| 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 | 49.3 | Very low | 42.9 | Very low | 226 Ų | 226 | 163.5 Ų | 163.5 | 100% | 1.113 | 83% | 0.834 | S | S | * | * | 0 | 133.5 | 0 | -59.8 | -177.2 | -179 | 0 | 0 | 106.5 | |||||
| 2 | P | 54.8 | Low | 41.9 | Very low | 124 Ų | 124 | 161.8 Ų | 161.8 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | -103 | 165.7 | 67.8 | -3.5 | 24.1 | 0 | 0 | 0 | 112.1 | |||||
| 3 | I | 46 | Very low | 41.5 | Very low | 146 Ų | 146 | 159.1 Ų | 159.1 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | cis | 91.7 | 87.5 | 30 | -55.4 | 171 | 0 | 0 | 0 | 114.9 | ||||
| 4 | R | 52.6 | Low | 43.1 | Very low | 235 Ų | 235 | 155.7 Ų | 155.7 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | 21.3 | 126.3 | 138.8 | -59.1 | 177.6 | 177.2 | 176.7 | -1.8 | 121 | ||||
| 5 | R | 43 | Very low | 43.6 | Very low | 250 Ų | 250 | 153.4 Ų | 153.4 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | 172.4 | 153.6 | 128.4 | -97.8 | 172.7 | 176.1 | 125.3 | -5 | 108.9 | |||||
| 6 | A | 38.7 | Very low | 43 | Very low | 88 Ų | 88 | 156.2 Ų | 156.2 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | cis | -153.1 | 178.3 | -12.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 7 | V | 42.3 | Very low | 42.4 | Very low | 133 Ų | 133 | 152.5 Ų | 152.5 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -133.6 | 139 | 177.9 | -71.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 8 | N | 35.5 | Very low | 42 | Very low | 158 Ų | 158 | 154.3 Ų | 154.3 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -128.8 | 129.4 | 163.8 | -63.2 | 28.7 | 0 | 0 | 0 | 106.1 | ||||
| 9 | S | 37.5 | Very low | 41.6 | Very low | 106 Ų | 106 | 152.5 Ų | 152.5 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | cis | 78 | 106.1 | 9.6 | -157.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 10 | T | 34.8 | Very low | 41.2 | Very low | 129 Ų | 129 | 148.8 Ų | 148.8 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -176 | 110.1 | 151.3 | -73.3 | 0 | 0 | 0 | 0 | 105 | ||||
| 11 | R | 37.3 | Very low | 40.9 | Very low | 204 Ų | 204 | 149.6 Ų | 149.6 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | 63 | 139.8 | 90.4 | -78.1 | -178.4 | 100 | 159.7 | -1.3 | 113.2 | |||||
| 12 | E | 31.4 | Very low | 40.1 | Very low | 143 Ų | 143 | 142 Ų | 142 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | cis | -151.8 | -177.3 | 14.2 | -132.3 | 170.3 | 172.2 | 0 | 0 | 115.4 | ||||
| 13 | T | 36.4 | Very low | 39.1 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -137.3 | -164.2 | 179.1 | 53.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 14 | P | 63.3 | Low | 38.7 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | -105.4 | -162.2 | -80.7 | 37.3 | -20 | 0 | 0 | 0 | 112.2 | |||||
| 15 | P | 50.7 | Low | 37.8 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | -156.2 | 171.3 | 96.5 | 40.4 | -20.6 | 0 | 0 | 0 | 119.5 | |||||
| 16 | K | 33.9 | Very low | 37.8 | Very low | 198 Ų | 198 | 139.5 Ų | 139.5 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | -30.3 | 164 | 154 | -85.7 | 171.4 | 179.4 | 176.1 | 0 | 117.3 | ||||
| 17 | S | 33.8 | Very low | 38.4 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | cis | 177.1 | 172.7 | 10.2 | 42.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 18 | K | 35.3 | Very low | 38 | Very low | 185 Ų | 185 | 141 Ų | 141 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 71.9 | 156.1 | 152.4 | -81.4 | -169.6 | 167.8 | -164.2 | 0 | 117.7 | ||||
| 19 | L | 33.4 | Very low | 38.9 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 63% | 0.628 | 75% | 0.746 | S | S | * | * | cis | -167.2 | 170.3 | -21.6 | -124.8 | 176.2 | 0 | 0 | 0 | 109.5 | E21 | L19-E21 WeakPolarHBondContact CD2-OE2 3.26Š| ||
| 20 | A | 34.8 | Very low | 38.6 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | trans | 73.7 | 147.7 | 151.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 21 | E | 33.8 | Very low | 38.3 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | cis | 178.7 | 166.5 | -35 | -122.2 | 78.2 | -85.7 | 0 | 0 | 105.2 | L19 | L19-E21 WeakPolarHBondContact CD2-OE2 3.26Š| ||
