190 Ų | 190 | 117 Ų | 117 | 72% | 0.717 | 61% | 0.605 | S | S | * | * | trans | 69.3 | 99.6 | 155.5 | -65.8 | -178.9 | 162.9 | 161.7 | -4.3 | 116.6 | P398 N402 | P398-R400 PolarHBondContact O-N 2.92Å; R400-N402 HydrophobicContact CB-CB 4.16Å; R400-N402 PolarHBondContact O-N 3.17Å | ||
| 401 | D | 57 | Low | 61.5 | Low | 161 Ų | 161 | 114.6 Ų | 114.6 | 86% | 0.861 | 59% | 0.588 | S | S | * | * | trans | -61 | 42.7 | 150.8 | -70.3 | -45.6 | 0 | 0 | 0 | 112.2 | P403 | D401-P403 WeakPolarHBondContact O-CD 3.44Š| ||
| 402 | N | 68 | Low | 63.3 | Low | 118 Ų | 118 | 112.6 Ų | 112.6 | 63% | 0.631 | 58% | 0.575 | S | S | * | * | trans | -83 | 120.5 | 171.6 | -86.4 | 46.9 | 0 | 0 | 0 | 107.6 | R400 | R400-N402 HydrophobicContact CB-CB 4.16Å; R400-N402 PolarHBondContact O-N 3.17Å | ||
| 403 | P | 69.1 | Low | 65.1 | Low | 22 Ų | 22 | 107.9 Ų | 107.9 | 14% | 0.143 | 56% | 0.563 | C | S | . | * | trans | -58.5 | 143.4 | 176.5 | 22.5 | -31.3 | 0 | 0 | 0 | 110.8 | D401 F405 V428 A431 | D401-P403 WeakPolarHBondContact O-CD 3.44Å; P403-F405 WeakPolarHBondContact CB-O 3.4Å; P403-F405 WeakPolarHBondContact CG-O 3.47Å; P403-F405 CarbonylContact O-C 3.55Å; P403-F405 PolarHBondContact O-N 3.05Å; P403-F405 VanDerWaalsContact O-N 3.14Å; P403-V428 HydrophobicContact CG-CG1 4.41Å; P403-A431 HydrophobicContact CB-CB 3.38Å; P403-A431 HydrophobicContact CG-CB 3.79Å | ||
| 404 | F | 77.1 | Confident | 66.7 | Low | 142 Ų | 142 | 101.3 Ų | 101.3 | 62% | 0.623 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -55.1 | -31.9 | 175.5 | 174.8 | -99.1 | 0 | 0 | 0 | 112 | Q435 | F404-Q435 HydrophobicContact CB-CB 4.28Å; F404-Q435 HydrophobicContact CB-CG 3.79Å |
| 405 | F | 79.6 | Confident | 68.3 | Low | 55 Ų | 55 | 100.9 Ų | 100.9 | 24% | 0.241 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -89.4 | 123.5 | 170.3 | -67.5 | -71.3 | 0 | 0 | 0 | 109.8 | P403 S407 V410 A431 L434 I438 | P403-F405 WeakPolarHBondContact CB-O 3.4Å; P403-F405 WeakPolarHBondContact CG-O 3.47Å; P403-F405 CarbonylContact O-C 3.55Å; P403-F405 PolarHBondContact O-N 3.05Å; P403-F405 VanDerWaalsContact O-N 3.14Å; F405-S407 PolarHBondContact O-N 3.31Å; F405-V410 HydrophobicContact CB-CG2 4.12Å; F405-A431 HydrophobicContact CB-CB 4.12Å; F405-L434 HydrophobicContact CD2-CB 3.69Å; F405-L434 HydrophobicContact CD2-CD1 4.49Å; F405-L434 HydrophobicContact CE2-CB 3.71Å; F405-I438 HydrophobicContact CE2-CD1 3.72Å; F405-I438 HydrophobicContact CZ-CD1 3.32Å |
| 406 | P | 81.3 | Confident | 70.2 | Confident | 71 Ų | 71 | 99.3 Ų | 99.3 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | trans | -55.1 | 124.8 | 172.8 | -23.3 | 32.9 | 0 | 0 | 0 | 110.1 | E408 K409 V410 | P406-E408 PolarHBondContact O-N 3.06Å; P406-K409 HydrophobicContact CB-CG 4.36Å; P406-K409 HydrophobicContact CG-CD 4.44Å; P406-K409 PolarHBondContact O-N 2.89Å; P406-K409 VanDerWaalsContact O-N 3.1Å; P406-V410 PolarHBondContact O-N 3.18Å | ||
| 407 | S | 79.6 | Confident | 72.2 | Confident | 25 Ų | 25 | 97.4 Ų | 97.4 | 18% | 0.175 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -56.7 | -35.6 | 179.5 | 49.6 | 0 | 0 | 0 | 0 | 111.5 | F405 K409 V410 K411 E424 | F405-S407 PolarHBondContact O-N 3.31Å; S407-K409 PolarHBondContact O-N 2.97Å; S407-V410 PolarHBondContact O-N 3.48Å; S407-V410 VanDerWaalsContact O-N 3.15Å; S407-K411 WeakPolarHBondContact O-CB 3.22Å; S407-K411 PolarHBondContact O-N 3.45Å; S407-E424 WeakPolarHBondContact CB-OE1 3.45Å; S407-E424 PolarHBondContact OG-OE1 3.42Å |
| 408 | E | 78.4 | Confident | 74.2 | Confident | 127 Ų | 127 | 96.2 Ų | 96.2 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.3 | -42.1 | 176.2 | -56.9 | -58.9 | 167.1 | 0 | 0 | 113.5 | P406 K411 E412 | P406-E408 PolarHBondContact O-N 3.06Å; E408-K411 WeakPolarHBondContact O-CB 3.49Å; E408-K411 PolarHBondContact O-N 3.04Å; E408-E412 WeakPolarHBondContact O-CB 3.23Å; E408-E412 PolarHBondContact O-N 3.17Å |
| 409 | K | 81.1 | Confident | 75.8 | Confident | 133 Ų | 133 | 94.2 Ų | 94.2 | 58% | 0.578 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -71.6 | -36.7 | 178.2 | -72.1 | -169.5 | 175.5 | -173.7 | 0 | 111.6 | P406 S407 K411 I413 | P406-K409 HydrophobicContact CB-CG 4.36Å; P406-K409 HydrophobicContact CG-CD 4.44Å; P406-K409 PolarHBondContact O-N 2.89Å; P406-K409 VanDerWaalsContact O-N 3.1Å; S407-K409 PolarHBondContact O-N 2.97Å; K409-K411 VanDerWaalsContact C-N 3.3Å; K409-I413 WeakPolarHBondContact O-CD1 3.5Å; K409-I413 VanDerWaalsContact O-CG1 3.22Å; K409-I413 WeakPolarHBondContact O-CG1 3.44Å; K409-I413 PolarHBondContact O-N 3.17Å; K409-I413 VanDerWaalsContact O-N 3.07Å |
| 410 | V | 81.1 | Confident | 77 | Confident | 12 Ų | 12 | 97.4 Ų | 97.4 | 7% | 0.073 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 175.1 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | F405 P406 S407 I413 L414 I427 L430 A431 | F405-V410 HydrophobicContact CB-CG2 4.12Å; P406-V410 PolarHBondContact O-N 3.18Å; S407-V410 PolarHBondContact O-N 3.48Å; S407-V410 VanDerWaalsContact O-N 3.15Å; V410-I413 PolarHBondContact O-N 2.75Å; V410-L414 HydrophobicContact CG1-CD1 3.96Å; V410-L414 WeakPolarHBondContact O-CD1 3.27Å; V410-L414 PolarHBondContact O-N 3.19Å; V410-I427 HydrophobicContact CB-CG2 4.03Å; V410-I427 HydrophobicContact CG1-CG2 3.97Å; V410-L430 HydrophobicContact CG1-CD2 3.73Å; V410-L430 HydrophobicContact CG1-CG 4.27Å; V410-A431 HydrophobicContact CG2-CB 4.25Å |
| 411 | K | 82.5 | Confident | 78.2 | Confident | 75 Ų | 75 | 94.9 Ų | 94.9 | 33% | 0.326 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 175.5 | -170.9 | 177.2 | 174.9 | -177.3 | 0 | 112.5 | S407 E408 K409 I413 L414 E415 I427 | S407-K411 WeakPolarHBondContact O-CB 3.22Å; S407-K411 PolarHBondContact O-N 3.45Å; E408-K411 WeakPolarHBondContact O-CB 3.49Å; E408-K411 PolarHBondContact O-N 3.04Å; K409-K411 VanDerWaalsContact C-N 3.3Å; K411-I413 VanDerWaalsContact C-N 3.29Å; K411-I413 PolarHBondContact O-N 3.01Å; K411-L414 PolarHBondContact O-N 3.43Å; K411-E415 WeakPolarHBondContact CE-OE1 3.33Å; K411-E415 HydrophobicContact CG-CG 4.42Å; K411-E415 WeakPolarHBondContact O-CB 3.37Å; K411-E415 WeakPolarHBondContact O-CG 3.09Å; K411-E415 PolarHBondContact O-N 2.9Å; K411-I427 HydrophobicContact CB-CD1 4.09Å; K411-I427 HydrophobicContact CD-CD1 4.21Å; K411-I427 HydrophobicContact CG-CD1 3.99Å |
| 412 | E | 83.2 | Confident | 79.2 | Confident | 131 Ų | 131 | 90.5 Ų | 90.5 | 61% | 0.612 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -55.5 | -44.4 | 176.3 | -176.3 | -174.2 | 176.7 | 0 | 0 | 111.5 | E408 E415 S416 | E408-E412 WeakPolarHBondContact O-CB 3.23Å; E408-E412 PolarHBondContact O-N 3.17Å; E412-E415 PolarHBondContact O-N 3.28Å; E412-S416 WeakPolarHBondContact O-CB 3.49Å; E412-S416 PolarHBondContact O-N 3.2Å |
| 413 | I | 83.1 | Confident | 79.9 | Confident | 96 Ų | 96 | 89 Ų | 89 | 49% | 0.492 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 176.7 | -65.3 | 165.2 | 0 | 0 | 0 | 110.5 | K409 V410 K411 S416 H417 | K409-I413 WeakPolarHBondContact O-CD1 3.5Å; K409-I413 VanDerWaalsContact O-CG1 3.22Å; K409-I413 WeakPolarHBondContact O-CG1 3.44Å; K409-I413 PolarHBondContact O-N 3.17Å; K409-I413 VanDerWaalsContact O-N 3.07Å; V410-I413 PolarHBondContact O-N 2.75Å; K411-I413 VanDerWaalsContact C-N 3.29Å; K411-I413 PolarHBondContact O-N 3.01Å; I413-S416 PolarHBondContact O-N 3.39Å; I413-S416 PolarHBondContact O-OG 3.05Å; I413-H417 PolarHBondContact O-N 2.69Å; I413-H417 PolarHBondContact O-ND1 2.88Å |
| 414 | L | 82.4 | Confident | 80.6 | Confident | 27 Ų | 27 | 92.1 Ų | 92.1 | 14% | 0.141 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 178.3 | -95.1 | 66.3 | 0 | 0 | 0 | 112.3 | V410 K411 H417 G418 I419 L422 L430 | V410-L414 HydrophobicContact CG1-CD1 3.96Å; V410-L414 WeakPolarHBondContact O-CD1 3.27Å; V410-L414 PolarHBondContact O-N 3.19Å; K411-L414 PolarHBondContact O-N 3.43Å; L414-H417 CarbonylContact O-C 3.47Å; L414-H417 PolarHBondContact O-N 3.26Å; L414-G418 PolarHBondContact O-N 3.4Å; L414-I419 HydrophobicContact CB-CB 4.47Å; L414-I419 PolarHBondContact O-N 3.13Å; L414-L422 HydrophobicContact CD2-CD2 3.38Å; L414-L430 HydrophobicContact CD1-CD2 3.97Å; L414-L430 HydrophobicContact CD2-CD2 4.27Å |
| 415 | E | 84 | Confident | 81.1 | Confident | 104 Ų | 104 | 92.8 Ų | 92.8 | 49% | 0.486 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 175.3 | -73.9 | 178.9 | -174.7 | 0 | 0 | 111.4 | K411 E412 H417 G418 | K411-E415 WeakPolarHBondContact CE-OE1 3.33Å; K411-E415 HydrophobicContact CG-CG 4.42Å; K411-E415 WeakPolarHBondContact O-CB 3.37Å; K411-E415 WeakPolarHBondContact O-CG 3.09Å; K411-E415 PolarHBondContact O-N 2.9Å; E412-E415 PolarHBondContact O-N 3.28Å; E415-H417 PolarHBondContact O-N 3Å; E415-G418 PolarHBondContact O-N 3.08Å |
| 416 | S | 85.2 | Confident | 81.5 | Confident | 90 Ų | 90 | 92.4 Ų | 92.4 | 63% | 0.629 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -26.1 | 174.6 | 74.9 | 0 | 0 | 0 | 0 | 113.3 | E412 I413 | E412-S416 WeakPolarHBondContact O-CB 3.49Å; E412-S416 PolarHBondContact O-N 3.2Å; I413-S416 PolarHBondContact O-N 3.39Å; I413-S416 PolarHBondContact O-OG 3.05Å |
| 417 | H | 81.1 | Confident | 81.8 | Confident | 141 Ų | 141 | 89.2 Ų | 89.2 | 65% | 0.653 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 10 | 176 | -67.8 | 77.1 | 0 | 0 | 0 | 113.1 | I413 L414 E415 | I413-H417 PolarHBondContact O-N 2.69Å; I413-H417 PolarHBondContact O-ND1 2.88Å; L414-H417 CarbonylContact O-C 3.47Å; L414-H417 PolarHBondContact O-N 3.26Å; E415-H417 PolarHBondContact O-N 3Å |
| 418 | G | 81.6 | Confident | 82.2 | Confident | 56 Ų | 56 | 90.4 Ų | 90.4 | 58% | 0.577 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 10 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L414 E415 | L414-G418 PolarHBondContact O-N 3.4Å; E415-G418 PolarHBondContact O-N 3.08Å |
| 419 | I | 77.4 | Confident | 82.7 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 45% | 0.446 | 47% | 0.471 | S | S | . | . | trans | -95.7 | 98.5 | -178.8 | -54.2 | 171.9 | 0 | 0 | 0 | 108.9 | L414 | L414-I419 HydrophobicContact CB-CB 4.47Å; L414-I419 PolarHBondContact O-N 3.13Å | ||
| 420 | K | 73.4 | Confident | 83.1 | Confident | 182 Ų | 182 | 85.2 Ų | 85.2 | 79% | 0.791 | 46% | 0.461 | S | S | * | . | trans | -98.6 | -8.6 | -174.4 | -64 | -178.6 | -179.5 | 179.7 | 0 | 115.2 | ||||
| 421 | T | 76.6 | Confident | 83.4 | Confident | 137 Ų | 137 | 84.7 Ų | 84.7 | 84% | 0.84 | 46% | 0.458 | S | S | * | . | trans | -118.2 | 33.7 | -164.4 | 60.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 422 | L | 77.3 | Confident | 83.7 | Confident | 70 Ų | 70 | 85.6 Ų | 85.6 | 37% | 0.366 | 46% | 0.463 | S | S | . | . | trans | -97 | 129.9 | -179.4 | -164.2 | 61 | 0 | 0 | 0 | 111.1 | L414 S426 I427 | L414-L422 HydrophobicContact CD2-CD2 3.38Å; L422-S426 VanDerWaalsContact CD1-CB 3.42Å; L422-I427 HydrophobicContact CB-CG1 4.35Å; L422-I427 HydrophobicContact CD2-CG1 3.86Å; L422-I427 HydrophobicContact CG-CG1 4.1Å | ||
| 423 | T | 83.4 | Confident | 84.1 | Confident | 87 Ų | 87 | 81.1 Ų | 81.1 | 53% | 0.534 | 45% | 0.452 | S | S | . | . | trans | -63.8 | 146.6 | 176.4 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | E425 S426 I427 | T423-E425 PolarHBondContact O-N 2.77Å; T423-S426 WeakPolarHBondContact O-CA 3.4Å; T423-S426 WeakPolarHBondContact O-CB 3.31Å; T423-S426 PolarHBondContact O-N 3.28Å; T423-S426 WeakPolarHBondContact OG1-CB 3.49Å; T423-S426 PolarHBondContact OG1-OG 3.13Å; T423-I427 PolarHBondContact O-N 3.36Å; T423-I427 VanDerWaalsContact O-N 3.14Å | ||
| 424 | E | 83.9 | Confident | 84.5 | Confident | 86 Ų | 86 | 79.8 Ų | 79.8 | 40% | 0.402 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -56.8 | -38.6 | -179.9 | -173.2 | 59.7 | -152.9 | 0 | 0 | 111.7 | S407 S426 I427 V428 | S407-E424 WeakPolarHBondContact CB-OE1 3.45Å; S407-E424 PolarHBondContact OG-OE1 3.42Å; E424-S426 VanDerWaalsContact C-N 3.27Å; E424-S426 PolarHBondContact O-N 3.07Å; E424-I427 WeakPolarHBondContact O-CB 3.41Å; E424-I427 PolarHBondContact O-N 3.35Å; E424-I427 VanDerWaalsContact O-N 3.09Å; E424-V428 WeakPolarHBondContact O-CG2 3.39Å; E424-V428 PolarHBondContact O-N 3.23Å |
| 425 | E | 86.1 | Confident | 84.9 | Confident | 157 Ų | 157 | 80.2 Ų | 80.2 | 73% | 0.734 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60 | -35.8 | 175.4 | -63 | -171.7 | 160.8 | 0 | 0 | 113 | T423 S429 | T423-E425 PolarHBondContact O-N 2.77Å; E425-S429 VanDerWaalsContact O-CB 3.3Å; E425-S429 WeakPolarHBondContact O-CB 3.36Å; E425-S429 PolarHBondContact O-N 3.42Å; E425-S429 PolarHBondContact O-OG 3.37Å |
| 426 | S | 89.2 | Confident | 85.2 | Confident | 46 Ų | 46 | 79.5 Ų | 79.5 | 32% | 0.322 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -71.9 | -35.2 | 176.6 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | L422 T423 E424 S429 L430 | L422-S426 VanDerWaalsContact CD1-CB 3.42Å; T423-S426 WeakPolarHBondContact O-CA 3.4Å; T423-S426 WeakPolarHBondContact O-CB 3.31Å; T423-S426 PolarHBondContact O-N 3.28Å; T423-S426 WeakPolarHBondContact OG1-CB 3.49Å; T423-S426 PolarHBondContact OG1-OG 3.13Å; E424-S426 VanDerWaalsContact C-N 3.27Å; E424-S426 PolarHBondContact O-N 3.07Å; S426-S429 PolarHBondContact O-N 2.67Å; S426-L430 WeakPolarHBondContact O-CB 3.37Å; S426-L430 PolarHBondContact O-N 3.35Å |
| 427 | I | 86.7 | Confident | 85.6 | Confident | 5 Ų | 5 | 81.6 Ų | 81.6 | 3% | 0.026 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 174.9 | -62.9 | 171.6 | 0 | 0 | 0 | 110 | V410 K411 L422 T423 E424 S429 L430 A431 | V410-I427 HydrophobicContact CB-CG2 4.03Å; V410-I427 HydrophobicContact CG1-CG2 3.97Å; K411-I427 HydrophobicContact CB-CD1 4.09Å; K411-I427 HydrophobicContact CD-CD1 4.21Å; K411-I427 HydrophobicContact CG-CD1 3.99Å; L422-I427 HydrophobicContact CB-CG1 4.35Å; L422-I427 HydrophobicContact CD2-CG1 3.86Å; L422-I427 HydrophobicContact CG-CG1 4.1Å; T423-I427 PolarHBondContact O-N 3.36Å; T423-I427 VanDerWaalsContact O-N 3.14Å; E424-I427 WeakPolarHBondContact O-CB 3.41Å; E424-I427 PolarHBondContact O-N 3.35Å; E424-I427 VanDerWaalsContact O-N 3.09Å; I427-S429 VanDerWaalsContact C-N 3.33Å; I427-S429 PolarHBondContact O-N 2.9Å; I427-L430 WeakPolarHBondContact O-CB 3.5Å; I427-L430 PolarHBondContact O-N 3Å; I427-A431 WeakPolarHBondContact O-CB 3.23Å; I427-A431 PolarHBondContact O-N 2.91Å |
| 428 | V | 88.1 | Confident | 86.3 | Confident | 50 Ų | 50 | 78.6 Ų | 78.6 | 30% | 0.303 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 174.8 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | P403 E424 L430 A431 H432 | P403-V428 HydrophobicContact CG-CG1 4.41Å; E424-V428 WeakPolarHBondContact O-CG2 3.39Å; E424-V428 PolarHBondContact O-N 3.23Å; V428-L430 VanDerWaalsContact C-N 3.35Å; V428-L430 PolarHBondContact O-N 2.96Å; V428-A431 PolarHBondContact O-N 3.25Å; V428-H432 PolarHBondContact O-N 3Å |
| 429 | S | 88.6 | Confident | 86.9 | Confident | 79 Ų | 79 | 81.7 Ų | 81.7 | 55% | 0.552 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62 | -40.8 | 175.7 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | E425 S426 I427 H432 G433 | E425-S429 VanDerWaalsContact O-CB 3.3Å; E425-S429 WeakPolarHBondContact O-CB 3.36Å; E425-S429 PolarHBondContact O-N 3.42Å; E425-S429 PolarHBondContact O-OG 3.37Å; S426-S429 PolarHBondContact O-N 2.67Å; I427-S429 VanDerWaalsContact C-N 3.33Å; I427-S429 PolarHBondContact O-N 2.9Å; S429-H432 PolarHBondContact O-N 2.72Å; S429-G433 PolarHBondContact O-N 3.49Å |
| 430 | L | 89.1 | Confident | 87.7 | Confident | 72 Ų | 72 | 81.1 Ų | 81.1 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 175.2 | -178.8 | 61.4 | 0 | 0 | 0 | 111.2 | V410 L414 S426 I427 V428 H432 G433 L434 | V410-L430 HydrophobicContact CG1-CD2 3.73Å; V410-L430 HydrophobicContact CG1-CG 4.27Å; L414-L430 HydrophobicContact CD1-CD2 3.97Å; L414-L430 HydrophobicContact CD2-CD2 4.27Å; S426-L430 WeakPolarHBondContact O-CB 3.37Å; S426-L430 PolarHBondContact O-N 3.35Å; I427-L430 WeakPolarHBondContact O-CB 3.5Å; I427-L430 PolarHBondContact O-N 3Å; V428-L430 VanDerWaalsContact C-N 3.35Å; V428-L430 PolarHBondContact O-N 2.96Å; L430-H432 VanDerWaalsContact C-N 3.32Å; L430-H432 PolarHBondContact O-N 2.81Å; L430-G433 PolarHBondContact O-N 2.81Å; L430-L434 WeakPolarHBondContact O-CG 3.18Å; L430-L434 PolarHBondContact O-N 2.9Å |
| 431 | A | 88.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P403 F405 V410 I427 V428 Q435 | P403-A431 HydrophobicContact CB-CB 3.38Å; P403-A431 HydrophobicContact CG-CB 3.79Å; F405-A431 HydrophobicContact CB-CB 4.12Å; V410-A431 HydrophobicContact CG2-CB 4.25Å; I427-A431 WeakPolarHBondContact O-CB 3.23Å; I427-A431 PolarHBondContact O-N 2.91Å; V428-A431 PolarHBondContact O-N 3.25Å; A431-Q435 PolarHBondContact O-N 3.15Å |
| 432 | H | 89.6 | Confident | 89.6 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 44% | 0.44 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 171.8 | -162.2 | 83.3 | 0 | 0 | 0 | 112.1 | V428 S429 L430 L434 Q435 I436 | V428-H432 PolarHBondContact O-N 3Å; S429-H432 PolarHBondContact O-N 2.72Å; L430-H432 VanDerWaalsContact C-N 3.32Å; L430-H432 PolarHBondContact O-N 2.81Å; H432-L434 PolarHBondContact O-N 3.24Å; H432-Q435 WeakPolarHBondContact O-CB 3.49Å; H432-Q435 PolarHBondContact O-N 2.93Å; H432-Q435 VanDerWaalsContact O-N 3.16Å; H432-I436 VanDerWaalsContact CD2-CD1 3.42Å; H432-I436 WeakPolarHBondContact CD2-CD1 3.37Å; H432-I436 WeakPolarHBondContact O-CG1 3.42Å; H432-I436 PolarHBondContact O-N 2.87Å |
| 433 | G | 91.1 | Very high | 90.5 | Very high | 36 Ų | 36 | 75.8 Ų | 75.8 | 37% | 0.371 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S429 L430 I436 F437 | S429-G433 PolarHBondContact O-N 3.49Å; L430-G433 PolarHBondContact O-N 2.81Å; G433-I436 PolarHBondContact O-N 3.19Å; G433-F437 WeakPolarHBondContact O-CB 3.39Å; G433-F437 PolarHBondContact O-N 2.88Å |
| 434 | L | 91.1 | Very high | 91 | Very high | 68 Ų | 68 | 76.7 Ų | 76.7 | 36% | 0.356 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 173.5 | -71.5 | 173.1 | 0 | 0 | 0 | 111.9 | F405 L430 H432 F437 I438 | F405-L434 HydrophobicContact CD2-CB 3.69Å; F405-L434 HydrophobicContact CD2-CD1 4.49Å; F405-L434 HydrophobicContact CE2-CB 3.71Å; L430-L434 WeakPolarHBondContact O-CG 3.18Å; L430-L434 PolarHBondContact O-N 2.9Å; H432-L434 PolarHBondContact O-N 3.24Å; L434-F437 WeakPolarHBondContact O-CB 3.44Å; L434-F437 PolarHBondContact O-N 2.95Å; L434-I438 PolarHBondContact O-N 3.28Å |
| 435 | Q | 90.2 | Very high | 91.5 | Very high | 37 Ų | 37 | 77.3 Ų | 77.3 | 17% | 0.173 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.4 | -173.3 | -174.7 | 7.7 | 0 | 0 | 111.5 | F404 A431 H432 F437 I438 K439 | F404-Q435 HydrophobicContact CB-CB 4.28Å; F404-Q435 HydrophobicContact CB-CG 3.79Å; A431-Q435 PolarHBondContact O-N 3.15Å; H432-Q435 WeakPolarHBondContact O-CB 3.49Å; H432-Q435 PolarHBondContact O-N 2.93Å; H432-Q435 VanDerWaalsContact O-N 3.16Å; Q435-F437 VanDerWaalsContact C-N 3.31Å; Q435-F437 PolarHBondContact O-N 3.03Å; Q435-I438 PolarHBondContact O-N 2.96Å; Q435-K439 HydrophobicContact CG-CD 4.39Å; Q435-K439 WeakPolarHBondContact O-CG 2.88Å; Q435-K439 PolarHBondContact O-N 3.36Å |
| 436 | I | 91.3 | Very high | 91.8 | Very high | 89 Ų | 89 | 78.8 Ų | 78.8 | 46% | 0.456 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 175.9 | -67.3 | 170.3 | 0 | 0 | 0 | 110.6 | H432 G433 I438 K439 N440 | H432-I436 VanDerWaalsContact CD2-CD1 3.42Å; H432-I436 WeakPolarHBondContact CD2-CD1 3.37Å; H432-I436 WeakPolarHBondContact O-CG1 3.42Å; H432-I436 PolarHBondContact O-N 2.87Å; G433-I436 PolarHBondContact O-N 3.19Å; I436-I438 PolarHBondContact O-N 3.46Å; I436-K439 PolarHBondContact O-N 2.87Å; I436-N440 WeakPolarHBondContact O-CB 3.42Å; I436-N440 PolarHBondContact O-N 3.42Å |
| 437 | F | 94.2 | Very high | 92 | Very high | 134 Ų | 134 | 79.8 Ų | 79.8 | 59% | 0.588 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58.9 | -45.7 | 178.2 | 174.9 | -107.5 | 0 | 0 | 0 | 112.3 | G433 L434 Q435 N440 L441 | G433-F437 WeakPolarHBondContact O-CB 3.39Å; G433-F437 PolarHBondContact O-N 2.88Å; L434-F437 WeakPolarHBondContact O-CB 3.44Å; L434-F437 PolarHBondContact O-N 2.95Å; Q435-F437 VanDerWaalsContact C-N 3.31Å; Q435-F437 PolarHBondContact O-N 3.03Å; F437-N440 WeakPolarHBondContact O-CB 3.25Å; F437-N440 PolarHBondContact O-N 2.98Å; F437-L441 PolarHBondContact O-N 3.05Å |
| 438 | I | 94.6 | Very high | 92.2 | Very high | 78 Ų | 78 | 83.5 Ų | 83.5 | 40% | 0.4 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.4 | -40.9 | 177.6 | -69.2 | 173.6 | 0 | 0 | 0 | 111.5 | F405 L434 Q435 I436 N440 L441 L442 | F405-I438 HydrophobicContact CE2-CD1 3.72Å; F405-I438 HydrophobicContact CZ-CD1 3.32Å; L434-I438 PolarHBondContact O-N 3.28Å; Q435-I438 PolarHBondContact O-N 2.96Å; I436-I438 PolarHBondContact O-N 3.46Å; I438-N440 VanDerWaalsContact C-N 3.26Å; I438-N440 PolarHBondContact O-N 3.23Å; I438-L441 PolarHBondContact O-N 2.97Å; I438-L442 WeakPolarHBondContact O-CB 3.25Å; I438-L442 PolarHBondContact O-N 3.04Å |
| 439 | K | 93.4 | Very high | 92.4 | Very high | 120 Ų | 120 | 84 Ų | 84 | 52% | 0.522 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -57 | -42.2 | 173.2 | -75.4 | 175.9 | 175.7 | 176.6 | 0 | 111.2 | Q435 I436 L442 S443 | Q435-K439 HydrophobicContact CG-CD 4.39Å; Q435-K439 WeakPolarHBondContact O-CG 2.88Å; Q435-K439 PolarHBondContact O-N 3.36Å; I436-K439 PolarHBondContact O-N 2.87Å; K439-L442 PolarHBondContact O-N 3.47Å; K439-S443 PolarHBondContact O-N 3.11Å |
| 440 | N | 94.7 | Very high | 92.2 | Very high | 76 Ų | 76 | 82.9 Ų | 82.9 | 41% | 0.406 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 176.3 | -168.7 | -16.2 | 0 | 0 | 0 | 111.7 | I436 F437 I438 L442 S443 K444 | I436-N440 WeakPolarHBondContact O-CB 3.42Å; I436-N440 PolarHBondContact O-N 3.42Å; F437-N440 WeakPolarHBondContact O-CB 3.25Å; F437-N440 PolarHBondContact O-N 2.98Å; I438-N440 VanDerWaalsContact C-N 3.26Å; I438-N440 PolarHBondContact O-N 3.23Å; N440-L442 VanDerWaalsContact C-N 3.32Å; N440-L442 PolarHBondContact O-N 2.88Å; N440-S443 WeakPolarHBondContact O-CB 3.46Å; N440-S443 PolarHBondContact O-N 3.39Å; N440-K444 WeakPolarHBondContact O-CG 3.34Å; N440-K444 PolarHBondContact O-N 3.44Å; N440-K444 WeakPolarHBondContact OD1-CE 3.44Å |
| 441 | L | 95.9 | Very high | 92.1 | Very high | 102 Ų | 102 | 85.7 Ų | 85.7 | 53% | 0.534 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 175.5 | -174.4 | 61.2 | 0 | 0 | 0 | 112 | F437 I438 K444 L445 | F437-L441 PolarHBondContact O-N 3.05Å; I438-L441 PolarHBondContact O-N 2.97Å; L441-K444 PolarHBondContact O-N 3.25Å; L441-L445 PolarHBondContact O-N 3.11Å |
| 442 | L | 95.3 | Very high | 92 | Very high | 114 Ų | 114 | 95.7 Ų | 95.7 | 60% | 0.597 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.4 | -38.8 | 176.1 | -172.5 | 62.7 | 0 | 0 | 0 | 111.7 | I438 K439 N440 L445 R446 | I438-L442 WeakPolarHBondContact O-CB 3.25Å; I438-L442 PolarHBondContact O-N 3.04Å; K439-L442 PolarHBondContact O-N 3.47Å; N440-L442 VanDerWaalsContact C-N 3.32Å; N440-L442 PolarHBondContact O-N 2.88Å; L442-L445 HydrophobicContact CD1-CD2 4.48Å; L442-L445 PolarHBondContact O-N 2.68Å; L442-R446 WeakPolarHBondContact O-CB 3.3Å; L442-R446 PolarHBondContact O-N 3.03Å |
| 443 | S | 94.4 | Very high | 91.7 | Very high | 60 Ų | 60 | 97.3 Ų | 97.3 | 42% | 0.42 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 172.8 | -172.1 | 0 | 0 | 0 | 0 | 112 | K439 N440 L445 R446 I447 | K439-S443 PolarHBondContact O-N 3.11Å; N440-S443 WeakPolarHBondContact O-CB 3.46Å; N440-S443 PolarHBondContact O-N 3.39Å; S443-L445 PolarHBondContact O-N 2.94Å; S443-R446 WeakPolarHBondContact O-CB 3.47Å; S443-R446 PolarHBondContact O-N 3.49Å; S443-I447 WeakPolarHBondContact O-CG1 3.2Å; S443-I447 PolarHBondContact O-N 3.06Å |
| 444 | K | 95.3 | Very high | 91.1 | Very high | 107 Ų | 107 | 99.9 Ų | 99.9 | 47% | 0.465 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 173.7 | -69.4 | 175.5 | -178.3 | 176.1 | 0 | 112.2 | N440 L441 R446 I447 V448 | N440-K444 WeakPolarHBondContact O-CG 3.34Å; N440-K444 PolarHBondContact O-N 3.44Å; N440-K444 WeakPolarHBondContact OD1-CE 3.44Å; L441-K444 PolarHBondContact O-N 3.25Å; K444-R446 VanDerWaalsContact C-N 3.34Å; K444-I447 PolarHBondContact O-N 3.1Å; K444-V448 PolarHBondContact O-N 3.34Å |
| 445 | L | 94.9 | Very high | 90.1 | Very high | 99 Ų | 99 | 106.3 Ų | 106.3 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 176.3 | -178.1 | 60.7 | 0 | 0 | 0 | 111.3 | L441 L442 S443 I447 V448 V449 | L441-L445 PolarHBondContact O-N 3.11Å; L442-L445 HydrophobicContact CD1-CD2 4.48Å; L442-L445 PolarHBondContact O-N 2.68Å; S443-L445 PolarHBondContact O-N 2.94Å; L445-I447 VanDerWaalsContact C-N 3.3Å; L445-I447 PolarHBondContact O-N 3.08Å; L445-V448 PolarHBondContact O-N 3.29Å; L445-V448 VanDerWaalsContact O-N 3.17Å; L445-V449 HydrophobicContact CD1-CG2 4.2Å; L445-V449 HydrophobicContact CG-CG2 4.29Å; L445-V449 WeakPolarHBondContact O-CG2 3.43Å; L445-V449 PolarHBondContact O-N 2.8Å |
| 446 | R | 92.1 | Very high | 89.1 | Confident | 188 Ų | 188 | 109.9 Ų | 109.9 | 71% | 0.709 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -53.5 | -47.6 | 174.2 | 176.5 | -175.1 | 174.5 | 174.4 | 0.2 | 111 | L442 S443 K444 V448 V449 S450 | L442-R446 WeakPolarHBondContact O-CB 3.3Å; L442-R446 PolarHBondContact O-N 3.03Å; S443-R446 WeakPolarHBondContact O-CB 3.47Å; S443-R446 PolarHBondContact O-N 3.49Å; K444-R446 VanDerWaalsContact C-N 3.34Å; R446-V448 PolarHBondContact O-N 3.43Å; R446-V449 PolarHBondContact O-N 3.42Å; R446-S450 PolarHBondContact O-N 3.27Å; R446-S450 PolarHBondContact O-OG 2.88Å; R446-S450 VanDerWaalsContact O-OG 3.13Å |
| 447 | I | 92.3 | Very high | 88 | Confident | 67 Ų | 67 | 109.4 Ų | 109.4 | 34% | 0.344 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 178.5 | -63.2 | 165 | 0 | 0 | 0 | 111.3 | S443 K444 L445 V449 S450 H451 W674 | S443-I447 WeakPolarHBondContact O-CG1 3.2Å; S443-I447 PolarHBondContact O-N 3.06Å; K444-I447 PolarHBondContact O-N 3.1Å; L445-I447 VanDerWaalsContact C-N 3.3Å; L445-I447 PolarHBondContact O-N 3.08Å; I447-V449 VanDerWaalsContact C-N 3.34Å; I447-V449 PolarHBondContact O-N 3.48Å; I447-S450 WeakPolarHBondContact O-CB 3.41Å; I447-S450 PolarHBondContact O-N 2.62Å; I447-H451 PolarHBondContact O-CD2 3.45Å; I447-H451 PolarHBondContact O-N 3.14Å; I447-W674 HydrophobicContact CD1-CH2 4.35Å; I447-W674 HydrophobicContact CD1-CZ2 4.31Å |
| 448 | V | 91.4 | Very high | 86.6 | Confident | 83 Ų | 83 | 110.1 Ų | 110.1 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.4 | -41.1 | 178.3 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | K444 L445 R446 H451 R452 | K444-V448 PolarHBondContact O-N 3.34Å; L445-V448 PolarHBondContact O-N 3.29Å; L445-V448 VanDerWaalsContact O-N 3.17Å; R446-V448 PolarHBondContact O-N 3.43Å; V448-H451 PolarHBondContact O-N 3.39Å; V448-R452 WeakPolarHBondContact O-CG 3.47Å; V448-R452 PolarHBondContact O-N 2.86Å; V448-R452 VanDerWaalsContact O-N 3.13Å |
| 449 | V | 91.2 | Very high | 85.3 | Confident | 61 Ų | 61 | 109.6 Ų | 109.6 | 37% | 0.37 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 176.7 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | L445 R446 I447 R452 L453 | L445-V449 HydrophobicContact CD1-CG2 4.2Å; L445-V449 HydrophobicContact CG-CG2 4.29Å; L445-V449 WeakPolarHBondContact O-CG2 3.43Å; L445-V449 PolarHBondContact O-N 2.8Å; R446-V449 PolarHBondContact O-N 3.42Å; I447-V449 VanDerWaalsContact C-N 3.34Å; I447-V449 PolarHBondContact O-N 3.48Å; V449-R452 PolarHBondContact O-N 2.99Å; V449-R452 VanDerWaalsContact O-N 3.11Å; V449-L453 HydrophobicContact CG1-CD1 3.76Å; V449-L453 HydrophobicContact CG1-CG 4.24Å; V449-L453 WeakPolarHBondContact O-CG 3.39Å; V449-L453 PolarHBondContact O-N 2.85Å |
| 450 | S | 85.9 | Confident | 84.1 | Confident | 54 Ų | 54 | 109.8 Ų | 109.8 | 38% | 0.378 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -55.6 | -52.3 | 173.4 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | R446 I447 R452 L453 D454 | R446-S450 PolarHBondContact O-N 3.27Å; R446-S450 PolarHBondContact O-OG 2.88Å; R446-S450 VanDerWaalsContact O-OG 3.13Å; I447-S450 WeakPolarHBondContact O-CB 3.41Å; I447-S450 PolarHBondContact O-N 2.62Å; S450-R452 PolarHBondContact O-N 2.93Å; S450-R452 VanDerWaalsContact O-N 3.13Å; S450-L453 PolarHBondContact O-N 3.09Å; S450-L453 VanDerWaalsContact O-N 3.08Å; S450-D454 PolarHBondContact O-N 3.35Å |
| 451 | H | 86.9 | Confident | 83.1 | Confident | 131 Ų | 131 | 116.1 Ų | 116.1 | 61% | 0.606 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.1 | -25.6 | 177.1 | -72.9 | -59.1 | 0 | 0 | 0 | 114.5 | I447 V448 | I447-H451 PolarHBondContact O-CD2 3.45Å; I447-H451 PolarHBondContact O-N 3.14Å; V448-H451 PolarHBondContact O-N 3.39Å |
| 452 | R | 86.1 | Confident | 81.7 | Confident | 210 Ų | 210 | 114.1 Ų | 114.1 | 79% | 0.792 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -81.9 | -30.3 | 176.6 | -73.1 | -177 | 70.6 | -164 | -0.2 | 113.1 | V448 V449 S450 | V448-R452 WeakPolarHBondContact O-CG 3.47Å; V448-R452 PolarHBondContact O-N 2.86Å; V448-R452 VanDerWaalsContact O-N 3.13Å; V449-R452 PolarHBondContact O-N 2.99Å; V449-R452 VanDerWaalsContact O-N 3.11Å; S450-R452 PolarHBondContact O-N 2.93Å; S450-R452 VanDerWaalsContact O-N 3.13Å |