| 22 | G | 31.8 | Very low | 38 | Very low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | cis | -136.2 | -129.6 | -11.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 23 | E | 34.7 | Very low | 38.2 | Very low | 184 Ų | 184 | 130.9 Ų | 130.9 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | cis | -147.3 | 143.9 | -10.7 | -78.9 | -170.9 | 123.3 | 0 | 0 | 109.5 | ||||
| 24 | E | 37.5 | Very low | 38.3 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | trans | 38.1 | 151.5 | 149.3 | -49.3 | -146.8 | 131.8 | 0 | 0 | 122 | ||||
| 25 | E | 33.6 | Very low | 36.8 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | cis | -144.2 | 165.1 | 33.5 | -167.9 | 179 | -179.4 | 0 | 0 | 113.4 | ||||
| 26 | K | 43.6 | Very low | 36.5 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | trans | -144.6 | 162.7 | -178.3 | -117.9 | -169.6 | 177.6 | -169.7 | 0 | 109.4 | E28 | K26-E28 VanDerWaalsContact CE-CD 3.49Å; K26-E28 WeakPolarHBondContact CE-OE1 3.48Å; K26-E28 IonicContact NZ-OE1 2.84Å; K26-E28 PolarHBondContact NZ-OE1 2.9Å; K26-E28 IonicContact NZ-OE2 3.65Å; K26-E28 PolarHBondContact NZ-OE2 2.85Å | ||
| 27 | P | 50.6 | Low | 36.2 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | cis | -132.5 | 175.6 | 43.9 | 32.4 | -10.3 | 0 | 0 | 0 | 114.6 | ||||
| 28 | E | 34.2 | Very low | 35.9 | Very low | 136 Ų | 136 | 133 Ų | 133 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | cis | 77.3 | 155.1 | 33.2 | -99.1 | -174.8 | -169.9 | 0 | 0 | 117 | K26 | K26-E28 VanDerWaalsContact CE-CD 3.49Å; K26-E28 WeakPolarHBondContact CE-OE1 3.48Å; K26-E28 IonicContact NZ-OE1 2.84Å; K26-E28 PolarHBondContact NZ-OE1 2.9Å; K26-E28 IonicContact NZ-OE2 3.65Å; K26-E28 PolarHBondContact NZ-OE2 2.85Å | ||
| 29 | P | 55.2 | Low | 35.6 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | cis | -84.3 | -157.5 | 5.3 | 40.3 | -40.4 | 0 | 0 | 0 | 113.3 | ||||
| 30 | D | 30.9 | Very low | 35.4 | Very low | 156 Ų | 156 | 131.5 Ų | 131.5 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | cis | -153.4 | -170.2 | 8.4 | -131.8 | -26.1 | 0 | 0 | 0 | 109 | ||||
| 31 | G | 29.1 | Very low | 35.4 | Very low | 57 Ų | 57 | 136 Ų | 136 | 59% | 0.588 | 76% | 0.756 | S | S | * | * | cis | 121.3 | 106.6 | 14 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 32 | S | 29.9 | Very low | 35.5 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | cis | 81.3 | 137.6 | 13.1 | -134.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 33 | S | 36.2 | Very low | 35.5 | Very low | 89 Ų | 89 | 139.7 Ų | 139.7 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | cis | -173.9 | 152.1 | -12.3 | 35 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 34 | E | 37.8 | Very low | 35.2 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | 46 | 143.4 | 143.9 | -61.8 | -177.4 | 113.5 | 0 | 0 | 125.5 | ||||
| 35 | E | 33 | Very low | 34.6 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | 64.7 | 157.6 | 152.2 | -75.9 | -145.7 | 81.3 | 0 | 0 | 120.6 | ||||
| 36 | S | 44.4 | Very low | 34.3 | Very low | 86 Ų | 86 | 134 Ų | 134 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | cis | -163.2 | 169.5 | -16 | -124.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 37 | I | 26.6 | Very low | 33.5 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | trans | 57.5 | 149.5 | 147.7 | -152.9 | 164.8 | 0 | 0 | 0 | 124.9 | ||||
| 38 | S | 27.8 | Very low | 33.4 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | 76.2 | 136.6 | 165.4 | -134 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 39 | T | 28.9 | Very low | 34.1 | Very low | 130 Ų | 130 | 132 Ų | 132 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | cis | 86.1 | 104.5 | 18.3 | -45.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 40 | V | 29.3 | Very low | 32.9 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 87% | 0.873 | 74% | 0.743 | S | S | * | * | trans | -162.3 | 157.3 | 160 | 63.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 41 | E | 34.1 | Very low | 32.7 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -119.2 | 158.5 | -175.8 | -68.3 | -177.1 | 96.1 | 0 | 0 | 113 | ||||
| 42 | E | 35.9 | Very low | 32.9 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | 60.8 | 153.1 | 162.9 | -66.8 | -165.7 | 117.6 | 0 | 0 | 117.4 | ||||