| 453 | L | 83.1 | Confident | 80.6 | Confident | 129 Ų | 129 | 113.9 Ų | 113.9 | 68% | 0.675 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -84.5 | -25.8 | 177.7 | -68.5 | 175.6 | 0 | 0 | 0 | 111.9 | V449 S450 R455 | V449-L453 HydrophobicContact CG1-CD1 3.76Å; V449-L453 HydrophobicContact CG1-CG 4.24Å; V449-L453 WeakPolarHBondContact O-CG 3.39Å; V449-L453 PolarHBondContact O-N 2.85Å; S450-L453 PolarHBondContact O-N 3.09Å; S450-L453 VanDerWaalsContact O-N 3.08Å; L453-R455 PolarHBondContact O-N 3.3Å |
| 454 | D | 78.5 | Confident | 79.8 | Confident | 90 Ų | 90 | 116.4 Ų | 116.4 | 48% | 0.481 | 58% | 0.582 | S | S | . | * | trans | -60.9 | 107.8 | 174.8 | -70.9 | -19.4 | 0 | 0 | 0 | 110.4 | S450 L456 | S450-D454 PolarHBondContact O-N 3.35Å; D454-L456 VanDerWaalsContact C-N 3.31Å; D454-L456 PolarHBondContact O-N 3.31Å | ||
| 455 | R | 69.7 | Low | 78.8 | Confident | 204 Ų | 204 | 116.3 Ų | 116.3 | 77% | 0.77 | 59% | 0.591 | S | S | * | * | trans | -78.3 | 82.5 | 174.1 | -67.3 | -174.5 | 179.6 | -174.6 | 1.7 | 109.6 | L453 G457 E458 | L453-R455 PolarHBondContact O-N 3.3Å; R455-G457 PolarHBondContact O-N 3.46Å; R455-E458 HydrophobicContact CB-CG 4.19Å; R455-E458 PolarHBondContact O-N 2.95Å; R455-E458 VanDerWaalsContact O-N 3.11Å | ||
| 456 | L | 69.7 | Low | 77.9 | Confident | 111 Ų | 111 | 115.5 Ų | 115.5 | 58% | 0.581 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -19.2 | -179.4 | -62.2 | 169.1 | 0 | 0 | 0 | 114.4 | D454 L462 | D454-L456 VanDerWaalsContact C-N 3.31Å; D454-L456 PolarHBondContact O-N 3.31Å; L456-L462 HydrophobicContact CB-CD1 4.2Å; L456-L462 HydrophobicContact CD2-CD1 3.79Å; L456-L462 WeakPolarHBondContact O-CD1 3.49Å |
| 457 | G | 69.3 | Low | 77.5 | Confident | 79 Ų | 79 | 110.6 Ų | 110.6 | 81% | 0.814 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -18 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | R455 | R455-G457 PolarHBondContact O-N 3.46Š|
| 458 | E | 64.1 | Low | 77.2 | Confident | 150 Ų | 150 | 110 Ų | 110 | 70% | 0.701 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -99.7 | -8 | -175.9 | -56.8 | -62.7 | 153.3 | 0 | 0 | 112.7 | R455 S460 | R455-E458 HydrophobicContact CB-CG 4.19Å; R455-E458 PolarHBondContact O-N 2.95Å; R455-E458 VanDerWaalsContact O-N 3.11Å; E458-S460 PolarHBondContact O-N 3.35Å |
| 459 | D | 66.9 | Low | 76.9 | Confident | 66 Ų | 66 | 115.1 Ų | 115.1 | 35% | 0.353 | 58% | 0.582 | S | S | . | * | trans | -85.9 | 103.5 | -171.4 | -147.1 | -14.3 | 0 | 0 | 0 | 109.7 | R461 L462 | D459-R461 PolarHBondContact O-N 3.03Å; D459-R461 IonicContact OD1-NE 3.56Å; D459-R461 IonicContact OD1-NH2 3.65Å; D459-R461 IonicContact OD2-NH2 3.74Å; D459-L462 HydrophobicContact CB-CD1 3.73Å; D459-L462 HydrophobicContact CB-CG 3.97Å; D459-L462 PolarHBondContact O-N 3.47Å | ||
| 460 | S | 68.7 | Low | 76.8 | Confident | 125 Ų | 125 | 117.2 Ų | 117.2 | 87% | 0.874 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -14.6 | -175.4 | -179.4 | 0 | 0 | 0 | 0 | 114.8 | E458 | E458-S460 PolarHBondContact O-N 3.35Š|
| 461 | R | 73.1 | Confident | 77 | Confident | 208 Ų | 208 | 119.9 Ų | 119.9 | 79% | 0.785 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -11 | 179.1 | -62.8 | 175.9 | -65.1 | 169.7 | 3.5 | 113 | D459 | D459-R461 PolarHBondContact O-N 3.03Å; D459-R461 IonicContact OD1-NE 3.56Å; D459-R461 IonicContact OD1-NH2 3.65Å; D459-R461 IonicContact OD2-NH2 3.74Å |
| 462 | L | 66.4 | Low | 77.3 | Confident | 60 Ų | 60 | 119.2 Ų | 119.2 | 31% | 0.314 | 59% | 0.594 | S | S | . | * | trans | -96.5 | 126.5 | -177.6 | -58.2 | 178 | 0 | 0 | 0 | 109.8 | L7 L456 D459 | L7-L462 HydrophobicContact CB-CD2 4.41Å; L7-L462 HydrophobicContact CD1-CB 4.48Å; L7-L462 HydrophobicContact CD1-CD2 4.05Å; L456-L462 HydrophobicContact CB-CD1 4.2Å; L456-L462 HydrophobicContact CD2-CD1 3.79Å; L456-L462 WeakPolarHBondContact O-CD1 3.49Å; D459-L462 HydrophobicContact CB-CD1 3.73Å; D459-L462 HydrophobicContact CB-CG 3.97Å; D459-L462 PolarHBondContact O-N 3.47Å | ||
| 463 | V | 71.8 | Confident | 77.6 | Confident | 109 Ų | 109 | 112 Ų | 112 | 66% | 0.661 | 57% | 0.567 | S | S | * | * | trans | -103 | 131 | 172.4 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | T465 | V463-T465 PolarHBondContact O-N 2.89Å; V463-T465 VanDerWaalsContact O-N 3.15Å | ||
| 464 | Q | 78.9 | Confident | 78 | Confident | 113 Ų | 113 | 111.9 Ų | 111.9 | 53% | 0.528 | 56% | 0.561 | S | S | . | * | trans | -66.1 | 112.9 | 174.1 | -175.7 | 168.1 | 4 | 0 | 0 | 109.7 | D466 H467 | Q464-D466 WeakPolarHBondContact CG-O 3.43Å; Q464-D466 PolarHBondContact NE2-O 3.4Å; Q464-H467 VanDerWaalsContact CD-CE1 3.43Å; Q464-H467 PolarHBondContact NE2-ND1 3.3Å | ||
| 465 | T | 73.2 | Confident | 78.8 | Confident | 106 Ų | 106 | 112.6 Ų | 112.6 | 65% | 0.65 | 56% | 0.564 | S | S | * | * | trans | -89.3 | -27.2 | -179.4 | 50 | 0 | 0 | 0 | 0 | 113.2 | L7 V463 | L7-T465 HydrophobicContact CD2-CG2 4.02Å; V463-T465 PolarHBondContact O-N 2.89Å; V463-T465 VanDerWaalsContact O-N 3.15Å | ||
| 466 | D | 76 | Confident | 80 | Confident | 82 Ų | 82 | 105.8 Ų | 105.8 | 44% | 0.439 | 54% | 0.541 | S | S | . | . | trans | -140.4 | 144.7 | -178.3 | -166 | 0.8 | 0 | 0 | 0 | 111.3 | Q464 T468 | Q464-D466 WeakPolarHBondContact CG-O 3.43Å; Q464-D466 PolarHBondContact NE2-O 3.4Å; D466-T468 PolarHBondContact OD1-N 3.48Å; D466-T468 PolarHBondContact OD2-OG1 2.87Å | ||
| 467 | H | 83.9 | Confident | 81.2 | Confident | 85 Ų | 85 | 106.1 Ų | 106.1 | 39% | 0.394 | 54% | 0.538 | S | S | . | . | trans | -105.3 | 28 | 179.1 | -65.5 | -80.9 | 0 | 0 | 0 | 111.3 | Q464 R469 E470 Q471 | Q464-H467 VanDerWaalsContact CD-CE1 3.43Å; Q464-H467 PolarHBondContact NE2-ND1 3.3Å; H467-R469 PolarHBondContact O-N 2.72Å; H467-E470 HydrophobicContact CB-CB 4.44Å; H467-E470 WeakPolarHBondContact CB-OE2 3.49Å; H467-E470 IonicContact CE1-OE2 3.52Å; H467-E470 IonicContact CG-OE2 3.94Å; H467-E470 IonicContact ND1-OE1 2.78Å; H467-E470 IonicContact ND1-OE2 3.86Å; H467-E470 PolarHBondContact ND1-OE2 3.21Å; H467-E470 PolarHBondContact O-N 3.3Å; H467-Q471 WeakPolarHBondContact O-CG 3.49Å; H467-Q471 PolarHBondContact O-N 3.39Å | ||
| 468 | T | 87 | Confident | 82.4 | Confident | 53 Ų | 53 | 105.5 Ų | 105.5 | 33% | 0.325 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -52 | -36.3 | -173.6 | -22.4 | 0 | 0 | 0 | 0 | 113.4 | D466 L472 | D466-T468 PolarHBondContact OD1-N 3.48Å; D466-T468 PolarHBondContact OD2-OG1 2.87Å; T468-L472 VanDerWaalsContact O-CB 3.31Å; T468-L472 WeakPolarHBondContact O-CB 3.43Å; T468-L472 PolarHBondContact O-N 2.81Å |
| 469 | R | 85.2 | Confident | 83.8 | Confident | 192 Ų | 192 | 103.7 Ų | 103.7 | 73% | 0.725 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.3 | -44.3 | 178.4 | -68.9 | -179.8 | 71.5 | -178.3 | 0.9 | 111.5 | H467 R473 | H467-R469 PolarHBondContact O-N 2.72Å; R469-R473 VanDerWaalsContact O-CG 3.23Å; R469-R473 WeakPolarHBondContact O-CG 3.4Å; R469-R473 PolarHBondContact O-N 3.19Å |
| 470 | E | 87.6 | Confident | 85.1 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.7 | -40.1 | 177.3 | -71.3 | 142.6 | -148.4 | 0 | 0 | 111.1 | H467 R473 F474 | H467-E470 HydrophobicContact CB-CB 4.44Å; H467-E470 WeakPolarHBondContact CB-OE2 3.49Å; H467-E470 IonicContact CE1-OE2 3.52Å; H467-E470 IonicContact CG-OE2 3.94Å; H467-E470 IonicContact ND1-OE1 2.78Å; H467-E470 IonicContact ND1-OE2 3.86Å; H467-E470 PolarHBondContact ND1-OE2 3.21Å; H467-E470 PolarHBondContact O-N 3.3Å; E470-R473 CarbonylContact O-C 3.56Å; E470-R473 WeakPolarHBondContact O-CB 3.33Å; E470-R473 PolarHBondContact O-N 3.49Å; E470-F474 WeakPolarHBondContact O-CB 3.37Å; E470-F474 PolarHBondContact O-N 2.94Å |
| 471 | Q | 91.4 | Very high | 86.3 | Confident | 109 Ų | 109 | 101.8 Ų | 101.8 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 173.9 | -68.9 | 171.6 | -12.8 | 0 | 0 | 111.7 | H467 R473 F474 L475 | H467-Q471 WeakPolarHBondContact O-CG 3.49Å; H467-Q471 PolarHBondContact O-N 3.39Å; Q471-R473 VanDerWaalsContact C-N 3.32Å; Q471-R473 PolarHBondContact O-N 2.78Å; Q471-F474 WeakPolarHBondContact O-CB 3.41Å; Q471-F474 PolarHBondContact O-N 3.09Å; Q471-L475 PolarHBondContact O-N 2.88Å |
| 472 | L | 93 | Very high | 87.3 | Confident | 117 Ų | 117 | 95 Ų | 95 | 61% | 0.613 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.2 | -38.7 | 174.9 | -177.1 | 63.6 | 0 | 0 | 0 | 111.5 | T468 F474 L475 Q476 | T468-L472 VanDerWaalsContact O-CB 3.31Å; T468-L472 WeakPolarHBondContact O-CB 3.43Å; T468-L472 PolarHBondContact O-N 2.81Å; L472-F474 VanDerWaalsContact C-N 3.31Å; L472-L475 PolarHBondContact O-N 3.41Å; L472-Q476 WeakPolarHBondContact O-CB 3.31Å; L472-Q476 PolarHBondContact O-N 3.12Å |
| 473 | R | 91.4 | Very high | 88.6 | Confident | 60 Ų | 60 | 97 Ų | 97 | 23% | 0.226 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -65.4 | -34.8 | 173.8 | -71.9 | -61.6 | -171.9 | -176.8 | 3.6 | 112.4 | R469 E470 Q471 K477 G597 | R469-R473 VanDerWaalsContact O-CG 3.23Å; R469-R473 WeakPolarHBondContact O-CG 3.4Å; R469-R473 PolarHBondContact O-N 3.19Å; E470-R473 CarbonylContact O-C 3.56Å; E470-R473 WeakPolarHBondContact O-CB 3.33Å; E470-R473 PolarHBondContact O-N 3.49Å; Q471-R473 VanDerWaalsContact C-N 3.32Å; Q471-R473 PolarHBondContact O-N 2.78Å; R473-K477 WeakPolarHBondContact O-CG 3.37Å; R473-K477 PolarHBondContact O-N 2.93Å; R473-G597 PolarHBondContact NH1-O 3.27Å; R473-G597 PolarHBondContact NH2-O 2.82Å |
| 474 | F | 92.9 | Very high | 89.4 | Confident | 126 Ų | 126 | 95.7 Ų | 95.7 | 55% | 0.553 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68.6 | -45.5 | 173.8 | 175.3 | -103.1 | 0 | 0 | 0 | 111.2 | E470 Q471 L472 Q476 K477 L478 | E470-F474 WeakPolarHBondContact O-CB 3.37Å; E470-F474 PolarHBondContact O-N 2.94Å; Q471-F474 WeakPolarHBondContact O-CB 3.41Å; Q471-F474 PolarHBondContact O-N 3.09Å; L472-F474 VanDerWaalsContact C-N 3.31Å; F474-Q476 VanDerWaalsContact C-N 3.29Å; F474-Q476 PolarHBondContact O-N 3.43Å; F474-K477 WeakPolarHBondContact O-CA 3.3Å; F474-K477 WeakPolarHBondContact O-CB 3.49Å; F474-K477 PolarHBondContact O-N 2.98Å; F474-L478 HydrophobicContact CD1-CD1 4.06Å; F474-L478 HydrophobicContact CD1-CG 4.41Å; F474-L478 HydrophobicContact CE1-CD1 3.4Å; F474-L478 HydrophobicContact CE1-CG 3.93Å; F474-L478 HydrophobicContact CE2-CD2 4.47Å; F474-L478 HydrophobicContact CE2-CG 4.38Å; F474-L478 HydrophobicContact CZ-CD1 3.75Å; F474-L478 HydrophobicContact CZ-CD2 4.05Å; F474-L478 HydrophobicContact CZ-CG 3.91Å; F474-L478 PolarHBondContact O-N 3.17Å |
| 475 | L | 94.5 | Very high | 90.1 | Very high | 105 Ų | 105 | 95.5 Ų | 95.5 | 55% | 0.55 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 176.5 | -173 | 61.8 | 0 | 0 | 0 | 111.9 | Q471 L472 K477 L478 D479 | Q471-L475 PolarHBondContact O-N 2.88Å; L472-L475 PolarHBondContact O-N 3.41Å; L475-K477 VanDerWaalsContact C-N 3.31Å; L475-K477 PolarHBondContact O-N 3.32Å; L475-L478 PolarHBondContact O-N 2.83Å; L475-D479 PolarHBondContact O-N 2.91Å |
| 476 | Q | 94.2 | Very high | 91 | Very high | 60 Ų | 60 | 97 Ų | 97 | 28% | 0.28 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.3 | -34.5 | 173.8 | -174.2 | 174.9 | 22.1 | 0 | 0 | 113 | L472 F474 E480 V599 | L472-Q476 WeakPolarHBondContact O-CB 3.31Å; L472-Q476 PolarHBondContact O-N 3.12Å; F474-Q476 VanDerWaalsContact C-N 3.29Å; F474-Q476 PolarHBondContact O-N 3.43Å; Q476-E480 WeakPolarHBondContact O-CB 3.48Å; Q476-E480 PolarHBondContact O-N 3Å; Q476-E480 VanDerWaalsContact O-N 3.11Å; Q476-V599 HydrophobicContact CG-CG2 3.8Å |
| 477 | K | 94.9 | Very high | 91.6 | Very high | 119 Ų | 119 | 96 Ų | 96 | 52% | 0.517 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.1 | -34.7 | 174.4 | -73.8 | 174.5 | -179.1 | -176.4 | 0 | 112.3 | R473 F474 L475 H481 | R473-K477 WeakPolarHBondContact O-CG 3.37Å; R473-K477 PolarHBondContact O-N 2.93Å; F474-K477 WeakPolarHBondContact O-CA 3.3Å; F474-K477 WeakPolarHBondContact O-CB 3.49Å; F474-K477 PolarHBondContact O-N 2.98Å; L475-K477 VanDerWaalsContact C-N 3.31Å; L475-K477 PolarHBondContact O-N 3.32Å; K477-H481 WeakPolarHBondContact O-CB 3.26Å; K477-H481 PolarHBondContact O-N 3.02Å |
| 478 | L | 94.8 | Very high | 91.8 | Very high | 66 Ų | 66 | 97.4 Ų | 97.4 | 35% | 0.346 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 173.7 | -75 | -178.5 | 0 | 0 | 0 | 111.1 | F474 L475 E480 H481 D482 | F474-L478 HydrophobicContact CD1-CD1 4.06Å; F474-L478 HydrophobicContact CD1-CG 4.41Å; F474-L478 HydrophobicContact CE1-CD1 3.4Å; F474-L478 HydrophobicContact CE1-CG 3.93Å; F474-L478 HydrophobicContact CE2-CD2 4.47Å; F474-L478 HydrophobicContact CE2-CG 4.38Å; F474-L478 HydrophobicContact CZ-CD1 3.75Å; F474-L478 HydrophobicContact CZ-CD2 4.05Å; F474-L478 HydrophobicContact CZ-CG 3.91Å; F474-L478 PolarHBondContact O-N 3.17Å; L475-L478 PolarHBondContact O-N 2.83Å; L478-E480 VanDerWaalsContact C-N 3.32Å; L478-E480 PolarHBondContact O-N 2.98Å; L478-H481 WeakPolarHBondContact O-CB 3.5Å; L478-H481 PolarHBondContact O-N 3.44Å; L478-H481 VanDerWaalsContact O-N 3.12Å; L478-D482 PolarHBondContact O-N 3.42Å |
| 479 | D | 94.2 | Very high | 92 | Very high | 111 Ų | 111 | 100.3 Ų | 100.3 | 59% | 0.594 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58.5 | -44.5 | 175.8 | -174.3 | 56.1 | 0 | 0 | 0 | 111.7 | L475 H481 D482 R483 | L475-D479 PolarHBondContact O-N 2.91Å; D479-H481 VanDerWaalsContact C-N 3.35Å; D479-H481 PolarHBondContact O-N 3.26Å; D479-D482 PolarHBondContact O-N 3.4Å; D479-R483 WeakPolarHBondContact O-CB 3.32Å; D479-R483 PolarHBondContact O-N 2.9Å |
| 480 | E | 94.7 | Very high | 92.2 | Very high | 48 Ų | 48 | 97.3 Ų | 97.3 | 22% | 0.224 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 174.6 | -177.2 | 59.2 | -162.7 | 0 | 0 | 112.5 | Q476 L478 R483 M484 V599 | Q476-E480 WeakPolarHBondContact O-CB 3.48Å; Q476-E480 PolarHBondContact O-N 3Å; Q476-E480 VanDerWaalsContact O-N 3.11Å; L478-E480 VanDerWaalsContact C-N 3.32Å; L478-E480 PolarHBondContact O-N 2.98Å; E480-R483 PolarHBondContact O-N 3.24Å; E480-R483 IonicContact OE1-CZ 3.63Å; E480-R483 IonicContact OE1-NE 2.94Å; E480-R483 IonicContact OE1-NH2 3.48Å; E480-R483 PolarHBondContact OE1-NH2 3.4Å; E480-R483 IonicContact OE2-CZ 3.59Å; E480-R483 IonicContact OE2-NE 3.6Å; E480-R483 PolarHBondContact OE2-NE 3.02Å; E480-R483 IonicContact OE2-NH2 3.51Å; E480-R483 PolarHBondContact OE2-NH2 3.34Å; E480-M484 WeakPolarHBondContact O-CB 3.4Å; E480-M484 VanDerWaalsContact O-CG 3.3Å; E480-M484 WeakPolarHBondContact O-CG 3.26Å; E480-M484 PolarHBondContact O-N 2.96Å; E480-V599 HydrophobicContact CB-CG1 4.16Å; E480-V599 HydrophobicContact CG-CG1 3.88Å |
| 481 | H | 93.4 | Very high | 92.2 | Very high | 103 Ų | 103 | 95.6 Ų | 95.6 | 48% | 0.477 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 175.9 | 179.1 | -161.3 | 0 | 0 | 0 | 111.8 | K477 L478 D479 M484 R485 | K477-H481 WeakPolarHBondContact O-CB 3.26Å; K477-H481 PolarHBondContact O-N 3.02Å; L478-H481 WeakPolarHBondContact O-CB 3.5Å; L478-H481 PolarHBondContact O-N 3.44Å; L478-H481 VanDerWaalsContact O-N 3.12Å; D479-H481 VanDerWaalsContact C-N 3.35Å; D479-H481 PolarHBondContact O-N 3.26Å; H481-M484 PolarHBondContact O-N 3.33Å; H481-R485 PolarHBondContact CE1-NH2 3.3Å; H481-R485 PolarHBondContact O-N 2.9Å |
| 482 | D | 94.1 | Very high | 92 | Very high | 66 Ų | 66 | 94.9 Ų | 94.9 | 35% | 0.353 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.1 | -37.7 | 176.7 | -75.2 | -28.3 | 0 | 0 | 0 | 111.4 | L478 D479 R485 Q486 | L478-D482 PolarHBondContact O-N 3.42Å; D479-D482 PolarHBondContact O-N 3.4Å; D482-R485 PolarHBondContact O-N 3.31Å; D482-R485 IonicContact OD1-CZ 3.42Å; D482-R485 IonicContact OD1-NH1 3.46Å; D482-R485 PolarHBondContact OD1-NH1 2.95Å; D482-R485 IonicContact OD1-NH2 2.82Å; D482-Q486 WeakPolarHBondContact O-CG 3.49Å; D482-Q486 PolarHBondContact O-N 2.96Å |
| 483 | R | 92.4 | Very high | 91.7 | Very high | 102 Ų | 102 | 94.5 Ų | 94.5 | 39% | 0.385 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 171.2 | -171.9 | -175.1 | 78.2 | 81.9 | 4 | 111.9 | D479 E480 Q486 S487 | D479-R483 WeakPolarHBondContact O-CB 3.32Å; D479-R483 PolarHBondContact O-N 2.9Å; E480-R483 PolarHBondContact O-N 3.24Å; E480-R483 IonicContact OE1-CZ 3.63Å; E480-R483 IonicContact OE1-NE 2.94Å; E480-R483 IonicContact OE1-NH2 3.48Å; E480-R483 PolarHBondContact OE1-NH2 3.4Å; E480-R483 IonicContact OE2-CZ 3.59Å; E480-R483 IonicContact OE2-NE 3.6Å; E480-R483 PolarHBondContact OE2-NE 3.02Å; E480-R483 IonicContact OE2-NH2 3.51Å; E480-R483 PolarHBondContact OE2-NH2 3.34Å; R483-Q486 PolarHBondContact O-N 2.6Å; R483-S487 PolarHBondContact O-N 3.11Å |
| 484 | M | 90.3 | Very high | 91.4 | Very high | 81 Ų | 81 | 92.4 Ų | 92.4 | 40% | 0.399 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.6 | -76 | -62.8 | -59.7 | 0 | 0 | 111.5 | E480 H481 Q486 S487 E488 | E480-M484 WeakPolarHBondContact O-CB 3.4Å; E480-M484 VanDerWaalsContact O-CG 3.3Å; E480-M484 WeakPolarHBondContact O-CG 3.26Å; E480-M484 PolarHBondContact O-N 2.96Å; H481-M484 PolarHBondContact O-N 3.33Å; M484-Q486 VanDerWaalsContact C-N 3.33Å; M484-Q486 PolarHBondContact O-N 3.42Å; M484-S487 WeakPolarHBondContact O-CB 3.41Å; M484-S487 PolarHBondContact O-N 3.38Å; M484-E488 WeakPolarHBondContact O-CG 3.44Å; M484-E488 PolarHBondContact O-N 2.83Å |
| 485 | R | 93.1 | Very high | 90.9 | Very high | 110 Ų | 110 | 88.8 Ų | 88.8 | 42% | 0.415 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 175.8 | -171 | -171.4 | -62.6 | 134.1 | 11 | 111.9 | H481 D482 E488 L489 | H481-R485 PolarHBondContact CE1-NH2 3.3Å; H481-R485 PolarHBondContact O-N 2.9Å; D482-R485 PolarHBondContact O-N 3.31Å; D482-R485 IonicContact OD1-CZ 3.42Å; D482-R485 IonicContact OD1-NH1 3.46Å; D482-R485 PolarHBondContact OD1-NH1 2.95Å; D482-R485 IonicContact OD1-NH2 2.82Å; R485-E488 PolarHBondContact O-N 3.45Å; R485-L489 HydrophobicContact CG-CD1 4.41Å; R485-L489 VanDerWaalsContact O-CG 3.31Å; R485-L489 WeakPolarHBondContact O-CG 3.27Å; R485-L489 PolarHBondContact O-N 3.24Å |
| 486 | Q | 90.9 | Very high | 90.5 | Very high | 136 Ų | 136 | 90.8 Ų | 90.8 | 64% | 0.636 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.4 | -45.5 | 176.3 | -73.2 | 173.9 | 8.4 | 0 | 0 | 111.9 | D482 R483 M484 E488 L489 E490 | D482-Q486 WeakPolarHBondContact O-CG 3.49Å; D482-Q486 PolarHBondContact O-N 2.96Å; R483-Q486 PolarHBondContact O-N 2.6Å; M484-Q486 VanDerWaalsContact C-N 3.33Å; M484-Q486 PolarHBondContact O-N 3.42Å; Q486-E488 VanDerWaalsContact C-N 3.31Å; Q486-E488 PolarHBondContact O-N 3.4Å; Q486-L489 PolarHBondContact O-N 3.02Å; Q486-E490 PolarHBondContact O-N 2.68Å |
| 487 | S | 89.3 | Confident | 89.9 | Confident | 63 Ų | 63 | 89.2 Ų | 89.2 | 44% | 0.441 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 175.5 | 179.3 | 0 | 0 | 0 | 0 | 112.3 | R483 M484 K491 | R483-S487 PolarHBondContact O-N 3.11Å; M484-S487 WeakPolarHBondContact O-CB 3.41Å; M484-S487 PolarHBondContact O-N 3.38Å; S487-K491 WeakPolarHBondContact O-CB 3.49Å; S487-K491 PolarHBondContact O-N 3.28Å |
| 488 | E | 89 | Confident | 89.3 | Confident | 114 Ų | 114 | 84.3 Ų | 84.3 | 53% | 0.533 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 175.7 | -74.2 | 174.6 | 168.9 | 0 | 0 | 112.5 | M484 R485 Q486 K491 D492 | M484-E488 WeakPolarHBondContact O-CG 3.44Å; M484-E488 PolarHBondContact O-N 2.83Å; R485-E488 PolarHBondContact O-N 3.45Å; Q486-E488 VanDerWaalsContact C-N 3.31Å; Q486-E488 PolarHBondContact O-N 3.4Å; E488-K491 WeakPolarHBondContact O-CB 3.4Å; E488-K491 PolarHBondContact O-N 2.96Å; E488-D492 PolarHBondContact O-N 3.38Å |
| 489 | L | 90.4 | Very high | 88.5 | Confident | 113 Ų | 113 | 89.2 Ų | 89.2 | 59% | 0.592 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.9 | -38.4 | 176.3 | -72.3 | 171.9 | 0 | 0 | 0 | 112.2 | R485 Q486 D492 L493 | R485-L489 HydrophobicContact CG-CD1 4.41Å; R485-L489 VanDerWaalsContact O-CG 3.31Å; R485-L489 WeakPolarHBondContact O-CG 3.27Å; R485-L489 PolarHBondContact O-N 3.24Å; Q486-L489 PolarHBondContact O-N 3.02Å; L489-D492 PolarHBondContact O-N 3.45Å; L489-L493 WeakPolarHBondContact O-CB 3.31Å; L489-L493 PolarHBondContact O-N 3.48Å |
| 490 | E | 89 | Confident | 87.1 | Confident | 129 Ų | 129 | 86.5 Ų | 86.5 | 60% | 0.603 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 173.4 | -173.8 | 175 | -175.7 | 0 | 0 | 111.2 | Q486 D492 L493 I494 | Q486-E490 PolarHBondContact O-N 2.68Å; E490-D492 PolarHBondContact O-N 3.02Å; E490-L493 WeakPolarHBondContact O-CB 3.12Å; E490-L493 PolarHBondContact O-N 2.83Å; E490-I494 HydrophobicContact CG-CD1 4.21Å; E490-I494 VanDerWaalsContact O-CG1 3.32Å; E490-I494 WeakPolarHBondContact O-CG1 3.39Å; E490-I494 PolarHBondContact O-N 3.03Å |
| 491 | K | 88.4 | Confident | 85.1 | Confident | 70 Ų | 70 | 95.8 Ų | 95.8 | 30% | 0.304 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 173.9 | -163 | 179.2 | 87.3 | 92.3 | 0 | 112.1 | S487 E488 I494 L495 I519 D523 | S487-K491 WeakPolarHBondContact O-CB 3.49Å; S487-K491 PolarHBondContact O-N 3.28Å; E488-K491 WeakPolarHBondContact O-CB 3.4Å; E488-K491 PolarHBondContact O-N 2.96Å; K491-I494 PolarHBondContact O-N 2.83Å; K491-L495 WeakPolarHBondContact O-CG 3.41Å; K491-L495 PolarHBondContact O-N 3.26Å; K491-I519 HydrophobicContact CD-CG2 3.73Å; K491-I519 HydrophobicContact CG-CD1 4.15Å; K491-I519 HydrophobicContact CG-CG2 3.59Å; K491-D523 IonicContact NZ-OD2 2.68Å; K491-D523 PolarHBondContact NZ-OD2 2.77Å |
| 492 | D | 87.7 | Confident | 83.6 | Confident | 94 Ų | 94 | 93.9 Ų | 93.9 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 176.9 | -171.8 | 56.2 | 0 | 0 | 0 | 112 | E488 L489 E490 I494 L495 K496 | E488-D492 PolarHBondContact O-N 3.38Å; L489-D492 PolarHBondContact O-N 3.45Å; E490-D492 PolarHBondContact O-N 3.02Å; D492-I494 VanDerWaalsContact C-N 3.34Å; D492-I494 PolarHBondContact O-N 3.3Å; D492-L495 PolarHBondContact O-N 2.89Å; D492-K496 WeakPolarHBondContact O-CB 3.5Å; D492-K496 PolarHBondContact O-N 3.45Å |
| 493 | L | 86.8 | Confident | 81.8 | Confident | 109 Ų | 109 | 102.4 Ų | 102.4 | 57% | 0.571 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.2 | -42.7 | 174.2 | -177.6 | 64.8 | 0 | 0 | 0 | 111.4 | L489 E490 K496 A497 | L489-L493 WeakPolarHBondContact O-CB 3.31Å; L489-L493 PolarHBondContact O-N 3.48Å; E490-L493 WeakPolarHBondContact O-CB 3.12Å; E490-L493 PolarHBondContact O-N 2.83Å; L493-K496 PolarHBondContact O-N 2.88Å; L493-A497 VanDerWaalsContact O-CB 3.26Å; L493-A497 WeakPolarHBondContact O-CB 3.2Å; L493-A497 PolarHBondContact O-N 2.79Å |
| 494 | I | 84 | Confident | 80.1 | Confident | 16 Ų | 16 | 103.8 Ų | 103.8 | 8% | 0.082 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -63 | -46.9 | 176 | -66.2 | 161.3 | 0 | 0 | 0 | 110.8 | E490 K491 D492 K496 A497 A498 M512 M515 A516 I519 | E490-I494 HydrophobicContact CG-CD1 4.21Å; E490-I494 VanDerWaalsContact O-CG1 3.32Å; E490-I494 WeakPolarHBondContact O-CG1 3.39Å; E490-I494 PolarHBondContact O-N 3.03Å; K491-I494 PolarHBondContact O-N 2.83Å; D492-I494 VanDerWaalsContact C-N 3.34Å; D492-I494 PolarHBondContact O-N 3.3Å; I494-K496 VanDerWaalsContact C-N 3.34Å; I494-K496 PolarHBondContact O-N 3.33Å; I494-A497 PolarHBondContact O-N 2.7Å; I494-A498 WeakPolarHBondContact O-CB 3.41Å; I494-A498 PolarHBondContact O-N 2.97Å; I494-M512 HydrophobicContact CB-CE 4.16Å; I494-M512 HydrophobicContact CG1-CE 3.71Å; I494-M512 HydrophobicContact CG1-SD 4.28Å; I494-M512 HydrophobicContact CG2-CE 4.45Å; I494-M515 HydrophobicContact CD1-CG 4.06Å; I494-M515 HydrophobicContact CG2-CB 4.02Å; I494-M515 HydrophobicContact CG2-CG 3.92Å; I494-A516 HydrophobicContact CG2-CB 4.03Å; I494-I519 HydrophobicContact CB-CD1 4.25Å; I494-I519 HydrophobicContact CD1-CD1 3.96Å; I494-I519 HydrophobicContact CG2-CD1 3.89Å |
| 495 | L | 83.1 | Confident | 78.5 | Confident | 50 Ų | 50 | 104.9 Ų | 104.9 | 26% | 0.262 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 176.7 | -75 | 166.8 | 0 | 0 | 0 | 112.3 | K491 D492 A498 K499 A516 | K491-L495 WeakPolarHBondContact O-CG 3.41Å; K491-L495 PolarHBondContact O-N 3.26Å; D492-L495 PolarHBondContact O-N 2.89Å; L495-A498 PolarHBondContact O-N 3.46Å; L495-K499 WeakPolarHBondContact O-CG 3.09Å; L495-K499 PolarHBondContact O-N 3.07Å; L495-K499 VanDerWaalsContact O-N 3.08Å; L495-A516 HydrophobicContact CD2-CB 4.26Å |
| 496 | K | 86 | Confident | 77.3 | Confident | 146 Ų | 146 | 104.7 Ų | 104.7 | 64% | 0.635 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.7 | -40.4 | 177.8 | -171.8 | 171.7 | -176.7 | 172.9 | 0 | 111.9 | D492 L493 I494 K499 S500 | D492-K496 WeakPolarHBondContact O-CB 3.5Å; D492-K496 PolarHBondContact O-N 3.45Å; L493-K496 PolarHBondContact O-N 2.88Å; I494-K496 VanDerWaalsContact C-N 3.34Å; I494-K496 PolarHBondContact O-N 3.33Å; K496-K499 PolarHBondContact O-N 2.92Å; K496-S500 PolarHBondContact O-N 3.21Å |
| 497 | A | 81.9 | Confident | 76.5 | Confident | 27 Ų | 27 | 102.1 Ų | 102.1 | 22% | 0.223 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L493 I494 K499 S500 M512 | L493-A497 VanDerWaalsContact O-CB 3.26Å; L493-A497 WeakPolarHBondContact O-CB 3.2Å; L493-A497 PolarHBondContact O-N 2.79Å; I494-A497 PolarHBondContact O-N 2.7Å; A497-K499 VanDerWaalsContact C-N 3.32Å; A497-K499 PolarHBondContact O-N 2.86Å; A497-S500 WeakPolarHBondContact O-CB 3.39Å; A497-S500 PolarHBondContact O-N 3.41Å; A497-S500 VanDerWaalsContact O-N 3.11Å; A497-S500 PolarHBondContact O-OG 2.96Å; A497-M512 HydrophobicContact CB-CB 4.41Å; A497-M512 HydrophobicContact CB-CE 3.75Å |
| 498 | A | 80.8 | Confident | 75.7 | Confident | 17 Ų | 17 | 104.9 Ų | 104.9 | 14% | 0.14 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -68.1 | -28.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I494 L495 S500 R513 A516 | I494-A498 WeakPolarHBondContact O-CB 3.41Å; I494-A498 PolarHBondContact O-N 2.97Å; L495-A498 PolarHBondContact O-N 3.46Å; A498-S500 VanDerWaalsContact C-N 3.27Å; A498-R513 HydrophobicContact CB-CB 4.39Å; A498-A516 HydrophobicContact CB-CB 3.33Å |
| 499 | K | 78.8 | Confident | 74.9 | Confident | 169 Ų | 169 | 101.2 Ų | 101.2 | 74% | 0.735 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -73.9 | -16 | 172.4 | -77.1 | 176.8 | 177.7 | 178 | 0 | 113.1 | L495 K496 A497 R501 | L495-K499 WeakPolarHBondContact O-CG 3.09Å; L495-K499 PolarHBondContact O-N 3.07Å; L495-K499 VanDerWaalsContact O-N 3.08Å; K496-K499 PolarHBondContact O-N 2.92Å; A497-K499 VanDerWaalsContact C-N 3.32Å; A497-K499 PolarHBondContact O-N 2.86Å; K499-R501 PolarHBondContact O-N 3.24Å |
| 500 | S | 64.5 | Low | 74.3 | Confident | 54 Ų | 54 | 100.2 Ų | 100.2 | 38% | 0.378 | 49% | 0.485 | S | S | . | . | trans | -68 | 115.8 | 175.4 | 72.2 | 0 | 0 | 0 | 0 | 109.9 | K496 A497 A498 S502 Q509 | K496-S500 PolarHBondContact O-N 3.21Å; A497-S500 WeakPolarHBondContact O-CB 3.39Å; A497-S500 PolarHBondContact O-N 3.41Å; A497-S500 VanDerWaalsContact O-N 3.11Å; A497-S500 PolarHBondContact O-OG 2.96Å; A498-S500 VanDerWaalsContact C-N 3.27Å; S500-S502 PolarHBondContact O-N 2.92Å; S500-Q509 PolarHBondContact OG-NE2 2.6Å | ||
| 501 | R | 54.2 | Low | 74 | Confident | 242 Ų | 242 | 100 Ų | 100 | 91% | 0.913 | 48% | 0.484 | S | S | * | . | trans | -88.3 | 87.1 | 176.4 | -71.8 | 178.7 | 168 | -167.5 | -3.9 | 108.6 | K499 | K499-R501 PolarHBondContact O-N 3.24Š| ||
| 502 | S | 61.3 | Low | 73.4 | Confident | 63 Ų | 63 | 98.6 Ų | 98.6 | 44% | 0.441 | 48% | 0.479 | S | S | . | . | trans | -104.4 | 134.5 | 157.6 | 41 | 0 | 0 | 0 | 0 | 109.2 | S500 N504 Q509 | S500-S502 PolarHBondContact O-N 2.92Å; S502-N504 PolarHBondContact O-N 3.47Å; S502-Q509 VanDerWaalsContact OG-CD 3.23Å; S502-Q509 PolarHBondContact OG-NE2 3.45Å; S502-Q509 PolarHBondContact OG-OE1 2.88Å | ||
| 503 | R | 55 | Low | 73 | Confident | 246 Ų | 246 | 99 Ų | 99 | 93% | 0.928 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -75.5 | -4.3 | -173.7 | -159.4 | 172.9 | 103.1 | 175.5 | 7.2 | 113.1 | ||
| 504 | N | 57.9 | Low | 72.9 | Confident | 130 Ų | 130 | 97.5 Ų | 97.5 | 70% | 0.695 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -109.3 | 107.6 | -179.8 | -65.6 | 21.8 | 0 | 0 | 0 | 107.6 | S502 D506 | S502-N504 PolarHBondContact O-N 3.47Å; N504-D506 PolarHBondContact O-N 3.26Å |
| 505 | E | 56.3 | Low | 72.9 | Confident | 105 Ų | 105 | 101 Ų | 101 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | trans | -69 | 93.3 | 177.6 | -78.1 | -97.5 | 141.2 | 0 | 0 | 109.9 | M510 R513 | E505-M510 WeakPolarHBondContact OE2-CB 3.31Å; E505-R513 IonicContact OE1-NH1 3.66Å; E505-R513 PolarHBondContact OE1-NH1 3.38Å | ||
| 506 | D | 68.6 | Low | 72.9 | Confident | 106 Ų | 106 | 99 Ų | 99 | 57% | 0.567 | 47% | 0.471 | S | S | * | . | trans | -75.4 | 135.4 | 166.2 | -146 | 16.1 | 0 | 0 | 0 | 107.6 | N504 H508 Q509 M510 | N504-D506 PolarHBondContact O-N 3.26Å; D506-H508 PolarHBondContact O-N 3.42Å; D506-Q509 HydrophobicContact CB-CB 4.33Å; D506-Q509 WeakPolarHBondContact O-CA 3.36Å; D506-Q509 WeakPolarHBondContact O-CB 3.44Å; D506-Q509 PolarHBondContact O-N 3.29Å; D506-M510 PolarHBondContact O-N 2.99Å; D506-M510 VanDerWaalsContact O-N 3.1Å | ||
| 507 | P | 73.4 | Confident | 73 | Confident | 81 Ų | 81 | 99.3 Ų | 99.3 | 53% | 0.526 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -56.6 | -31.8 | -173.7 | 20.1 | -33 | 0 | 0 | 0 | 113.1 | M510 Q511 | P507-M510 PolarHBondContact O-N 3.48Å; P507-Q511 WeakPolarHBondContact O-CG 3.47Å; P507-Q511 PolarHBondContact O-N 2.95Å; P507-Q511 VanDerWaalsContact O-N 3.08Å |