| 43 | Q | 32 | Very low | 32.9 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | cis | -155 | 177.3 | -3 | -115.5 | 169.8 | 28.9 | 0 | 0 | 106.3 | ||||
| 44 | E | 27.7 | Very low | 32.4 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 67% | 0.673 | 75% | 0.749 | S | S | * | * | cis | -151.7 | 155.4 | 5.3 | -138.9 | -153.5 | 120.9 | 0 | 0 | 110.6 | ||||
| 45 | N | 24.8 | Very low | 32 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | trans | 34.4 | 119.3 | 130.3 | -168.5 | 23.6 | 0 | 0 | 0 | 123.4 | ||||
| 46 | E | 27.9 | Very low | 31.8 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | -167.9 | 166.4 | 116.7 | -109 | -165.8 | 146.5 | 0 | 0 | 113.1 | |||||
| 47 | T | 26.3 | Very low | 31.1 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | -160.1 | -179.8 | -178 | 7.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 48 | P | 48.4 | Very low | 31.7 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | cis | -129.3 | -144.5 | -3.1 | 44.2 | -25.1 | 0 | 0 | 0 | 110.5 | ||||
| 49 | P | 48.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | cis | -122 | -150.8 | -20 | 36.5 | -14 | 0 | 0 | 0 | 110.7 | ||||
| 50 | A | 30.4 | Very low | 31.4 | Very low | 84 Ų | 84 | 128.4 Ų | 128.4 | 69% | 0.694 | 72% | 0.719 | S | S | * | * | cis | -159.8 | 173.7 | -2.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 51 | T | 27.4 | Very low | 31.3 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | cis | -109.4 | -95.6 | -11.6 | 22.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 52 | S | 32.8 | Very low | 31.2 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | cis | -173.5 | 161.9 | -22.9 | -127.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 53 | S | 31 | Very low | 30.7 | Very low | 95 Ų | 95 | 119.3 Ų | 119.3 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | cis | 176.7 | 134 | -35 | 50.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 54 | E | 25.9 | Very low | 30.3 | Very low | 182 Ų | 182 | 118.6 Ų | 118.6 | 85% | 0.85 | 69% | 0.688 | S | S | * | * | cis | -167 | 144.1 | -10 | -166 | 157.6 | 109.4 | 0 | 0 | 111.5 | ||||
| 55 | A | 28.9 | Very low | 30 | Very low | 91 Ų | 91 | 115 Ų | 115 | 75% | 0.752 | 69% | 0.69 | S | S | * | * | trans | 58.5 | 175.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 56 | E | 28.3 | Very low | 29.9 | Very low | 167 Ų | 167 | 117.2 Ų | 117.2 | 78% | 0.78 | 70% | 0.696 | S | S | * | * | -156.2 | -149.2 | -68.5 | -126.5 | -151.7 | 101.9 | 0 | 0 | 113.6 | |||||
| 57 | Q | 29.9 | Very low | 29.7 | Very low | 159 Ų | 159 | 116.4 Ų | 116.4 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | trans | -132.1 | -155.1 | -156.9 | -46.3 | 161.2 | 94 | 0 | 0 | 113.4 | ||||
| 58 | P | 38.8 | Very low | 29.5 | Very low | 104 Ų | 104 | 118.3 Ų | 118.3 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | cis | -141.4 | -166.6 | -20.6 | 41.5 | -21.3 | 0 | 0 | 0 | 116.9 | ||||
| 59 | K | 26.3 | Very low | 28.4 | Very low | 133 Ų | 133 | 120.8 Ų | 120.8 | 58% | 0.578 | 69% | 0.692 | S | S | * | * | trans | 88.9 | 157.3 | 143.4 | -86.2 | 179.9 | 172.3 | 178.7 | 0 | 125.7 | S487 K489 | K59-S487 WeakPolarHBondContact CE-O 3.29Å; K59-S487 VanDerWaalsContact CE-OG 3.29Å; K59-S487 WeakPolarHBondContact CE-OG 3.35Å; K59-S487 PolarHBondContact NZ-OG 2.81Å; K59-K489 CarbonylContact C-O 3.56Å; K59-K489 WeakPolarHBondContact CA-O 3.37Å | ||
| 60 | G | 25.4 | Very low | 27.2 | Very low | 37 Ų | 37 | 121.2 Ų | 121.2 | 38% | 0.381 | 69% | 0.688 | S | S | . | * | trans | 132.1 | 98.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | R488 K489 P490 | G60-R488 PolarHBondContact N-O 2.97Å; G60-K489 PolarHBondContact N-O 2.62Å; G60-K489 CarbonylContact O-C 3.33Å; G60-P490 CarbonylContact O-C 3.58Å; G60-P490 VanDerWaalsContact O-CD 3.23Å; G60-P490 WeakPolarHBondContact O-CD 3.45Å | ||
| 61 | E | 26.2 | Very low | 26.8 | Very low | 56 Ų | 56 | 122.9 Ų | 122.9 | 26% | 0.262 | 69% | 0.685 | S | S | . | * | trans | -135.3 | 145.5 | 177.3 | 162.8 | -176.4 | -135.3 | 0 | 0 | 112.8 | R488 K489 | E61-R488 HydrophobicContact CB-CB 3.82Å; E61-R488 HydrophobicContact CB-CG 4.11Å; E61-R488 WeakPolarHBondContact O-CD 3.37Å; E61-R488 WeakPolarHBondContact O-CG 3.34Å; E61-R488 PolarHBondContact O-NE 2.93Å; E61-K489 IonicContact OE1-NZ 2.81Å; E61-K489 PolarHBondContact OE1-NZ 3.23Å; E61-K489 WeakPolarHBondContact OE2-CD 3.48Å; E61-K489 WeakPolarHBondContact OE2-CE 3.25Å; E61-K489 IonicContact OE2-NZ 2.73Å; E61-K489 PolarHBondContact OE2-NZ 2.84Å | ||