| 508 | H | 73.5 | Confident | 73.3 | Confident | 122 Ų | 122 | 103.7 Ų | 103.7 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.3 | -35 | 174.4 | -168.6 | -94.9 | 0 | 0 | 0 | 112.3 | D506 Q511 M512 | D506-H508 PolarHBondContact O-N 3.42Å; H508-Q511 PolarHBondContact O-N 2.87Å; H508-M512 WeakPolarHBondContact O-CG 3.35Å; H508-M512 PolarHBondContact O-N 3.3Å |
| 509 | Q | 72.4 | Confident | 73.5 | Confident | 37 Ų | 37 | 103.6 Ų | 103.6 | 17% | 0.173 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -74 | -34.9 | 177.6 | -162.7 | 172.7 | 39.4 | 0 | 0 | 112 | S500 S502 D506 M512 R513 | S500-Q509 PolarHBondContact OG-NE2 2.6Å; S502-Q509 VanDerWaalsContact OG-CD 3.23Å; S502-Q509 PolarHBondContact OG-NE2 3.45Å; S502-Q509 PolarHBondContact OG-OE1 2.88Å; D506-Q509 HydrophobicContact CB-CB 4.33Å; D506-Q509 WeakPolarHBondContact O-CA 3.36Å; D506-Q509 WeakPolarHBondContact O-CB 3.44Å; D506-Q509 PolarHBondContact O-N 3.29Å; Q509-M512 PolarHBondContact O-N 3.27Å; Q509-R513 WeakPolarHBondContact O-CB 3.42Å; Q509-R513 PolarHBondContact O-N 3.45Å |
| 510 | M | 77.1 | Confident | 73.8 | Confident | 91 Ų | 91 | 98 Ų | 98 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 170.7 | -179.7 | 170.9 | 37.6 | 0 | 0 | 111.2 | E505 D506 P507 M512 R513 E514 | E505-M510 WeakPolarHBondContact OE2-CB 3.31Å; D506-M510 PolarHBondContact O-N 2.99Å; D506-M510 VanDerWaalsContact O-N 3.1Å; P507-M510 PolarHBondContact O-N 3.48Å; M510-M512 VanDerWaalsContact C-N 3.35Å; M510-M512 PolarHBondContact O-N 2.88Å; M510-R513 PolarHBondContact O-N 3.34Å; M510-E514 WeakPolarHBondContact O-CB 3.44Å; M510-E514 PolarHBondContact O-N 3.27Å |
| 511 | Q | 81.3 | Confident | 75 | Confident | 126 Ų | 126 | 98.7 Ų | 98.7 | 59% | 0.589 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.2 | -43.7 | 173.8 | -75.1 | -177.5 | 2.2 | 0 | 0 | 111.9 | P507 H508 R513 E514 M515 | P507-Q511 WeakPolarHBondContact O-CG 3.47Å; P507-Q511 PolarHBondContact O-N 2.95Å; P507-Q511 VanDerWaalsContact O-N 3.08Å; H508-Q511 PolarHBondContact O-N 2.87Å; Q511-R513 PolarHBondContact O-N 3.21Å; Q511-E514 PolarHBondContact O-N 2.99Å; Q511-M515 VanDerWaalsContact O-CB 3.31Å; Q511-M515 WeakPolarHBondContact O-CB 3.28Å; Q511-M515 PolarHBondContact O-N 2.75Å |
| 512 | M | 76.5 | Confident | 76.7 | Confident | 39 Ų | 39 | 91.3 Ų | 91.3 | 19% | 0.192 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 177.9 | -67.5 | -66.5 | -80.2 | 0 | 0 | 112.4 | I494 A497 H508 Q509 M510 A516 | I494-M512 HydrophobicContact CB-CE 4.16Å; I494-M512 HydrophobicContact CG1-CE 3.71Å; I494-M512 HydrophobicContact CG1-SD 4.28Å; I494-M512 HydrophobicContact CG2-CE 4.45Å; A497-M512 HydrophobicContact CB-CB 4.41Å; A497-M512 HydrophobicContact CB-CE 3.75Å; H508-M512 WeakPolarHBondContact O-CG 3.35Å; H508-M512 PolarHBondContact O-N 3.3Å; Q509-M512 PolarHBondContact O-N 3.27Å; M510-M512 VanDerWaalsContact C-N 3.35Å; M510-M512 PolarHBondContact O-N 2.88Å; M512-A516 VanDerWaalsContact O-CB 3.26Å; M512-A516 WeakPolarHBondContact O-CB 3.31Å; M512-A516 PolarHBondContact O-N 2.83Å |
| 513 | R | 80 | Confident | 77.9 | Confident | 104 Ų | 104 | 90.6 Ų | 90.6 | 39% | 0.392 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.8 | -35.7 | 174.5 | -178.8 | -179.1 | -98.4 | 167.7 | -7.7 | 112.3 | A498 E505 Q509 M510 Q511 R517 | A498-R513 HydrophobicContact CB-CB 4.39Å; E505-R513 IonicContact OE1-NH1 3.66Å; E505-R513 PolarHBondContact OE1-NH1 3.38Å; Q509-R513 WeakPolarHBondContact O-CB 3.42Å; Q509-R513 PolarHBondContact O-N 3.45Å; M510-R513 PolarHBondContact O-N 3.34Å; Q511-R513 PolarHBondContact O-N 3.21Å; R513-R517 WeakPolarHBondContact O-CG 3.44Å; R513-R517 PolarHBondContact O-N 3.44Å |
| 514 | E | 84.5 | Confident | 79.5 | Confident | 77 Ų | 77 | 86.9 Ų | 86.9 | 36% | 0.36 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 171.4 | -170 | -173.4 | 156.7 | 0 | 0 | 111.1 | M510 Q511 A516 R517 R518 | M510-E514 WeakPolarHBondContact O-CB 3.44Å; M510-E514 PolarHBondContact O-N 3.27Å; Q511-E514 PolarHBondContact O-N 2.99Å; E514-A516 VanDerWaalsContact C-N 3.33Å; E514-A516 PolarHBondContact O-N 2.85Å; E514-R517 WeakPolarHBondContact O-CB 3.39Å; E514-R517 PolarHBondContact O-N 2.95Å; E514-R517 VanDerWaalsContact O-N 3.11Å; E514-R518 PolarHBondContact O-N 3.47Å; E514-R518 IonicContact OE1-CZ 2.79Å; E514-R518 IonicContact OE1-NE 2.73Å; E514-R518 PolarHBondContact OE1-NE 3.41Å; E514-R518 IonicContact OE1-NH2 3.03Å; E514-R518 PolarHBondContact OE1-NH2 3.28Å |
| 515 | M | 83.5 | Confident | 81.1 | Confident | 90 Ų | 90 | 86.9 Ų | 86.9 | 44% | 0.443 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 176.9 | -172.5 | 61.6 | -177.7 | 0 | 0 | 111.3 | I494 Q511 R517 R518 I519 | I494-M515 HydrophobicContact CD1-CG 4.06Å; I494-M515 HydrophobicContact CG2-CB 4.02Å; I494-M515 HydrophobicContact CG2-CG 3.92Å; Q511-M515 VanDerWaalsContact O-CB 3.31Å; Q511-M515 WeakPolarHBondContact O-CB 3.28Å; Q511-M515 PolarHBondContact O-N 2.75Å; M515-R517 PolarHBondContact O-N 3.32Å; M515-R518 PolarHBondContact O-N 2.93Å; M515-I519 HydrophobicContact CE-CD1 4.05Å; M515-I519 HydrophobicContact CE-CG1 4.2Å; M515-I519 HydrophobicContact CG-CD1 3.99Å; M515-I519 WeakPolarHBondContact O-CB 3.19Å; M515-I519 VanDerWaalsContact O-CG1 3.29Å; M515-I519 WeakPolarHBondContact O-CG1 3.41Å; M515-I519 PolarHBondContact O-N 3.26Å |
| 516 | A | 84.4 | Confident | 82.7 | Confident | 8 Ų | 8 | 87.3 Ų | 87.3 | 7% | 0.066 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I494 L495 A498 M512 E514 A520 | I494-A516 HydrophobicContact CG2-CB 4.03Å; L495-A516 HydrophobicContact CD2-CB 4.26Å; A498-A516 HydrophobicContact CB-CB 3.33Å; M512-A516 VanDerWaalsContact O-CB 3.26Å; M512-A516 WeakPolarHBondContact O-CB 3.31Å; M512-A516 PolarHBondContact O-N 2.83Å; E514-A516 VanDerWaalsContact C-N 3.33Å; E514-A516 PolarHBondContact O-N 2.85Å; A516-A520 WeakPolarHBondContact O-CB 3.21Å; A516-A520 PolarHBondContact O-N 3.35Å |
| 517 | R | 86.4 | Confident | 83.6 | Confident | 152 Ų | 152 | 86.8 Ų | 86.8 | 57% | 0.574 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.5 | -44.1 | 173.6 | -81.2 | -175.5 | -73.5 | 150.2 | -4.4 | 111.3 | R513 E514 M515 A520 S521 | R513-R517 WeakPolarHBondContact O-CG 3.44Å; R513-R517 PolarHBondContact O-N 3.44Å; E514-R517 WeakPolarHBondContact O-CB 3.39Å; E514-R517 PolarHBondContact O-N 2.95Å; E514-R517 VanDerWaalsContact O-N 3.11Å; M515-R517 PolarHBondContact O-N 3.32Å; R517-A520 PolarHBondContact O-N 3.29Å; R517-S521 WeakPolarHBondContact O-CB 3.43Å; R517-S521 PolarHBondContact O-N 2.94Å; R517-S521 PolarHBondContact O-OG 3.24Å |
| 518 | R | 88.3 | Confident | 84.5 | Confident | 119 Ų | 119 | 89.4 Ų | 89.4 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 176.6 | -70.7 | -164.7 | -170.2 | -165.9 | 6.1 | 112.1 | E514 M515 A520 S521 E522 | E514-R518 PolarHBondContact O-N 3.47Å; E514-R518 IonicContact OE1-CZ 2.79Å; E514-R518 IonicContact OE1-NE 2.73Å; E514-R518 PolarHBondContact OE1-NE 3.41Å; E514-R518 IonicContact OE1-NH2 3.03Å; E514-R518 PolarHBondContact OE1-NH2 3.28Å; M515-R518 PolarHBondContact O-N 2.93Å; R518-A520 VanDerWaalsContact C-N 3.29Å; R518-A520 PolarHBondContact O-N 3.37Å; R518-S521 PolarHBondContact O-N 2.86Å; R518-E522 WeakPolarHBondContact O-CB 3.45Å; R518-E522 PolarHBondContact O-N 2.95Å |
| 519 | I | 86.1 | Confident | 85.4 | Confident | 14 Ų | 14 | 90.5 Ų | 90.5 | 7% | 0.072 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -56.3 | -44.9 | 176.1 | -71 | 163 | 0 | 0 | 0 | 110.5 | K491 I494 M515 D523 | K491-I519 HydrophobicContact CD-CG2 3.73Å; K491-I519 HydrophobicContact CG-CD1 4.15Å; K491-I519 HydrophobicContact CG-CG2 3.59Å; I494-I519 HydrophobicContact CB-CD1 4.25Å; I494-I519 HydrophobicContact CD1-CD1 3.96Å; I494-I519 HydrophobicContact CG2-CD1 3.89Å; M515-I519 HydrophobicContact CE-CD1 4.05Å; M515-I519 HydrophobicContact CE-CG1 4.2Å; M515-I519 HydrophobicContact CG-CD1 3.99Å; M515-I519 WeakPolarHBondContact O-CB 3.19Å; M515-I519 VanDerWaalsContact O-CG1 3.29Å; M515-I519 WeakPolarHBondContact O-CG1 3.41Å; M515-I519 PolarHBondContact O-N 3.26Å; I519-D523 WeakPolarHBondContact O-CB 3.37Å; I519-D523 VanDerWaalsContact O-CG 3.23Å; I519-D523 PolarHBondContact O-N 3.36Å |
| 520 | A | 85.6 | Confident | 86.4 | Confident | 52 Ų | 52 | 93.4 Ų | 93.4 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.7 | -41.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | A516 R517 R518 Y524 | A516-A520 WeakPolarHBondContact O-CB 3.21Å; A516-A520 PolarHBondContact O-N 3.35Å; R517-A520 PolarHBondContact O-N 3.29Å; R518-A520 VanDerWaalsContact C-N 3.29Å; R518-A520 PolarHBondContact O-N 3.37Å; A520-Y524 WeakPolarHBondContact O-CB 3.45Å; A520-Y524 PolarHBondContact O-N 2.86Å |
| 521 | S | 89.3 | Confident | 87.2 | Confident | 68 Ų | 68 | 94 Ų | 94 | 48% | 0.476 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 175.2 | -69.9 | 0 | 0 | 0 | 0 | 111.7 | R517 R518 Y524 E525 | R517-S521 WeakPolarHBondContact O-CB 3.43Å; R517-S521 PolarHBondContact O-N 2.94Å; R517-S521 PolarHBondContact O-OG 3.24Å; R518-S521 PolarHBondContact O-N 2.86Å; S521-Y524 PolarHBondContact O-N 2.97Å; S521-E525 WeakPolarHBondContact O-CB 3.33Å; S521-E525 WeakPolarHBondContact O-CG 3.29Å; S521-E525 PolarHBondContact O-N 2.89Å |
| 522 | E | 88.9 | Confident | 87.7 | Confident | 87 Ų | 87 | 90.8 Ų | 90.8 | 41% | 0.407 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 177.9 | -164.6 | -163.3 | 147 | 0 | 0 | 111.8 | R518 E525 R526 | R518-E522 WeakPolarHBondContact O-CB 3.45Å; R518-E522 PolarHBondContact O-N 2.95Å; E522-E525 PolarHBondContact O-N 2.96Å; E522-R526 WeakPolarHBondContact O-CB 3.5Å; E522-R526 WeakPolarHBondContact O-CG 3.44Å; E522-R526 PolarHBondContact O-N 3.39Å; E522-R526 IonicContact OE1-CZ 3.56Å; E522-R526 VanDerWaalsContact OE1-CZ 3.31Å; E522-R526 IonicContact OE1-NE 3.31Å; E522-R526 PolarHBondContact OE1-NE 3.02Å; E522-R526 IonicContact OE1-NH2 2.7Å; E522-R526 PolarHBondContact OE1-NH2 2.99Å; E522-R526 IonicContact OE2-NH2 3.41Å |
| 523 | D | 86.3 | Confident | 88.4 | Confident | 48 Ų | 48 | 93.3 Ų | 93.3 | 26% | 0.257 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 174.8 | -75.5 | -11.3 | 0 | 0 | 0 | 111.3 | K491 I519 R526 E527 | K491-D523 IonicContact NZ-OD2 2.68Å; K491-D523 PolarHBondContact NZ-OD2 2.77Å; I519-D523 WeakPolarHBondContact O-CB 3.37Å; I519-D523 VanDerWaalsContact O-CG 3.23Å; I519-D523 PolarHBondContact O-N 3.36Å; D523-R526 IonicContact OD1-CZ 3.03Å; D523-R526 VanDerWaalsContact OD1-CZ 3.31Å; D523-R526 IonicContact OD1-NH1 3.31Å; D523-R526 PolarHBondContact OD1-NH1 3.11Å; D523-R526 IonicContact OD1-NH2 2.86Å; D523-R526 PolarHBondContact OD1-NH2 3Å; D523-E527 WeakPolarHBondContact O-CB 3.45Å; D523-E527 PolarHBondContact O-N 3.26Å |
| 524 | Y | 89.6 | Confident | 89 | Confident | 169 Ų | 169 | 91.9 Ų | 91.9 | 66% | 0.663 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.3 | -42.8 | 175.8 | 177.6 | -102.2 | 0 | 0 | 0 | 112.6 | A520 S521 E527 K528 | A520-Y524 WeakPolarHBondContact O-CB 3.45Å; A520-Y524 PolarHBondContact O-N 2.86Å; S521-Y524 PolarHBondContact O-N 2.97Å; Y524-E527 PolarHBondContact O-N 3.48Å; Y524-K528 WeakPolarHBondContact O-CB 3.34Å; Y524-K528 PolarHBondContact O-N 3.42Å |
| 525 | E | 90.2 | Very high | 89.4 | Confident | 130 Ų | 130 | 92.9 Ų | 92.9 | 61% | 0.607 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.2 | -42.1 | 177 | -75.5 | 177.5 | -172.2 | 0 | 0 | 112.1 | S521 E522 E527 K528 Q529 | S521-E525 WeakPolarHBondContact O-CB 3.33Å; S521-E525 WeakPolarHBondContact O-CG 3.29Å; S521-E525 PolarHBondContact O-N 2.89Å; E522-E525 PolarHBondContact O-N 2.96Å; E525-E527 VanDerWaalsContact C-N 3.34Å; E525-E527 PolarHBondContact O-N 2.9Å; E525-K528 PolarHBondContact O-N 3.2Å; E525-Q529 WeakPolarHBondContact O-CB 3.17Å; E525-Q529 PolarHBondContact O-N 3.3Å |
| 526 | R | 90 | Very high | 89.7 | Confident | 114 Ų | 114 | 90.6 Ų | 90.6 | 43% | 0.43 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 175.4 | -82.5 | -164.9 | -103.6 | 89.6 | -1.6 | 111.8 | E522 D523 Q529 H530 | E522-R526 WeakPolarHBondContact O-CB 3.5Å; E522-R526 WeakPolarHBondContact O-CG 3.44Å; E522-R526 PolarHBondContact O-N 3.39Å; E522-R526 IonicContact OE1-CZ 3.56Å; E522-R526 VanDerWaalsContact OE1-CZ 3.31Å; E522-R526 IonicContact OE1-NE 3.31Å; E522-R526 PolarHBondContact OE1-NE 3.02Å; E522-R526 IonicContact OE1-NH2 2.7Å; E522-R526 PolarHBondContact OE1-NH2 2.99Å; E522-R526 IonicContact OE2-NH2 3.41Å; D523-R526 IonicContact OD1-CZ 3.03Å; D523-R526 VanDerWaalsContact OD1-CZ 3.31Å; D523-R526 IonicContact OD1-NH1 3.31Å; D523-R526 PolarHBondContact OD1-NH1 3.11Å; D523-R526 IonicContact OD1-NH2 2.86Å; D523-R526 PolarHBondContact OD1-NH2 3Å; R526-Q529 PolarHBondContact O-N 3.33Å; R526-H530 WeakPolarHBondContact O-CB 3.25Å; R526-H530 PolarHBondContact O-N 3.45Å |
| 527 | E | 88.3 | Confident | 89.7 | Confident | 94 Ų | 94 | 95.1 Ų | 95.1 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 177.1 | -176.5 | 54.2 | -145.4 | 0 | 0 | 111.5 | D523 Y524 E525 Q529 H530 Q531 | D523-E527 WeakPolarHBondContact O-CB 3.45Å; D523-E527 PolarHBondContact O-N 3.26Å; Y524-E527 PolarHBondContact O-N 3.48Å; E525-E527 VanDerWaalsContact C-N 3.34Å; E525-E527 PolarHBondContact O-N 2.9Å; E527-Q529 VanDerWaalsContact C-N 3.31Å; E527-Q529 PolarHBondContact O-N 3.08Å; E527-H530 WeakPolarHBondContact O-CB 3.49Å; E527-H530 PolarHBondContact O-N 3.3Å; E527-Q531 WeakPolarHBondContact O-CG 3.17Å; E527-Q531 PolarHBondContact O-N 3.33Å; E527-Q531 PolarHBondContact OE1-NE2 2.96Å |
| 528 | K | 92.6 | Very high | 89.7 | Confident | 136 Ų | 136 | 95.5 Ų | 95.5 | 59% | 0.591 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.9 | -42.6 | 173.2 | -176.9 | -177.7 | 176.9 | -175.1 | 0 | 111.8 | Y524 E525 Q531 A532 | Y524-K528 WeakPolarHBondContact O-CB 3.34Å; Y524-K528 PolarHBondContact O-N 3.42Å; E525-K528 PolarHBondContact O-N 3.2Å; K528-Q531 PolarHBondContact O-N 3.02Å; K528-A532 WeakPolarHBondContact O-CB 3.31Å; K528-A532 PolarHBondContact O-N 3Å |
| 529 | Q | 91.5 | Very high | 89.5 | Confident | 145 Ų | 145 | 92.9 Ų | 92.9 | 68% | 0.678 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.3 | -39 | 176.6 | -171.1 | 175.4 | 16.8 | 0 | 0 | 111.8 | E525 R526 E527 A532 N533 | E525-Q529 WeakPolarHBondContact O-CB 3.17Å; E525-Q529 PolarHBondContact O-N 3.3Å; R526-Q529 PolarHBondContact O-N 3.33Å; E527-Q529 VanDerWaalsContact C-N 3.31Å; E527-Q529 PolarHBondContact O-N 3.08Å; Q529-A532 PolarHBondContact O-N 3.48Å; Q529-N533 WeakPolarHBondContact O-CB 3.33Å; Q529-N533 PolarHBondContact O-N 2.78Å |