| 62 | P | 32.4 | Very low | 26.8 | Very low | 110 Ų | 110 | 122.9 Ų | 122.9 | 71% | 0.714 | 68% | 0.68 | S | S | * | * | trans | -129.5 | 161.3 | 132.8 | 9 | 13.6 | 0 | 0 | 0 | 112.8 | ||||
| 63 | E | 25.5 | Very low | 26.6 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 57% | 0.565 | 69% | 0.685 | S | S | * | * | cis | 112 | 86 | -0.1 | -159.3 | 162.4 | -124.3 | 0 | 0 | 115.9 | R488 | E63-R488 IonicContact OE2-CZ 2.67Å; E63-R488 IonicContact OE2-NE 3.76Å; E63-R488 PolarHBondContact OE2-NE 2.86Å; E63-R488 IonicContact OE2-NH2 2.62Å; E63-R488 PolarHBondContact OE2-NH2 3.28Å | ||
| 64 | S | 22.9 | Very low | 26.6 | Very low | 133 Ų | 133 | 126.7 Ų | 126.7 | 93% | 0.93 | 69% | 0.685 | S | S | * | * | trans | 69.5 | 156.1 | 172.6 | 70.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 65 | G | 21.8 | Very low | 26.8 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | cis | 173.9 | 159.3 | -8.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 66 | E | 23.5 | Very low | 26.7 | Very low | 161 Ų | 161 | 127 Ų | 127 | 75% | 0.752 | 69% | 0.686 | S | S | * | * | trans | 54.8 | 129.7 | 166 | -60.7 | -160 | 178.1 | 0 | 0 | 123.7 | ||||
| 67 | K | 22.3 | Very low | 26.7 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 70% | 0.7 | 68% | 0.679 | S | S | * | * | trans | 65.8 | 162.7 | 150.1 | -65.3 | 161.8 | -177.9 | 148.4 | 0 | 117.4 | ||||
| 68 | E | 23.2 | Very low | 27 | Very low | 161 Ų | 161 | 123.1 Ų | 123.1 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | cis | -141.6 | -159.2 | -1.2 | -147.1 | 130.1 | -123.4 | 0 | 0 | 111.7 | ||||
| 69 | E | 24.1 | Very low | 26.5 | Very low | 163 Ų | 163 | 126.4 Ų | 126.4 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | trans | -52.2 | 157.2 | 179.4 | -60.7 | 179.5 | 112.7 | 0 | 0 | 114.7 | ||||
| 70 | N | 23.6 | Very low | 26.7 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | -169.6 | 165.1 | 71.8 | -129.5 | -55.4 | 0 | 0 | 0 | 118.2 | |||||
| 71 | N | 23.4 | Very low | 26.8 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | trans | -10.8 | 138.8 | 165.3 | -84.4 | -75.1 | 0 | 0 | 0 | 119.6 | ||||
| 72 | N | 26.3 | Very low | 27.1 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | -158.2 | 146 | 68.7 | -90.8 | -72.5 | 0 | 0 | 0 | 111.8 | |||||
| 73 | K | 29.8 | Very low | 26.9 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | 66.3 | 133.6 | 78.3 | -121.6 | -167 | -179.4 | 178.3 | 0 | 112.7 | |||||
| 74 | S | 29.4 | Very low | 27.1 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | cis | -156.2 | 161.4 | 14 | -37.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 75 | A | 30.3 | Very low | 27.4 | Very low | 89 Ų | 89 | 143.9 Ų | 143.9 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | trans | 60.5 | 154.4 | 143 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 76 | E | 27.4 | Very low | 27.8 | Very low | 189 Ų | 189 | 145.6 Ų | 145.6 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | cis | -146.9 | 157.4 | -7.6 | -139.2 | 162.4 | 107.1 | 0 | 0 | 111.5 | ||||
| 77 | E | 27.7 | Very low | 28.2 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | trans | -88.7 | 163.7 | 165.9 | -124.6 | -165.1 | -137.1 | 0 | 0 | 108.9 | K79 | E77-K79 WeakPolarHBondContact OE2-CE 3.4Š| ||
| 78 | P | 36.3 | Very low | 28.8 | Very low | 106 Ų | 106 | 148.4 Ų | 148.4 | 69% | 0.688 | 75% | 0.745 | S | S | * | * | -153.8 | 160.3 | 57.8 | 39.4 | -17.6 | 0 | 0 | 0 | 119.5 | |||||
| 79 | K | 29.6 | Very low | 29.4 | Very low | 173 Ų | 173 | 149.6 Ų | 149.6 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | 31.7 | 126.7 | 137.4 | -59.4 | 152.3 | -167.2 | 164.2 | 0 | 118.1 | E77 | E77-K79 WeakPolarHBondContact OE2-CE 3.4Š| ||
| 80 | K | 29.3 | Very low | 30.1 | Very low | 172 Ų | 172 | 149.7 Ų | 149.7 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | -151.9 | -162.7 | 53.2 | -130.8 | 165.1 | 156.8 | -80.1 | 0 | 108.8 | |||||