| 530 | H | 94 | Very high | 89 | Confident | 99 Ų | 99 | 98.7 Ų | 98.7 | 46% | 0.458 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 174.2 | -176.3 | 56.9 | 0 | 0 | 0 | 111.3 | R526 E527 N533 L534 | R526-H530 WeakPolarHBondContact O-CB 3.25Å; R526-H530 PolarHBondContact O-N 3.45Å; E527-H530 WeakPolarHBondContact O-CB 3.49Å; E527-H530 PolarHBondContact O-N 3.3Å; H530-N533 WeakPolarHBondContact O-CB 3.48Å; H530-N533 PolarHBondContact O-N 3.03Å; H530-L534 WeakPolarHBondContact O-CG 3.43Å; H530-L534 PolarHBondContact O-N 2.88Å |
| 531 | Q | 94.2 | Very high | 88.2 | Confident | 103 Ų | 103 | 97.6 Ų | 97.6 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 175.5 | -70.6 | 175.4 | 23.8 | 0 | 0 | 112.3 | E527 K528 N533 L534 T535 | E527-Q531 WeakPolarHBondContact O-CG 3.17Å; E527-Q531 PolarHBondContact O-N 3.33Å; E527-Q531 PolarHBondContact OE1-NE2 2.96Å; K528-Q531 PolarHBondContact O-N 3.02Å; Q531-N533 VanDerWaalsContact C-N 3.27Å; Q531-N533 PolarHBondContact O-N 3.05Å; Q531-L534 PolarHBondContact O-N 3.48Å; Q531-T535 PolarHBondContact O-N 2.7Å; Q531-T535 PolarHBondContact O-OG1 3.36Å; Q531-T535 VanDerWaalsContact O-OG1 3.14Å |
| 532 | A | 91.8 | Very high | 87.1 | Confident | 58 Ų | 58 | 100.8 Ų | 100.8 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.7 | -39.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | K528 Q529 T535 A536 | K528-A532 WeakPolarHBondContact O-CB 3.31Å; K528-A532 PolarHBondContact O-N 3Å; Q529-A532 PolarHBondContact O-N 3.48Å; A532-T535 PolarHBondContact O-N 3.04Å; A532-A536 WeakPolarHBondContact O-CB 3.45Å; A532-A536 PolarHBondContact O-N 2.79Å |
| 533 | N | 92.1 | Very high | 85.5 | Confident | 93 Ų | 93 | 104.1 Ų | 104.1 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 175.5 | -167.4 | -10.7 | 0 | 0 | 0 | 111.7 | Q529 H530 Q531 A536 L537 | Q529-N533 WeakPolarHBondContact O-CB 3.33Å; Q529-N533 PolarHBondContact O-N 2.78Å; H530-N533 WeakPolarHBondContact O-CB 3.48Å; H530-N533 PolarHBondContact O-N 3.03Å; Q531-N533 VanDerWaalsContact C-N 3.27Å; Q531-N533 PolarHBondContact O-N 3.05Å; N533-A536 PolarHBondContact O-N 3.27Å; N533-L537 WeakPolarHBondContact O-CG 3.43Å; N533-L537 PolarHBondContact O-N 2.86Å |
| 534 | L | 92.2 | Very high | 83.7 | Confident | 73 Ų | 73 | 112.9 Ų | 112.9 | 38% | 0.382 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.7 | -46.2 | 173.7 | -70.7 | 176.9 | 0 | 0 | 0 | 111.9 | H530 Q531 A536 L537 H538 | H530-L534 WeakPolarHBondContact O-CG 3.43Å; H530-L534 PolarHBondContact O-N 2.88Å; Q531-L534 PolarHBondContact O-N 3.48Å; L534-A536 VanDerWaalsContact C-N 3.33Å; L534-A536 PolarHBondContact O-N 3.42Å; L534-L537 PolarHBondContact O-N 3.29Å; L534-H538 PolarHBondContact O-CD2 2.9Å; L534-H538 PolarHBondContact O-N 3.11Å |
| 535 | T | 92.3 | Very high | 81.4 | Confident | 98 Ų | 98 | 114.8 Ų | 114.8 | 60% | 0.601 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.6 | -40.9 | 175.5 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | Q531 A532 H538 A539 | Q531-T535 PolarHBondContact O-N 2.7Å; Q531-T535 PolarHBondContact O-OG1 3.36Å; Q531-T535 VanDerWaalsContact O-OG1 3.14Å; A532-T535 PolarHBondContact O-N 3.04Å; T535-H538 PolarHBondContact O-N 3.28Å; T535-A539 WeakPolarHBondContact O-CB 3.48Å; T535-A539 PolarHBondContact O-N 3.4Å |
| 536 | A | 89 | Confident | 79.6 | Confident | 42 Ų | 42 | 120 Ų | 120 | 35% | 0.347 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | A532 N533 L534 A539 I540 | A532-A536 WeakPolarHBondContact O-CB 3.45Å; A532-A536 PolarHBondContact O-N 2.79Å; N533-A536 PolarHBondContact O-N 3.27Å; L534-A536 VanDerWaalsContact C-N 3.33Å; L534-A536 PolarHBondContact O-N 3.42Å; A536-A539 PolarHBondContact O-N 3.39Å; A536-I540 WeakPolarHBondContact O-CB 3.4Å; A536-I540 VanDerWaalsContact O-CG1 3.29Å; A536-I540 WeakPolarHBondContact O-CG1 3.4Å; A536-I540 PolarHBondContact O-N 2.9Å |
| 537 | L | 84.7 | Confident | 76.8 | Confident | 104 Ų | 104 | 125.5 Ų | 125.5 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.9 | -39 | 174.2 | -74.9 | 171.5 | 0 | 0 | 0 | 112.2 | N533 L534 A539 G541 | N533-L537 WeakPolarHBondContact O-CG 3.43Å; N533-L537 PolarHBondContact O-N 2.86Å; L534-L537 PolarHBondContact O-N 3.29Å; L537-A539 VanDerWaalsContact C-N 3.3Å; L537-A539 PolarHBondContact O-N 2.87Å; L537-G541 WeakPolarHBondContact O-CA 3.5Å; L537-G541 PolarHBondContact O-N 3.36Å |
| 538 | H | 87.1 | Confident | 74.8 | Confident | 159 Ų | 159 | 129 Ų | 129 | 74% | 0.736 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.7 | -35.6 | 174.7 | -77.4 | -135 | 0 | 0 | 0 | 111.5 | L534 T535 | L534-H538 PolarHBondContact O-CD2 2.9Å; L534-H538 PolarHBondContact O-N 3.11Å; T535-H538 PolarHBondContact O-N 3.28Å |
| 539 | A | 84.3 | Confident | 72.3 | Confident | 65 Ų | 65 | 129.3 Ų | 129.3 | 54% | 0.537 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -78.8 | -38.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | T535 A536 L537 G541 | T535-A539 WeakPolarHBondContact O-CB 3.48Å; T535-A539 PolarHBondContact O-N 3.4Å; A536-A539 PolarHBondContact O-N 3.39Å; L537-A539 VanDerWaalsContact C-N 3.3Å; L537-A539 PolarHBondContact O-N 2.87Å; A539-G541 PolarHBondContact O-N 3.17Å |
| 540 | I | 74.3 | Confident | 69.6 | Low | 136 Ų | 136 | 128.1 Ų | 128.1 | 70% | 0.697 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -79.3 | -7.9 | 175.8 | -63.2 | 168.5 | 0 | 0 | 0 | 111.4 | A536 | A536-I540 WeakPolarHBondContact O-CB 3.4Å; A536-I540 VanDerWaalsContact O-CG1 3.29Å; A536-I540 WeakPolarHBondContact O-CG1 3.4Å; A536-I540 PolarHBondContact O-N 2.9Å |
| 541 | G | 69.5 | Low | 67.3 | Low | 28 Ų | 28 | 131 Ų | 131 | 29% | 0.289 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -44 | 147.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L537 A539 Q543 | L537-G541 WeakPolarHBondContact O-CA 3.5Å; L537-G541 PolarHBondContact O-N 3.36Å; A539-G541 PolarHBondContact O-N 3.17Å; G541-Q543 PolarHBondContact O-N 3.29Å |
| 542 | P | 65.2 | Low | 64.7 | Low | 136 Ų | 136 | 132.1 Ų | 132.1 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.1 | 93.5 | -157.7 | -28.4 | 33.5 | 0 | 0 | 0 | 114.7 | R544 | P542-R544 PolarHBondContact O-N 3.49Å; P542-R544 VanDerWaalsContact O-N 3.16Å |
| 543 | Q | 56.9 | Low | 62.1 | Low | 157 Ų | 157 | 137.4 Ų | 137.4 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | trans | -68.8 | 113.2 | 175.9 | -72.3 | -80.9 | -28.8 | 0 | 0 | 108 | G541 K545 | G541-Q543 PolarHBondContact O-N 3.29Å; Q543-K545 PolarHBondContact O-N 2.93Å; Q543-K545 VanDerWaalsContact O-N 3.13Å | ||
| 544 | R | 48.5 | Very low | 59.7 | Low | 231 Ų | 231 | 141.3 Ų | 141.3 | 87% | 0.872 | 71% | 0.707 | S | S | * | * | trans | -59.9 | 116 | 172.9 | -63 | 178.5 | 84.6 | 134 | 0.3 | 107.5 | P542 R546 | P542-R544 PolarHBondContact O-N 3.49Å; P542-R544 VanDerWaalsContact O-N 3.16Å; R544-R546 PolarHBondContact O-N 3.44Å | ||
| 545 | K | 41.8 | Very low | 57.2 | Low | 209 Ų | 209 | 141.2 Ų | 141.2 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | trans | -56.2 | 95 | 172.8 | -73.3 | -173.2 | 175.4 | -173.8 | 0 | 110 | Q543 | Q543-K545 PolarHBondContact O-N 2.93Å; Q543-K545 VanDerWaalsContact O-N 3.13Å | ||
| 546 | R | 52.3 | Low | 54.6 | Low | 239 Ų | 239 | 144.4 Ų | 144.4 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | trans | -87.9 | 111 | 154.6 | -91.9 | -170.9 | -95 | 138 | -7 | 107.1 | R544 | R544-R546 PolarHBondContact O-N 3.44Š| ||
| 547 | R | 30.7 | Very low | 52.6 | Low | 231 Ų | 231 | 147.4 Ų | 147.4 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | trans | -60.1 | 130.8 | 161.9 | -64.3 | -168.9 | 163.8 | -170.5 | -5.1 | 107.6 | ||||
| 548 | L | 46.4 | Very low | 50.5 | Low | 167 Ų | 167 | 150.1 Ų | 150.1 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -159.4 | 125.2 | 149 | -161.5 | 54.3 | 0 | 0 | 0 | 110.6 | ||||
| 549 | D | 39.9 | Very low | 48.3 | Very low | 143 Ų | 143 | 147 Ų | 147 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | -72.4 | 152.9 | 179.6 | -61 | -69.2 | 0 | 0 | 0 | 112.4 | ||||
| 550 | T | 35.4 | Very low | 46.2 | Very low | 120 Ų | 120 | 149.7 Ų | 149.7 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -19.4 | 124 | 155.2 | -45.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 551 | L | 44.1 | Very low | 44.5 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | -167.3 | 149.8 | 129.9 | -100.1 | -155.1 | 0 | 0 | 0 | 112.3 | |||||
| 552 | D | 39.2 | Very low | 43.2 | Very low | 127 Ų | 127 | 154.8 Ų | 154.8 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | trans | -72.5 | 167.4 | -166.9 | -54.2 | -68.4 | 0 | 0 | 0 | 115.4 | ||||
| 553 | E | 38.6 | Very low | 42 | Very low | 170 Ų | 170 | 156 Ų | 156 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 62.2 | 119.8 | 149.7 | -95.1 | 178 | 116 | 0 | 0 | 121.3 | ||||
| 554 | M | 41.1 | Very low | 41 | Very low | 174 Ų | 174 | 151.8 Ų | 151.8 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | 61.2 | 111.1 | 128 | -157.5 | 89.8 | 84.9 | 0 | 0 | 118.4 | |||||
| 555 | G | 38.9 | Very low | 40.5 | Very low | 72 Ų | 72 | 145.9 Ų | 145.9 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 146.8 | 78.4 | 151.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 556 | N | 39.4 | Very low | 40.3 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | 42.7 | 144.6 | 141.3 | -79.5 | -17.4 | 0 | 0 | 0 | 124.4 | ||||
| 557 | P | 45.8 | Very low | 39.4 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -91.8 | 166.5 | -166.6 | 39.7 | -34.4 | 0 | 0 | 0 | 112.4 | ||||
| 558 | I | 40.7 | Very low | 39.9 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | 178.9 | 115.8 | 141.9 | -92.7 | 150.8 | 0 | 0 | 0 | 111.8 | ||||
| 559 | S | 40.3 | Very low | 39.3 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | 74.9 | 144.8 | 133.6 | -58.1 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 560 | T | 40.6 | Very low | 39.4 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | 79.1 | 133.4 | 141.1 | 24.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 561 | D | 39.4 | Very low | 39.4 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | cis | 178.4 | 171.6 | -17.4 | -116.6 | -32.1 | 0 | 0 | 0 | 105.7 | ||||
| 562 | I | 42.7 | Very low | 39.3 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | trans | 97.2 | 100.9 | 148.6 | -74.1 | 147.9 | 0 | 0 | 0 | 120.6 | ||||
| 563 | L | 39.8 | Very low | 39.2 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | 64.2 | 137.2 | 127.9 | -47.2 | 178 | 0 | 0 | 0 | 119.7 | |||||
| 564 | G | 34.5 | Very low | 39.3 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | cis | 120.8 | 122.6 | 15.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 565 | A | 39.2 | Very low | 39 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 88% | 0.884 | 80% | 0.804 | S | S | * | * | trans | 71.9 | 150.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 566 | S | 37.7 | Very low | 39 | Very low | 103 Ų | 103 | 138 Ų | 138 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | cis | -175.7 | 150.1 | -5.9 | 47.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 567 | L | 33.2 | Very low | 38.8 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | 23.2 | 132.9 | 149.5 | -74.5 | 80 | 0 | 0 | 0 | 121.9 | ||||
| 568 | S | 40.6 | Very low | 38.2 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 88% | 0.881 | 82% | 0.815 | S | S | * | * | -178.7 | 134.8 | 110 | -78.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 569 | T | 33.3 | Very low | 38.1 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -91 | 144.2 | 179.2 | -46.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 570 | R | 43.7 | Very low | 37.9 | Very low | 249 Ų | 249 | 136.7 Ų | 136.7 | 94% | 0.94 | 82% | 0.821 | S | S | * | * | trans | -159.8 | 130.2 | 152.9 | -134.7 | 171 | 172.4 | 162.8 | -2.9 | 113.9 | ||||
| 571 | D | 34.1 | Very low | 37.8 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -70.1 | 159.7 | -179.8 | -71.9 | -66.4 | 0 | 0 | 0 | 115.8 | ||||
| 572 | G | 42.2 | Very low | 37.3 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | -177.7 | 97.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 573 | V | 37.2 | Very low | 36.9 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | trans | -85.1 | 138.5 | 175.3 | -86.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 574 | T | 42 | Very low | 36.6 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 91% | 0.908 | 82% | 0.823 | S | S | * | * | trans | -168.4 | 131.6 | 140.2 | 41.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 575 | N | 34.4 | Very low | 36.6 | Very low | 161 Ų | 161 | 132 Ų | 132 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | trans | -64.3 | 144.7 | 170.7 | -73.1 | -32 | 0 | 0 | 0 | 113.1 | ||||
| 576 | L | 39.1 | Very low | 36.4 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 96% | 0.958 | 83% | 0.826 | S | S | * | * | trans | -146.4 | 134.1 | 143.4 | -89.8 | 174.7 | 0 | 0 | 0 | 110.7 | ||||
| 577 | V | 33.5 | Very low | 36.2 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 79% | 0.788 | 83% | 0.829 | S | S | * | * | trans | -104.6 | 165.7 | -172.8 | 99.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 578 | S | 33.7 | Very low | 36.1 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | trans | 96.4 | 133.1 | 171.2 | -36.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 579 | A | 39.4 | Very low | 35.7 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | cis | -159.8 | 150.8 | 16.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 580 | L | 35.9 | Very low | 35.6 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | 3.5 | 170.7 | 149.7 | -89.4 | 79.9 | 0 | 0 | 0 | 122.7 | ||||
| 581 | P | 38.3 | Very low | 34.9 | Very low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | cis | -142.7 | 166 | -31.2 | 36.9 | -17.7 | 0 | 0 | 0 | 116.4 | ||||
| 582 | A | 29.7 | Very low | 34.7 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 47 | 107.8 | 141.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 583 | S | 34.1 | Very low | 34.2 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -175.3 | 121.7 | 138.5 | 162.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 584 | T | 33.1 | Very low | 34 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 83 | 130.2 | 148.1 | -51.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 585 | A | 34.8 | Very low | 33.6 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | 84.8 | 78.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | R587 | A585-R587 PolarHBondContact O-N 3.46Å; A585-R587 VanDerWaalsContact O-N 3.13Å | ||