| 81 | D | 28.5 | Very low | 30.8 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 60% | 0.604 | 76% | 0.755 | S | S | * | * | cis | -154.5 | -177.1 | 8.1 | -140.1 | -32.5 | 0 | 0 | 0 | 114.1 | ||||
| 82 | E | 32.3 | Very low | 31.6 | Very low | 173 Ų | 173 | 156.2 Ų | 156.2 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -63.3 | 139.9 | 174.7 | -62.7 | -179.8 | 88 | 0 | 0 | 115.1 | ||||
| 83 | K | 28.5 | Very low | 32.2 | Very low | 213 Ų | 213 | 155.8 Ų | 155.8 | 93% | 0.926 | 77% | 0.766 | S | S | * | * | -162.4 | 162.2 | 100.5 | -158.6 | 147.4 | -174.4 | 167 | 0 | 112.4 | |||||
| 84 | D | 29.3 | Very low | 33.4 | Very low | 121 Ų | 121 | 156.4 Ų | 156.4 | 65% | 0.647 | 77% | 0.769 | S | S | * | * | trans | -101.7 | 160.2 | -159.5 | -163.5 | 10.8 | 0 | 0 | 0 | 114.6 | ||||
| 85 | Q | 29 | Very low | 35.3 | Very low | 166 Ų | 166 | 158.9 Ų | 158.9 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 63.2 | 144.5 | 163.1 | -77.2 | 163.1 | 70.3 | 0 | 0 | 118.6 | ||||
| 86 | S | 30.4 | Very low | 37.6 | Very low | 104 Ų | 104 | 160.5 Ų | 160.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | cis | -144.9 | 138 | 9.6 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | E88 | S86-E88 PolarHBondContact O-N 2.85Š| ||
| 87 | K | 31.9 | Very low | 40.1 | Very low | 204 Ų | 204 | 155.9 Ų | 155.9 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | trans | -83.7 | 98.4 | 162.1 | -87.6 | -179.8 | 175.9 | 169.8 | 0 | 108.9 | K89 | K87-K89 PolarHBondContact O-N 2.84Š| ||
| 88 | E | 33.8 | Very low | 42.8 | Very low | 177 Ų | 177 | 150 Ų | 150 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | trans | -62.8 | 97.8 | 171.8 | -172.7 | 168.1 | -151.7 | 0 | 0 | 109.8 | S86 E90 | S86-E88 PolarHBondContact O-N 2.85Å; E88-E90 VanDerWaalsContact C-N 3.33Å; E88-E90 PolarHBondContact O-N 3.14Å | ||
| 89 | K | 36 | Very low | 44.9 | Very low | 187 Ų | 187 | 149.6 Ų | 149.6 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | -72.1 | 91.8 | 173.3 | -75.7 | -179.8 | 178.6 | 172.3 | 0 | 108.4 | K87 K91 | K87-K89 PolarHBondContact O-N 2.84Å; K89-K91 PolarHBondContact O-N 3.34Å | ||
| 90 | E | 40.1 | Very low | 47.5 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 77% | 0.771 | 70% | 0.698 | S | S | * | * | trans | -43 | 107.8 | 168.5 | -74.2 | -165.1 | 137 | 0 | 0 | 109.8 | E88 K92 | E88-E90 VanDerWaalsContact C-N 3.33Å; E88-E90 PolarHBondContact O-N 3.14Å; E90-K92 PolarHBondContact O-N 2.96Å | ||
| 91 | K | 37.8 | Very low | 50.1 | Low | 193 Ų | 193 | 134.4 Ų | 134.4 | 84% | 0.839 | 66% | 0.663 | S | S | * | * | trans | -65.7 | 106.1 | 169.5 | -71.6 | 171.1 | -176.2 | 163.7 | 0 | 105.4 | K89 V93 | K89-K91 PolarHBondContact O-N 3.34Å; K91-V93 PolarHBondContact O-N 2.86Å | ||
| 92 | K | 40.4 | Very low | 52.5 | Low | 193 Ų | 193 | 131.8 Ų | 131.8 | 84% | 0.839 | 65% | 0.651 | S | S | * | * | trans | -60.6 | 82.5 | 174.7 | -68.3 | -172.5 | 178.2 | -176 | 0 | 109.7 | E90 K94 | E90-K92 PolarHBondContact O-N 2.96Å; K92-K94 PolarHBondContact O-N 3.45Å; K92-K94 VanDerWaalsContact O-N 3.11Å | ||
| 93 | V | 38.4 | Very low | 54.1 | Low | 123 Ų | 123 | 127 Ų | 127 | 75% | 0.745 | 63% | 0.63 | S | S | * | * | trans | -55.6 | 117.5 | 168.1 | 177.8 | 0 | 0 | 0 | 0 | 105.1 | K91 K95 | K91-V93 PolarHBondContact O-N 2.86Å; V93-K95 PolarHBondContact O-N 3.17Å | ||
| 94 | K | 55.6 | Low | 55.7 | Low | 190 Ų | 190 | 118.5 Ų | 118.5 | 83% | 0.826 | 60% | 0.598 | S | S | * | * | trans | -60.7 | 107.5 | 175.3 | -63.7 | -178.9 | -178.6 | -177 | 0 | 106 | K92 T96 | K92-K94 PolarHBondContact O-N 3.45Å; K92-K94 VanDerWaalsContact O-N 3.11Å; K94-T96 PolarHBondContact O-N 3.35Å | ||
| 95 | K | 69.3 | Low | 57.1 | Low | 146 Ų | 146 | 116.8 Ų | 116.8 | 64% | 0.635 | 60% | 0.6 | S | S | * | * | trans | -49.5 | 112.6 | 178.8 | -71 | -178.9 | 174.2 | -176 | 0 | 107.5 | V93 I97 N356 | V93-K95 PolarHBondContact O-N 3.17Å; K95-I97 PolarHBondContact O-N 3.24Å; K95-N356 PolarHBondContact NZ-OD1 2.92Å | ||
| 96 | T | 77.3 | Confident | 58.5 | Low | 124 Ų | 124 | 112.3 Ų | 112.3 | 76% | 0.761 | 59% | 0.588 | S | S | * | * | trans | -65.2 | 110.9 | 178 | -52.9 | 0 | 0 | 0 | 0 | 107.7 | K94 | K94-T96 PolarHBondContact O-N 3.35Š| ||
| 97 | I | 80.8 | Confident | 60.2 | Low | 92 Ų | 92 | 110.6 Ų | 110.6 | 47% | 0.472 | 57% | 0.568 | S | S | . | * | trans | -73 | 127.1 | 171.6 | -56.4 | 175.6 | 0 | 0 | 0 | 106.3 | K95 A101 W358 | K95-I97 PolarHBondContact O-N 3.24Å; I97-A101 HydrophobicContact CG2-CB 4.03Å; I97-A101 WeakPolarHBondContact CG2-O 2.99Å; I97-W358 HydrophobicContact CB-CZ2 4.41Å; I97-W358 HydrophobicContact CG1-CZ2 4.37Å; I97-W358 HydrophobicContact CG2-CZ2 4.4Å | ||
| 98 | P | 83.5 | Confident | 61.8 | Low | 16 Ų | 16 | 103.8 Ų | 103.8 | 10% | 0.104 | 54% | 0.541 | C | S | . | . | trans | -67 | 153.2 | 176.8 | 29.7 | -35 | 0 | 0 | 0 | 109.6 | W100 A101 T102 D223 W358 | P98-W100 HydrophobicContact CB-CG 4.48Å; P98-W100 HydrophobicContact CG-CD2 4.3Å; P98-W100 HydrophobicContact CG-CZ2 4.08Å; P98-W100 PolarHBondContact O-N 3.36Å; P98-A101 HydrophobicContact CG-CB 3.74Å; P98-A101 PolarHBondContact O-N 3.49Å; P98-T102 PolarHBondContact O-OG1 2.93Å; P98-D223 WeakPolarHBondContact CB-OD1 3.31Å; P98-W358 VanDerWaalsContact CD-CZ2 3.46Å; P98-W358 HydrophobicContact CG-CD2 4.37Å; P98-W358 HydrophobicContact CG-CE3 4.01Å; P98-W358 HydrophobicContact CG-CH2 4.2Å; P98-W358 HydrophobicContact CG-CZ3 3.92Å | ||
| 99 | A | 81.6 | Confident | 62.9 | Low | 97 Ų | 97 | 97.2 Ų | 97.2 | 80% | 0.802 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -58.3 | -29.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 100 | W | 83.5 | Confident | 64.4 | Low | 24 Ų | 24 | 96.9 Ų | 96.9 | 9% | 0.091 | 51% | 0.51 | C | S | . | . | G | 310 helix | trans | -78 | -28.4 | 177.7 | 65.9 | -103 | 0 | 0 | 0 | 114.1 | P98 T102 E222 P226 W358 L359 L373 Y377 | P98-W100 HydrophobicContact CB-CG 4.48Å; P98-W100 HydrophobicContact CG-CD2 4.3Å; P98-W100 HydrophobicContact CG-CZ2 4.08Å; P98-W100 PolarHBondContact O-N 3.36Å; W100-T102 PolarHBondContact O-N 2.9Å; W100-E222 VanDerWaalsContact CZ2-O 3.28Å; W100-E222 WeakPolarHBondContact CZ2-O 3.39Å; W100-E222 PolarHBondContact NE1-O 3.24Å; W100-P226 HydrophobicContact CB-CG 4.06Å; W100-P226 HydrophobicContact CD2-CB 4.31Å; W100-P226 HydrophobicContact CD2-CG 3.17Å; W100-P226 HydrophobicContact CE3-CB 4.41Å; W100-P226 HydrophobicContact CE3-CG 3.56Å; W100-P226 HydrophobicContact CG-CB 4.39Å; W100-P226 HydrophobicContact CG-CG 3.41Å; W100-P226 VanDerWaalsContact CG-CG 3.41Å; W100-P226 HydrophobicContact CH2-CG 4.24Å; W100-P226 HydrophobicContact CZ2-CG 3.91Å; W100-P226 HydrophobicContact CZ3-CG 4.08Å; W100-W358 HydrophobicContact CH2-CB 3.85Å; W100-W358 HydrophobicContact CZ3-CB 4.14Å; W100-L359 HydrophobicContact CH2-CD1 3.68Å; W100-L359 HydrophobicContact CZ3-CD1 4.17Å; W100-L373 HydrophobicContact CZ3-CD2 4.19Å; W100-Y377 HydrophobicContact CB-CD2 3.76Å; W100-Y377 HydrophobicContact CB-CE2 3.99Å |
| 101 | A | 83.5 | Confident | 65.4 | Low | 2 Ų | 2 | 91 Ų | 91 | 2% | 0.017 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -90.6 | 25.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I97 P98 W358 F375 | I97-A101 HydrophobicContact CG2-CB 4.03Å; I97-A101 WeakPolarHBondContact CG2-O 2.99Å; P98-A101 HydrophobicContact CG-CB 3.74Å; P98-A101 PolarHBondContact O-N 3.49Å; A101-W358 HydrophobicContact CB-CB 3.82Å; A101-W358 HydrophobicContact CB-CD2 3.84Å; A101-W358 HydrophobicContact CB-CG 3.47Å; A101-W358 VanDerWaalsContact CB-CG 3.47Å; A101-F375 HydrophobicContact CB-CD2 4.03Å; A101-F375 HydrophobicContact CB-CE2 4.28Å; A101-F375 WeakPolarHBondContact O-CE2 3.4Å; A101-F375 WeakPolarHBondContact O-CZ 3.48Å |
| 102 | T | 79.3 | Confident | 66.7 | Low | 57 Ų | 57 | 88 Ų | 88 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -108.7 | 138.2 | 175.1 | -60 | 0 | 0 | 0 | 0 | 107.6 | P98 W100 S104 L108 | P98-T102 PolarHBondContact O-OG1 2.93Å; W100-T102 PolarHBondContact O-N 2.9Å; T102-S104 PolarHBondContact O-N 3.39Å; T102-L108 HydrophobicContact CG2-CD1 4.08Å |
| 103 | L | 66.1 | Low | 67.5 | Low | 73 Ų | 73 | 89.3 Ų | 89.3 | 38% | 0.382 | 48% | 0.479 | S | S | . | . | trans | -47.8 | 138.4 | 173.9 | -74.5 | 174.2 | 0 | 0 | 0 | 110.8 | Q107 L108 F375 | L103-Q107 HydrophobicContact CB-CB 4.12Å; L103-Q107 HydrophobicContact CD2-CB 4.26Å; L103-L108 HydrophobicContact CB-CD2 3.9Å; L103-L108 HydrophobicContact CB-CG 3.83Å; L103-L108 HydrophobicContact CD1-CD2 4.33Å; L103-L108 VanDerWaalsContact O-CD1 3.31Å; L103-L108 WeakPolarHBondContact O-CD1 3.49Å; L103-L108 WeakPolarHBondContact O-CG 3.44Å; L103-F375 HydrophobicContact CD2-CD1 4.15Å; L103-F375 HydrophobicContact CD2-CE1 3.8Å; L103-F375 HydrophobicContact CG-CE1 3.96Å | ||