| 586 | N | 34.1 | Very low | 33.6 | Very low | 182 Ų | 182 | 131.4 Ų | 131.4 | 97% | 0.973 | 78% | 0.783 | S | S | * | * | trans | -71.9 | 99.9 | 152.5 | -95.9 | -16.4 | 0 | 0 | 0 | 110 | ||||
| 587 | R | 34.9 | Very low | 33.2 | Very low | 209 Ų | 209 | 125 Ų | 125 | 79% | 0.789 | 76% | 0.76 | S | S | * | * | trans | -70.9 | 126.1 | 165.3 | -92.1 | -169.4 | 165.6 | -94.5 | 1.2 | 111.2 | A585 | A585-R587 PolarHBondContact O-N 3.46Å; A585-R587 VanDerWaalsContact O-N 3.13Å | ||
| 588 | L | 30.3 | Very low | 33.1 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | 41.2 | 87.9 | 133.5 | -54.8 | 174.6 | 0 | 0 | 0 | 117.5 | ||||
| 589 | S | 31.7 | Very low | 33.1 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | -92.2 | 90.5 | 158.4 | 46.6 | 0 | 0 | 0 | 0 | 110.1 | V591 | S589-V591 VanDerWaalsContact C-N 3.31Å; S589-V591 PolarHBondContact O-N 2.73Å | ||
| 590 | I | 30.7 | Very low | 32.7 | Very low | 156 Ų | 156 | 124.8 Ų | 124.8 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | trans | -74.9 | 89.5 | 165.5 | -56.9 | 171.7 | 0 | 0 | 0 | 107 | ||||
| 591 | V | 30.3 | Very low | 32.7 | Very low | 131 Ų | 131 | 120.9 Ų | 120.9 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | trans | -113.1 | 86.2 | 166.2 | -176.8 | 0 | 0 | 0 | 0 | 106.4 | S589 | S589-V591 VanDerWaalsContact C-N 3.31Å; S589-V591 PolarHBondContact O-N 2.73Å | ||
| 592 | S | 29.2 | Very low | 32.2 | Very low | 107 Ų | 107 | 119 Ų | 119 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | -113.8 | 116.5 | 169.1 | -147 | 0 | 0 | 0 | 0 | 109.7 | S594 | S592-S594 PolarHBondContact O-N 3.4Š| ||
| 593 | A | 32.5 | Very low | 32.6 | Very low | 89 Ų | 89 | 120.4 Ų | 120.4 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | trans | -80.7 | 106.9 | -164.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R595 | A593-R595 PolarHBondContact O-N 3.4Š| ||
| 594 | S | 31.8 | Very low | 32.5 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | -88.7 | 75.6 | 160.1 | -66.9 | 0 | 0 | 0 | 0 | 109.6 | S592 | S592-S594 PolarHBondContact O-N 3.4Š| ||
| 595 | R | 33.2 | Very low | 32.5 | Very low | 182 Ų | 182 | 123.2 Ų | 123.2 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | trans | -120.7 | 89.4 | 166 | -83.5 | -155.9 | -173 | -89.7 | 3.1 | 110.1 | A593 | A593-R595 PolarHBondContact O-N 3.4Š| ||
| 596 | L | 35.7 | Very low | 32.6 | Very low | 130 Ų | 130 | 123.9 Ų | 123.9 | 68% | 0.681 | 72% | 0.723 | S | S | * | * | trans | -138.7 | 96 | 147.3 | -64.9 | 177.9 | 0 | 0 | 0 | 108.6 | ||||
| 597 | G | 29.5 | Very low | 32.2 | Very low | 47 Ų | 47 | 124 Ų | 124 | 49% | 0.485 | 72% | 0.717 | S | S | . | * | trans | -69.9 | 141.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | R473 | R473-G597 PolarHBondContact NH1-O 3.27Å; R473-G597 PolarHBondContact NH2-O 2.82Å | ||
| 598 | L | 32.4 | Very low | 32.1 | Very low | 162 Ų | 162 | 121.9 Ų | 121.9 | 85% | 0.848 | 72% | 0.721 | S | S | * | * | trans | -117.2 | 104.5 | 159.4 | -137.3 | 86 | 0 | 0 | 0 | 105.8 | ||||
| 599 | V | 32.5 | Very low | 32 | Very low | 50 Ų | 50 | 120.3 Ų | 120.3 | 30% | 0.303 | 72% | 0.721 | S | S | . | * | trans | -61.3 | 134.8 | 150.6 | -86.3 | 0 | 0 | 0 | 0 | 107.5 | Q476 E480 | Q476-V599 HydrophobicContact CG-CG2 3.8Å; E480-V599 HydrophobicContact CB-CG1 4.16Å; E480-V599 HydrophobicContact CG-CG1 3.88Å | ||
| 600 | T | 31.9 | Very low | 32.1 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | -179.1 | 107 | 128.8 | 56 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 601 | S | 35.3 | Very low | 32.1 | Very low | 81 Ų | 81 | 122.5 Ų | 122.5 | 57% | 0.566 | 72% | 0.719 | S | S | * | * | trans | 41.8 | 117.4 | 134.8 | 59 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 602 | G | 29.3 | Very low | 32.1 | Very low | 69 Ų | 69 | 120.2 Ų | 120.2 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | trans | -64.6 | 164 | 151.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 603 | P | 38.1 | Very low | 32.5 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | -145.8 | 157.9 | 93.1 | 36.4 | -19.9 | 0 | 0 | 0 | 113.6 | |||||
| 604 | N | 31.4 | Very low | 32.7 | Very low | 165 Ų | 165 | 124.9 Ų | 124.9 | 88% | 0.882 | 72% | 0.724 | S | S | * | * | trans | -152.1 | 104.2 | 163.3 | -120.3 | -23.1 | 0 | 0 | 0 | 108.6 | ||||
| 605 | L | 33.1 | Very low | 32.8 | Very low | 131 Ų | 131 | 123 Ų | 123 | 69% | 0.686 | 72% | 0.716 | S | S | * | * | trans | -160.6 | 110.3 | 152.5 | -96.6 | 179.6 | 0 | 0 | 0 | 109.1 | ||||
| 606 | T | 35.8 | Very low | 32.7 | Very low | 95 Ų | 95 | 121.8 Ų | 121.8 | 58% | 0.583 | 72% | 0.723 | S | S | * | * | trans | 61.9 | 94.3 | 133.8 | 54.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 607 | Q | 27.5 | Very low | 32.7 | Very low | 184 Ų | 184 | 119.9 Ų | 119.9 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | 16.9 | 114.5 | 116.3 | -167.3 | -173.4 | -9.8 | 0 | 0 | 119.6 | |||||
| 608 | L | 32.6 | Very low | 33 | Very low | 165 Ų | 165 | 123.1 Ų | 123.1 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | trans | -168.1 | 99.6 | 147.7 | -79 | -179 | 0 | 0 | 0 | 106.2 | ||||
| 609 | S | 27.4 | Very low | 33.1 | Very low | 100 Ų | 100 | 119.8 Ų | 119.8 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | 51.6 | 103 | 75 | -146.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 610 | L | 34.1 | Very low | 33.2 | Very low | 143 Ų | 143 | 124.8 Ų | 124.8 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | 173.9 | 133.1 | 121.3 | -111.5 | 73.7 | 0 | 0 | 0 | 113.5 | |||||
| 611 | E | 30.8 | Very low | 33.4 | Very low | 169 Ų | 169 | 124.8 Ų | 124.8 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | 36.6 | 128.9 | 147.5 | -71.6 | 179.7 | 92.7 | 0 | 0 | 122.2 | ||||
| 612 | A | 30.8 | Very low | 33.4 | Very low | 84 Ų | 84 | 126.2 Ų | 126.2 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | cis | 97.1 | 110.5 | 42.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 613 | L | 36.9 | Very low | 33.7 | Very low | 175 Ų | 175 | 127.6 Ų | 127.6 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | 158.3 | 134.3 | 137 | -88 | 151.4 | 0 | 0 | 0 | 114.2 | ||||
| 614 | P | 36 | Very low | 33.7 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -123.8 | 164.7 | 175.5 | 40.4 | -27.8 | 0 | 0 | 0 | 115.1 | ||||
| 615 | A | 33.6 | Very low | 33.8 | Very low | 87 Ų | 87 | 124.3 Ų | 124.3 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | 173.1 | 143.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 616 | N | 32.4 | Very low | 33.8 | Very low | 156 Ų | 156 | 122.1 Ų | 122.1 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | 70.7 | 146.8 | 148.3 | -67.3 | 2.1 | 0 | 0 | 0 | 121.6 | ||||
| 617 | S | 34.9 | Very low | 33.9 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | cis | -179.7 | 162.6 | -12.7 | -80 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 618 | S | 35.2 | Very low | 34.2 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 70.6 | 143.6 | 155.5 | 36 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 619 | S | 34.8 | Very low | 34.4 | Very low | 92 Ų | 92 | 119.6 Ų | 119.6 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | cis | 173.7 | 149 | -3.1 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 620 | L | 35.8 | Very low | 34.5 | Very low | 155 Ų | 155 | 120 Ų | 120 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | 73 | 143.5 | 148.1 | -61.7 | 159.6 | 0 | 0 | 0 | 117.8 | ||||
| 621 | V | 35.9 | Very low | 34.5 | Very low | 118 Ų | 118 | 119.6 Ų | 119.6 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | cis | -172.1 | 144.8 | 20 | -104.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 622 | S | 34.6 | Very low | 34.7 | Very low | 110 Ų | 110 | 116.8 Ų | 116.8 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 33.7 | 148 | 136.9 | 70.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 623 | S | 36.8 | Very low | 34.9 | Very low | 99 Ų | 99 | 120.3 Ų | 120.3 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | cis | 178.6 | 154.9 | 33.9 | 79.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 624 | V | 37.3 | Very low | 34.9 | Very low | 147 Ų | 147 | 118.1 Ų | 118.1 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | 66.2 | 136.4 | 148 | -176.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 625 | G | 32.8 | Very low | 35.1 | Very low | 75 Ų | 75 | 117 Ų | 117 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | cis | 159.5 | 151.3 | 6.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 626 | G | 34.4 | Very low | 35.3 | Very low | 86 Ų | 86 | 116.6 Ų | 116.6 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | 148.2 | 111.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 627 | T | 36.6 | Very low | 35.4 | Very low | 152 Ų | 152 | 118 Ų | 118 | 93% | 0.933 | 78% | 0.784 | S | S | * | * | trans | -82.7 | 148.3 | -179.3 | 46.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 628 | G | 35 | Very low | 35.5 | Very low | 74 Ų | 74 | 118 Ų | 118 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | -175.4 | 143.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 629 | D | 36.3 | Very low | 35.7 | Very low | 165 Ų | 165 | 119.9 Ų | 119.9 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -70.8 | 164.9 | -154.2 | -68.4 | -57.1 | 0 | 0 | 0 | 119.9 | ||||
| 630 | S | 29.3 | Very low | 36.1 | Very low | 107 Ų | 107 | 119.4 Ų | 119.4 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -35.1 | 131.8 | 172.4 | 57.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 631 | V | 35.1 | Very low | 36.1 | Very low | 136 Ų | 136 | 119.7 Ų | 119.7 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -151.7 | 130.1 | 132.7 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | N633 | V631-N633 PolarHBondContact O-N 3.04Š| ||
| 632 | S | 33.3 | Very low | 36.1 | Very low | 109 Ų | 109 | 119 Ų | 119 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -40.8 | 122.6 | 169.4 | 46.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 633 | N | 35.1 | Very low | 36.2 | Very low | 159 Ų | 159 | 121.4 Ų | 121.4 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -124.6 | 125.5 | 165.1 | -131.9 | -4.7 | 0 | 0 | 0 | 110.9 | V631 | V631-N633 PolarHBondContact O-N 3.04Š| ||
| 634 | T | 37.6 | Very low | 36.3 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -61.9 | 127.1 | -171.6 | 52.7 | 0 | 0 | 0 | 0 | 111.3 | G636 | T634-G636 PolarHBondContact O-N 2.92Å; T634-G636 VanDerWaalsContact O-N 3.12Å | ||
| 635 | S | 41.2 | Very low | 36.5 | Very low | 97 Ų | 97 | 125.1 Ų | 125.1 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | -65.5 | 112.9 | 172.7 | 64.4 | 0 | 0 | 0 | 0 | 110.2 | F637 | S635-F637 PolarHBondContact O-N 2.69Å; S635-F637 VanDerWaalsContact O-N 3.14Å | ||
| 636 | G | 36.8 | Very low | 36.9 | Very low | 77 Ų | 77 | 130.2 Ų | 130.2 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -67.9 | 103.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | T634 S638 | T634-G636 PolarHBondContact O-N 2.92Å; T634-G636 VanDerWaalsContact O-N 3.12Å; G636-S638 PolarHBondContact O-N 3.23Å; G636-S638 VanDerWaalsContact O-N 3.1Å | ||
| 637 | F | 35.7 | Very low | 37.5 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 82% | 0.82 | 80% | 0.799 | S | S | * | * | trans | -69.7 | 103.6 | 167.4 | -83.5 | -87.4 | 0 | 0 | 0 | 108.9 | S635 L639 | S635-F637 PolarHBondContact O-N 2.69Å; S635-F637 VanDerWaalsContact O-N 3.14Å; F637-L639 PolarHBondContact O-N 2.9Å | ||
| 638 | S | 36.4 | Very low | 38.7 | Very low | 89 Ų | 89 | 133.1 Ų | 133.1 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | trans | -64.2 | 116.9 | 168.4 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | G636 A640 | G636-S638 PolarHBondContact O-N 3.23Å; G636-S638 VanDerWaalsContact O-N 3.1Å; S638-A640 PolarHBondContact O-N 3.31Å; S638-A640 VanDerWaalsContact O-N 3.08Å | ||
| 639 | L | 38.4 | Very low | 40.3 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -64.5 | -9.6 | -175.8 | -74 | 168.5 | 0 | 0 | 0 | 114.2 | F637 L641 | F637-L639 PolarHBondContact O-N 2.9Å; L639-L641 VanDerWaalsContact C-N 3.33Å; L639-L641 PolarHBondContact O-N 3.01Å |
| 640 | A | 43.3 | Very low | 41.7 | Very low | 82 Ų | 82 | 132.1 Ų | 132.1 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -73.2 | -19.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S638 | S638-A640 PolarHBondContact O-N 3.31Å; S638-A640 VanDerWaalsContact O-N 3.08Å |
| 641 | L | 36 | Very low | 43.5 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -96.7 | -7.3 | -175.5 | -101.2 | 150.7 | 0 | 0 | 0 | 115 | L639 | L639-L641 VanDerWaalsContact C-N 3.33Å; L639-L641 PolarHBondContact O-N 3.01Å |
| 642 | S | 36.9 | Very low | 45.3 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | -96.6 | 4.3 | -174.3 | -160.7 | 0 | 0 | 0 | 0 | 114.5 | R644 | S642-R644 PolarHBondContact O-N 2.89Å; S642-R644 VanDerWaalsContact O-N 3.17Å | ||
| 643 | L | 36 | Very low | 47 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | trans | -78.9 | 10.6 | -179 | -82.9 | 166.1 | 0 | 0 | 0 | 115.2 | ||||
| 644 | R | 39.2 | Very low | 48.5 | Very low | 223 Ų | 223 | 130 Ų | 130 | 84% | 0.842 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -100.4 | 81.9 | 171.5 | -165.1 | 174.8 | -73.4 | -173.3 | -1.8 | 110.9 | S642 H646 | S642-R644 PolarHBondContact O-N 2.89Å; S642-R644 VanDerWaalsContact O-N 3.17Å; R644-H646 VanDerWaalsContact C-N 3.29Å; R644-H646 PolarHBondContact O-N 3.3Å |
| 645 | A | 40.1 | Very low | 50.2 | Low | 102 Ų | 102 | 126.9 Ų | 126.9 | 84% | 0.843 | 69% | 0.687 | S | S | * | * | trans | 30.6 | 36.7 | 152 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 646 | H | 41.1 | Very low | 51.5 | Low | 182 Ų | 182 | 126.7 Ų | 126.7 | 84% | 0.843 | 68% | 0.677 | S | S | * | * | trans | -84.3 | 124.1 | 171.4 | -103.5 | -82.5 | 0 | 0 | 0 | 110.9 | R644 A648 | R644-H646 VanDerWaalsContact C-N 3.29Å; R644-H646 PolarHBondContact O-N 3.3Å; H646-A648 PolarHBondContact O-N 3.4Å; H646-A648 VanDerWaalsContact O-N 3.13Å | ||
| 647 | R | 48.8 | Very low | 52.9 | Low | 236 Ų | 236 | 124.7 Ų | 124.7 | 89% | 0.891 | 65% | 0.648 | S | S | * | * | trans | -57.9 | 111.8 | 172.2 | -69 | 177.3 | 167.1 | 176.4 | -3.4 | 109.1 | T649 | R647-T649 PolarHBondContact O-N 2.9Š| ||
| 648 | A | 60.6 | Low | 54.5 | Low | 63 Ų | 63 | 117.9 Ų | 117.9 | 52% | 0.521 | 62% | 0.624 | S | S | . | * | trans | -61.4 | 132.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | H646 D652 I653 | H646-A648 PolarHBondContact O-N 3.4Å; H646-A648 VanDerWaalsContact O-N 3.13Å; A648-D652 HydrophobicContact CB-CB 4.29Å; A648-I653 HydrophobicContact CB-CG1 4.47Å | ||