| 104 | S | 62.9 | Low | 68.3 | Low | 34 Ų | 34 | 91.4 Ų | 91.4 | 24% | 0.238 | 48% | 0.481 | C | S | . | . | trans | -55.8 | 151.1 | 178.9 | 65.1 | 0 | 0 | 0 | 0 | 111.1 | T102 S106 Q107 L108 | T102-S104 PolarHBondContact O-N 3.39Å; S104-S106 PolarHBondContact O-N 2.92Å; S104-S106 PolarHBondContact OG-OG 3.13Å; S104-Q107 VanDerWaalsContact N-OE1 3.12Å; S104-Q107 WeakPolarHBondContact O-CA 3.43Å; S104-Q107 PolarHBondContact O-N 2.86Å; S104-Q107 VanDerWaalsContact OG-CD 3.24Å; S104-Q107 WeakPolarHBondContact OG-CG 3.44Å; S104-Q107 PolarHBondContact OG-N 3.14Å; S104-Q107 PolarHBondContact OG-OE1 2.89Å; S104-L108 PolarHBondContact O-N 3.38Å | ||
| 105 | A | 58.8 | Low | 68.1 | Low | 85 Ų | 85 | 86.2 Ų | 86.2 | 70% | 0.702 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -54.7 | -30.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A109 | A105-A109 VanDerWaalsContact O-CB 3.22Å; A105-A109 WeakPolarHBondContact O-CB 3.47Å; A105-A109 PolarHBondContact O-N 3.18Å |
| 106 | S | 58.5 | Low | 67.1 | Low | 73 Ų | 73 | 85.4 Ų | 85.4 | 51% | 0.51 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -74.7 | -37 | 174.5 | 56 | 0 | 0 | 0 | 0 | 113.4 | S104 R110 | S104-S106 PolarHBondContact O-N 2.92Å; S104-S106 PolarHBondContact OG-OG 3.13Å; S106-R110 VanDerWaalsContact O-CG 3.31Å; S106-R110 WeakPolarHBondContact O-CG 3.49Å; S106-R110 PolarHBondContact O-N 2.79Å |
| 107 | Q | 65.2 | Low | 65.3 | Low | 68 Ų | 68 | 88.2 Ų | 88.2 | 32% | 0.318 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.2 | -43.5 | 171.8 | -73.6 | 163.1 | -40.4 | 0 | 0 | 111.4 | L103 S104 A109 R110 A111 | L103-Q107 HydrophobicContact CB-CB 4.12Å; L103-Q107 HydrophobicContact CD2-CB 4.26Å; S104-Q107 VanDerWaalsContact N-OE1 3.12Å; S104-Q107 WeakPolarHBondContact O-CA 3.43Å; S104-Q107 PolarHBondContact O-N 2.86Å; S104-Q107 VanDerWaalsContact OG-CD 3.24Å; S104-Q107 WeakPolarHBondContact OG-CG 3.44Å; S104-Q107 PolarHBondContact OG-N 3.14Å; S104-Q107 PolarHBondContact OG-OE1 2.89Å; Q107-A109 PolarHBondContact O-N 3.36Å; Q107-R110 PolarHBondContact O-N 2.95Å; Q107-A111 PolarHBondContact O-N 2.91Å |
| 108 | L | 65.4 | Low | 63.4 | Low | 61 Ų | 61 | 88.6 Ų | 88.6 | 32% | 0.319 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 171.6 | -74.7 | 174.8 | 0 | 0 | 0 | 111.5 | T102 L103 S104 R110 A111 Q112 | T102-L108 HydrophobicContact CG2-CD1 4.08Å; L103-L108 HydrophobicContact CB-CD2 3.9Å; L103-L108 HydrophobicContact CB-CG 3.83Å; L103-L108 HydrophobicContact CD1-CD2 4.33Å; L103-L108 VanDerWaalsContact O-CD1 3.31Å; L103-L108 WeakPolarHBondContact O-CD1 3.49Å; L103-L108 WeakPolarHBondContact O-CG 3.44Å; S104-L108 PolarHBondContact O-N 3.38Å; L108-R110 VanDerWaalsContact C-N 3.3Å; L108-R110 PolarHBondContact O-N 3.26Å; L108-A111 PolarHBondContact O-N 2.88Å; L108-Q112 VanDerWaalsContact O-CB 3.31Å; L108-Q112 WeakPolarHBondContact O-CB 3.08Å; L108-Q112 VanDerWaalsContact O-CG 3.23Å; L108-Q112 WeakPolarHBondContact O-CG 3.43Å; L108-Q112 PolarHBondContact O-N 3.12Å |
| 109 | A | 57.5 | Low | 61.6 | Low | 38 Ų | 38 | 91.4 Ų | 91.4 | 31% | 0.314 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -34 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A105 Q107 R113 | A105-A109 VanDerWaalsContact O-CB 3.22Å; A105-A109 WeakPolarHBondContact O-CB 3.47Å; A105-A109 PolarHBondContact O-N 3.18Å; Q107-A109 PolarHBondContact O-N 3.36Å; A109-R113 VanDerWaalsContact O-CB 3.32Å; A109-R113 WeakPolarHBondContact O-CB 3.24Å; A109-R113 WeakPolarHBondContact O-CD 3.27Å; A109-R113 WeakPolarHBondContact O-CG 3.27Å; A109-R113 PolarHBondContact O-N 3.33Å |
| 110 | R | 66.6 | Low | 59.9 | Low | 180 Ų | 180 | 90.4 Ų | 90.4 | 68% | 0.679 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69 | -48 | 173.6 | -75.9 | 172.4 | 178.7 | -177.7 | -0.9 | 111.8 | S106 Q107 L108 Q112 R113 Q114 | S106-R110 VanDerWaalsContact O-CG 3.31Å; S106-R110 WeakPolarHBondContact O-CG 3.49Å; S106-R110 PolarHBondContact O-N 2.79Å; Q107-R110 PolarHBondContact O-N 2.95Å; L108-R110 VanDerWaalsContact C-N 3.3Å; L108-R110 PolarHBondContact O-N 3.26Å; R110-Q112 PolarHBondContact O-N 3.09Å; R110-R113 PolarHBondContact O-N 2.83Å; R110-Q114 PolarHBondContact O-N 3.12Å; R110-Q114 VanDerWaalsContact O-N 3.12Å |