| 649 | T | 68.9 | Low | 56.2 | Low | 78 Ų | 78 | 123.3 Ų | 123.3 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | trans | -78 | 161.2 | 176 | 68.7 | 0 | 0 | 0 | 0 | 110.5 | R647 R651 D652 I653 | R647-T649 PolarHBondContact O-N 2.9Å; T649-R651 PolarHBondContact O-N 3.09Å; T649-D652 WeakPolarHBondContact CB-OD2 3.41Å; T649-D652 PolarHBondContact N-OD2 3.18Å; T649-D652 WeakPolarHBondContact O-CB 3.46Å; T649-D652 PolarHBondContact O-N 3.41Å; T649-D652 PolarHBondContact OG1-OD2 3.28Å; T649-I653 PolarHBondContact O-N 3.27Å | ||
| 650 | L | 65.4 | Low | 57.3 | Low | 139 Ų | 139 | 118.6 Ų | 118.6 | 73% | 0.728 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -57.1 | -33.9 | 178.2 | -152.1 | 170.3 | 0 | 0 | 0 | 111.5 | I653 Q654 | L650-I653 PolarHBondContact O-N 3.22Å; L650-Q654 WeakPolarHBondContact O-CB 3.46Å; L650-Q654 PolarHBondContact O-N 3.05Å |
| 651 | R | 68.4 | Low | 58.2 | Low | 200 Ų | 200 | 119.4 Ų | 119.4 | 76% | 0.755 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.5 | -44.4 | 172.7 | -85.4 | -89.8 | -167.3 | 157.6 | 2.3 | 111.9 | T649 I653 Q654 V655 | T649-R651 PolarHBondContact O-N 3.09Å; R651-I653 VanDerWaalsContact C-N 3.35Å; R651-I653 PolarHBondContact O-N 3.13Å; R651-Q654 PolarHBondContact O-N 3.13Å; R651-V655 WeakPolarHBondContact O-CG2 3.32Å; R651-V655 PolarHBondContact O-N 3.05Å |
| 652 | D | 71.4 | Confident | 59.1 | Low | 76 Ų | 76 | 121.8 Ų | 121.8 | 41% | 0.406 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.5 | -42.4 | -179.4 | -56.3 | -39.6 | 0 | 0 | 0 | 111.1 | A648 T649 Q654 V655 I656 | A648-D652 HydrophobicContact CB-CB 4.29Å; T649-D652 WeakPolarHBondContact CB-OD2 3.41Å; T649-D652 PolarHBondContact N-OD2 3.18Å; T649-D652 WeakPolarHBondContact O-CB 3.46Å; T649-D652 PolarHBondContact O-N 3.41Å; T649-D652 PolarHBondContact OG1-OD2 3.28Å; D652-Q654 VanDerWaalsContact C-N 3.34Å; D652-Q654 PolarHBondContact O-N 3.19Å; D652-V655 PolarHBondContact O-N 3.37Å; D652-I656 WeakPolarHBondContact O-CD1 3.39Å; D652-I656 WeakPolarHBondContact O-CG1 3.38Å; D652-I656 PolarHBondContact O-N 3.34Å |
| 653 | I | 68.8 | Low | 60.2 | Low | 85 Ų | 85 | 120 Ų | 120 | 44% | 0.436 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.8 | -41.4 | 175.6 | -60.8 | 173.2 | 0 | 0 | 0 | 110.4 | A648 T649 L650 R651 V655 I656 L657 | A648-I653 HydrophobicContact CB-CG1 4.47Å; T649-I653 PolarHBondContact O-N 3.27Å; L650-I653 PolarHBondContact O-N 3.22Å; R651-I653 VanDerWaalsContact C-N 3.35Å; R651-I653 PolarHBondContact O-N 3.13Å; I653-V655 PolarHBondContact O-N 2.95Å; I653-I656 PolarHBondContact O-N 3.46Å; I653-L657 HydrophobicContact CG2-CD1 4.02Å; I653-L657 HydrophobicContact CG2-CG 4.26Å; I653-L657 WeakPolarHBondContact O-CB 3.36Å; I653-L657 VanDerWaalsContact O-CG 3.27Å; I653-L657 WeakPolarHBondContact O-CG 3.42Å; I653-L657 PolarHBondContact O-N 3.19Å |
| 654 | Q | 67.8 | Low | 61.1 | Low | 106 Ų | 106 | 119.4 Ų | 119.4 | 50% | 0.495 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.4 | -37.7 | 178.6 | -172.5 | 172.4 | -23 | 0 | 0 | 112.6 | L650 R651 D652 S658 | L650-Q654 WeakPolarHBondContact O-CB 3.46Å; L650-Q654 PolarHBondContact O-N 3.05Å; R651-Q654 PolarHBondContact O-N 3.13Å; D652-Q654 VanDerWaalsContact C-N 3.34Å; D652-Q654 PolarHBondContact O-N 3.19Å; Q654-S658 WeakPolarHBondContact O-CB 3.48Å; Q654-S658 PolarHBondContact O-N 3.39Å; Q654-S658 VanDerWaalsContact O-N 3.11Å |
| 655 | V | 72.5 | Confident | 61.8 | Low | 62 Ų | 62 | 118.2 Ų | 118.2 | 38% | 0.376 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.3 | -45 | 174.2 | 172 | 0 | 0 | 0 | 0 | 110.4 | R651 D652 I653 L657 S658 R659 | R651-V655 WeakPolarHBondContact O-CG2 3.32Å; R651-V655 PolarHBondContact O-N 3.05Å; D652-V655 PolarHBondContact O-N 3.37Å; I653-V655 PolarHBondContact O-N 2.95Å; V655-L657 PolarHBondContact O-N 2.83Å; V655-S658 PolarHBondContact O-N 3.34Å; V655-S658 VanDerWaalsContact O-N 3.14Å; V655-S658 PolarHBondContact O-OG 2.87Å; V655-R659 PolarHBondContact O-N 3.49Å |
| 656 | I | 69.9 | Low | 62.6 | Low | 93 Ų | 93 | 114.9 Ų | 114.9 | 48% | 0.477 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 177.2 | -66.4 | 162.6 | 0 | 0 | 0 | 110.7 | D652 I653 S658 R659 T660 | D652-I656 WeakPolarHBondContact O-CD1 3.39Å; D652-I656 WeakPolarHBondContact O-CG1 3.38Å; D652-I656 PolarHBondContact O-N 3.34Å; I653-I656 PolarHBondContact O-N 3.46Å; I656-S658 PolarHBondContact O-N 2.86Å; I656-R659 PolarHBondContact O-N 2.94Å; I656-T660 PolarHBondContact O-N 3.4Å; I656-T660 PolarHBondContact O-OG1 2.96Å |
| 657 | L | 64.5 | Low | 63.1 | Low | 35 Ų | 35 | 110.8 Ų | 110.8 | 18% | 0.183 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -64.7 | -21.5 | 177.8 | -67.7 | 178.2 | 0 | 0 | 0 | 113.5 | I653 V655 L663 | I653-L657 HydrophobicContact CG2-CD1 4.02Å; I653-L657 HydrophobicContact CG2-CG 4.26Å; I653-L657 WeakPolarHBondContact O-CB 3.36Å; I653-L657 VanDerWaalsContact O-CG 3.27Å; I653-L657 WeakPolarHBondContact O-CG 3.42Å; I653-L657 PolarHBondContact O-N 3.19Å; V655-L657 PolarHBondContact O-N 2.83Å; L657-L663 HydrophobicContact CD2-CB 3.73Å; L657-L663 HydrophobicContact CD2-CD2 3.54Å; L657-L663 HydrophobicContact CD2-CG 4.26Å |
| 658 | S | 70.6 | Confident | 63.5 | Low | 45 Ų | 45 | 103.8 Ų | 103.8 | 32% | 0.315 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -84 | -33.5 | 178.7 | 75 | 0 | 0 | 0 | 0 | 113.8 | Q654 V655 I656 R664 | Q654-S658 WeakPolarHBondContact O-CB 3.48Å; Q654-S658 PolarHBondContact O-N 3.39Å; Q654-S658 VanDerWaalsContact O-N 3.11Å; V655-S658 PolarHBondContact O-N 3.34Å; V655-S658 VanDerWaalsContact O-N 3.14Å; V655-S658 PolarHBondContact O-OG 2.87Å; I656-S658 PolarHBondContact O-N 2.86Å; S658-R664 PolarHBondContact O-NH2 2.88Å |
| 659 | R | 70.6 | Confident | 63.1 | Low | 203 Ų | 203 | 106.4 Ų | 106.4 | 77% | 0.766 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -87.9 | -28.7 | -174.5 | -80.9 | 173.6 | 172.3 | 172 | -3.6 | 113.7 | V655 I656 P661 | V655-R659 PolarHBondContact O-N 3.49Å; I656-R659 PolarHBondContact O-N 2.94Å; R659-P661 WeakPolarHBondContact O-CD 3.41Å |
| 660 | T | 62.8 | Low | 62.4 | Low | 55 Ų | 55 | 107.9 Ų | 107.9 | 34% | 0.337 | 49% | 0.493 | S | S | . | . | trans | -98.8 | 110.6 | -178 | -16.7 | 0 | 0 | 0 | 0 | 111 | I656 R662 L663 R664 | I656-T660 PolarHBondContact O-N 3.4Å; I656-T660 PolarHBondContact O-OG1 2.96Å; T660-R662 PolarHBondContact O-N 3.17Å; T660-R662 VanDerWaalsContact O-N 3.15Å; T660-L663 HydrophobicContact CG2-CD1 3.91Å; T660-L663 PolarHBondContact O-N 2.93Å; T660-R664 PolarHBondContact O-N 3.39Å | ||
| 661 | P | 61 | Low | 62.1 | Low | 100 Ų | 100 | 109.1 Ų | 109.1 | 65% | 0.649 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -62.2 | -27.4 | -174.4 | 21.5 | -31.5 | 0 | 0 | 0 | 113.4 | R659 L663 R664 | R659-P661 WeakPolarHBondContact O-CD 3.41Å; P661-L663 VanDerWaalsContact C-N 3.31Å; P661-L663 PolarHBondContact O-N 2.92Å; P661-R664 PolarHBondContact O-N 3.45Å |
| 662 | R | 55.1 | Low | 61.5 | Low | 211 Ų | 211 | 103.7 Ų | 103.7 | 80% | 0.796 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -69.5 | -27.1 | 176.4 | -55.5 | -138.2 | 91.1 | 174 | 8.5 | 113.4 | T660 | T660-R662 PolarHBondContact O-N 3.17Å; T660-R662 VanDerWaalsContact O-N 3.15Å |
| 663 | L | 60.1 | Low | 60.3 | Low | 64 Ų | 64 | 107.5 Ų | 107.5 | 34% | 0.335 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -87.1 | -9.8 | 178.5 | -81 | 123 | 0 | 0 | 0 | 113.3 | L657 T660 P661 R665 T666 R667 | L657-L663 HydrophobicContact CD2-CB 3.73Å; L657-L663 HydrophobicContact CD2-CD2 3.54Å; L657-L663 HydrophobicContact CD2-CG 4.26Å; T660-L663 HydrophobicContact CG2-CD1 3.91Å; T660-L663 PolarHBondContact O-N 2.93Å; P661-L663 VanDerWaalsContact C-N 3.31Å; P661-L663 PolarHBondContact O-N 2.92Å; L663-R665 VanDerWaalsContact C-N 3.29Å; L663-R665 PolarHBondContact O-N 2.88Å; L663-T666 WeakPolarHBondContact O-CB 3.33Å; L663-T666 PolarHBondContact O-N 3.23Å; L663-R667 PolarHBondContact O-N 3.35Å |
| 664 | R | 56 | Low | 59.5 | Low | 149 Ų | 149 | 110.9 Ų | 110.9 | 56% | 0.562 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -31.3 | 174.6 | -75 | -172.4 | 177 | -174.8 | -0.1 | 113 | S658 T660 P661 T666 R667 T668 | S658-R664 PolarHBondContact O-NH2 2.88Å; T660-R664 PolarHBondContact O-N 3.39Å; P661-R664 PolarHBondContact O-N 3.45Å; R664-T666 VanDerWaalsContact C-N 3.31Å; R664-T666 PolarHBondContact O-N 3.23Å; R664-R667 WeakPolarHBondContact O-CA 3.4Å; R664-R667 WeakPolarHBondContact O-CB 3.5Å; R664-R667 PolarHBondContact O-N 2.9Å; R664-R667 VanDerWaalsContact O-N 3.1Å; R664-T668 PolarHBondContact O-N 3.48Å; R664-T668 PolarHBondContact O-OG1 3.14Å |
| 665 | R | 52.9 | Low | 58.8 | Low | 199 Ų | 199 | 116 Ų | 116 | 75% | 0.751 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -38.3 | 176.9 | -76.5 | -176.6 | 177.2 | 161.5 | -1.4 | 112.2 | L663 R667 T668 Y669 | L663-R665 VanDerWaalsContact C-N 3.29Å; L663-R665 PolarHBondContact O-N 2.88Å; R665-R667 VanDerWaalsContact C-N 3.35Å; R665-T668 PolarHBondContact O-N 3.02Å; R665-Y669 PolarHBondContact O-N 3.27Å; R665-Y669 VanDerWaalsContact O-N 3.08Å |
| 666 | T | 58.1 | Low | 57.9 | Low | 31 Ų | 31 | 117.1 Ų | 117.1 | 19% | 0.19 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 173.2 | -49.1 | 0 | 0 | 0 | 0 | 110.8 | Y6 L663 R664 T668 Y669 Y670 | Y6-T666 HydrophobicContact CE1-CG2 4.47Å; Y6-T666 HydrophobicContact CE2-CG2 4.12Å; Y6-T666 WeakPolarHBondContact OH-CG2 3.36Å; L663-T666 WeakPolarHBondContact O-CB 3.33Å; L663-T666 PolarHBondContact O-N 3.23Å; R664-T666 VanDerWaalsContact C-N 3.31Å; R664-T666 PolarHBondContact O-N 3.23Å; T666-T668 PolarHBondContact O-N 3.44Å; T666-Y669 PolarHBondContact O-N 2.95Å; T666-Y670 HydrophobicContact CG2-CD2 3.67Å; T666-Y670 HydrophobicContact CG2-CE2 3.52Å; T666-Y670 WeakPolarHBondContact O-CD2 3.29Å; T666-Y670 PolarHBondContact O-N 3.29Å |
| 667 | R | 50.8 | Low | 56.5 | Low | 97 Ų | 97 | 120.7 Ų | 120.7 | 37% | 0.366 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 174.2 | 178.5 | 177.2 | 167 | 150.6 | -3.9 | 113.1 | L663 R664 R665 R671 | L663-R667 PolarHBondContact O-N 3.35Å; R664-R667 WeakPolarHBondContact O-CA 3.4Å; R664-R667 WeakPolarHBondContact O-CB 3.5Å; R664-R667 PolarHBondContact O-N 2.9Å; R664-R667 VanDerWaalsContact O-N 3.1Å; R665-R667 VanDerWaalsContact C-N 3.35Å; R667-R671 PolarHBondContact O-N 3.41Å; R667-R671 VanDerWaalsContact O-N 3.12Å |
| 668 | T | 57.8 | Low | 55.6 | Low | 89 Ų | 89 | 128.2 Ų | 128.2 | 55% | 0.546 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.6 | -43.8 | 174.7 | -26.8 | 0 | 0 | 0 | 0 | 110.9 | R664 R665 T666 Y670 R671 T672 | R664-T668 PolarHBondContact O-N 3.48Å; R664-T668 PolarHBondContact O-OG1 3.14Å; R665-T668 PolarHBondContact O-N 3.02Å; T666-T668 PolarHBondContact O-N 3.44Å; T668-Y670 PolarHBondContact O-N 2.91Å; T668-R671 PolarHBondContact O-N 3.48Å; T668-R671 VanDerWaalsContact O-N 3.12Å; T668-T672 PolarHBondContact O-N 2.83Å; T668-T672 PolarHBondContact O-OG1 3.16Å |
| 669 | Y | 52.9 | Low | 54.9 | Low | 118 Ų | 118 | 132.4 Ų | 132.4 | 46% | 0.463 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.2 | -41.5 | 176.2 | -159.3 | -90.7 | 0 | 0 | 0 | 112.2 | R665 T666 R671 T672 Y673 | R665-Y669 PolarHBondContact O-N 3.27Å; R665-Y669 VanDerWaalsContact O-N 3.08Å; T666-Y669 PolarHBondContact O-N 2.95Å; Y669-R671 VanDerWaalsContact C-N 3.32Å; Y669-R671 PolarHBondContact O-N 2.95Å; Y669-T672 PolarHBondContact O-OG1 3.13Å; Y669-Y673 HydrophobicContact CE1-CD2 4.24Å; Y669-Y673 WeakPolarHBondContact O-CB 3.46Å; Y669-Y673 PolarHBondContact O-N 3.27Å |
| 670 | Y | 53.4 | Low | 54 | Low | 109 Ų | 109 | 128.7 Ų | 128.7 | 43% | 0.427 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.5 | -28.3 | 175 | -87.5 | -73.3 | 0 | 0 | 0 | 113.4 | T666 T668 | T666-Y670 HydrophobicContact CG2-CD2 3.67Å; T666-Y670 HydrophobicContact CG2-CE2 3.52Å; T666-Y670 WeakPolarHBondContact O-CD2 3.29Å; T666-Y670 PolarHBondContact O-N 3.29Å; T668-Y670 PolarHBondContact O-N 2.91Å |
| 671 | R | 58.6 | Low | 53.6 | Low | 164 Ų | 164 | 132.8 Ų | 132.8 | 62% | 0.619 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -81.1 | -32.5 | 177.4 | -107.4 | -168.3 | 177.5 | -172.6 | -1.3 | 113.5 | R667 T668 Y669 | R667-R671 PolarHBondContact O-N 3.41Å; R667-R671 VanDerWaalsContact O-N 3.12Å; T668-R671 PolarHBondContact O-N 3.48Å; T668-R671 VanDerWaalsContact O-N 3.12Å; Y669-R671 VanDerWaalsContact C-N 3.32Å; Y669-R671 PolarHBondContact O-N 2.95Å |
| 672 | T | 56.2 | Low | 53.1 | Low | 87 Ų | 87 | 134.7 Ų | 134.7 | 53% | 0.534 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -79.6 | -37.9 | -179.6 | 51.2 | 0 | 0 | 0 | 0 | 112 | T668 Y669 W674 S676 | T668-T672 PolarHBondContact O-N 2.83Å; T668-T672 PolarHBondContact O-OG1 3.16Å; Y669-T672 PolarHBondContact O-OG1 3.13Å; T672-W674 PolarHBondContact O-N 3.48Å; T672-S676 PolarHBondContact O-OG 2.76Å |
| 673 | Y | 47 | Very low | 53 | Low | 155 Ų | 155 | 129.9 Ų | 129.9 | 61% | 0.608 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -75.1 | -22.6 | -176.7 | -142.1 | -88.2 | 0 | 0 | 0 | 113.9 | Y669 S676 | Y669-Y673 HydrophobicContact CE1-CD2 4.24Å; Y669-Y673 WeakPolarHBondContact O-CB 3.46Å; Y669-Y673 PolarHBondContact O-N 3.27Å; Y673-S676 PolarHBondContact O-OG 2.82Å |
| 674 | W | 51.2 | Low | 52.5 | Low | 157 Ų | 157 | 134.3 Ų | 134.3 | 60% | 0.595 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -4.8 | -178.9 | -81.9 | 95.7 | 0 | 0 | 0 | 114.8 | I447 T672 | I447-W674 HydrophobicContact CD1-CH2 4.35Å; I447-W674 HydrophobicContact CD1-CZ2 4.31Å; T672-W674 PolarHBondContact O-N 3.48Å |
| 675 | R | 53.4 | Low | 52.3 | Low | 214 Ų | 214 | 133.3 Ų | 133.3 | 81% | 0.808 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -95.7 | -3.4 | 170.3 | -88 | -167.3 | -166.1 | -95.7 | 3.2 | 113.5 | ||
| 676 | S | 52.8 | Low | 52.2 | Low | 85 Ų | 85 | 128.2 Ų | 128.2 | 59% | 0.594 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -108.5 | 21.3 | -171.4 | 53.4 | 0 | 0 | 0 | 0 | 114.3 | T672 Y673 | T672-S676 PolarHBondContact O-OG 2.76Å; Y673-S676 PolarHBondContact O-OG 2.82Å |
| 677 | Q | 41.5 | Very low | 51.7 | Low | 167 Ų | 167 | 136.3 Ų | 136.3 | 78% | 0.78 | 63% | 0.633 | S | S | * | * | trans | -114.3 | 133.2 | 164.5 | -80.4 | -111.2 | -41.2 | 0 | 0 | 108.1 | ||||
| 678 | P | 45.5 | Very low | 51.8 | Low | 194 Ų | 194 | 139.9 Ų | 139.9 | 100% | 1.26 | 66% | 0.658 | S | S | * | * | trans | -62 | 0 | 177 | 27.5 | -33.7 | 0 | 0 | 0 | 112.5 |
Retrieved 678 of 678 residues in 125 ms
(Link to these results)