| 111 | A | 61.5 | Low | 58.4 | Low | 43 Ų | 43 | 95.5 Ų | 95.5 | 36% | 0.355 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q107 L108 R113 Q114 T115 | Q107-A111 PolarHBondContact O-N 2.91Å; L108-A111 PolarHBondContact O-N 2.88Å; A111-R113 VanDerWaalsContact C-N 3.33Å; A111-R113 PolarHBondContact O-N 3.06Å; A111-Q114 PolarHBondContact O-N 2.84Å; A111-Q114 VanDerWaalsContact O-N 3.12Å; A111-T115 PolarHBondContact O-N 2.93Å |
| 112 | Q | 64.3 | Low | 56.9 | Low | 128 Ų | 128 | 103.7 Ų | 103.7 | 60% | 0.598 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.6 | -33.6 | 175.5 | -71.4 | 172.1 | 3.3 | 0 | 0 | 112.6 | L108 R110 Q114 T115 | L108-Q112 VanDerWaalsContact O-CB 3.31Å; L108-Q112 WeakPolarHBondContact O-CB 3.08Å; L108-Q112 VanDerWaalsContact O-CG 3.23Å; L108-Q112 WeakPolarHBondContact O-CG 3.43Å; L108-Q112 PolarHBondContact O-N 3.12Å; R110-Q112 PolarHBondContact O-N 3.09Å; Q112-Q114 VanDerWaalsContact C-N 3.27Å; Q112-Q114 PolarHBondContact O-N 3.24Å; Q112-T115 PolarHBondContact O-N 2.86Å; Q112-T115 PolarHBondContact O-OG1 3.31Å |
| 113 | R | 57.3 | Low | 56.1 | Low | 221 Ų | 221 | 104.3 Ų | 104.3 | 83% | 0.834 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.1 | -20.7 | 172.5 | -78.3 | 170.7 | 179.4 | -141.5 | 1.3 | 113.7 | A109 R110 A111 | A109-R113 VanDerWaalsContact O-CB 3.32Å; A109-R113 WeakPolarHBondContact O-CB 3.24Å; A109-R113 WeakPolarHBondContact O-CD 3.27Å; A109-R113 WeakPolarHBondContact O-CG 3.27Å; A109-R113 PolarHBondContact O-N 3.33Å; R110-R113 PolarHBondContact O-N 2.83Å; A111-R113 VanDerWaalsContact C-N 3.33Å; A111-R113 PolarHBondContact O-N 3.06Å |
| 114 | Q | 56 | Low | 56.7 | Low | 168 Ų | 168 | 108.9 Ų | 108.9 | 79% | 0.785 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -85 | -17.2 | 173.4 | -71.5 | 172.3 | -27.2 | 0 | 0 | 112.6 | R110 A111 Q112 | R110-Q114 PolarHBondContact O-N 3.12Å; R110-Q114 VanDerWaalsContact O-N 3.12Å; A111-Q114 PolarHBondContact O-N 2.84Å; A111-Q114 VanDerWaalsContact O-N 3.12Å; Q112-Q114 VanDerWaalsContact C-N 3.27Å; Q112-Q114 PolarHBondContact O-N 3.24Å |
| 115 | T | 51.2 | Low | 57.8 | Low | 80 Ų | 80 | 108.7 Ų | 108.7 | 49% | 0.491 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -81.6 | 141.3 | 167.2 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | A111 Q112 M117 | A111-T115 PolarHBondContact O-N 2.93Å; Q112-T115 PolarHBondContact O-N 2.86Å; Q112-T115 PolarHBondContact O-OG1 3.31Å; T115-M117 PolarHBondContact O-N 2.93Å |
| 116 | P | 47.7 | Very low | 59.1 | Low | 129 Ų | 129 | 105.8 Ų | 105.8 | 84% | 0.838 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -61.1 | 133 | 178 | 24.5 | -33.2 | 0 | 0 | 0 | 111.2 | A118 | P116-A118 PolarHBondContact O-N 3.32Š|
| 117 | M | 40.8 | Very low | 60.6 | Low | 183 Ų | 183 | 104.9 Ų | 104.9 | 90% | 0.901 | 56% | 0.559 | S | S | * | * | trans | -45.6 | 115.8 | -157.3 | -58.9 | -176.5 | -170.8 | 0 | 0 | 116.4 | T115 S119 | T115-M117 PolarHBondContact O-N 2.93Å; M117-S119 PolarHBondContact O-N 3.11Å; M117-S119 VanDerWaalsContact O-N 3.11Å | ||
| 118 | A | 41.1 | Very low | 61.7 | Low | 101 Ų | 101 | 102 Ų | 102 | 84% | 0.835 | 55% | 0.546 | S | S | * | . | trans | -68.7 | 100.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | P116 | P116-A118 PolarHBondContact O-N 3.32Š| ||
| 119 | S | 44.7 | Very low | 62.9 | Low | 75 Ų | 75 | 99.1 Ų | 99.1 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | trans | -61.3 | 144.2 | -172.7 | 82 | 0 | 0 | 0 | 0 | 113 | M117 | M117-S119 PolarHBondContact O-N 3.11Å; M117-S119 VanDerWaalsContact O-N 3.11Å | ||
| 120 | S | 46.6 | Very low | 64.5 | Low | 75 Ų | 75 | 98.7 Ų | 98.7 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | trans | 19.2 | 138.1 | 148.5 | -179.8 | 0 | 0 | 0 | 0 | 118.8 | R122 | S120-R122 PolarHBondContact O-N 2.96Š| ||
| 121 | P | 50.8 | Low | 65.7 | Low | 131 Ų | 131 | 93.3 Ų | 93.3 | 85% | 0.851 | 51% | 0.507 | S | S | * | . | trans | -70.7 | 54.5 | -177.7 | 33.8 | -39.2 | 0 | 0 | 0 | 114.8 | ||||
| 122 | R | 53.6 | Low | 67.2 | Low | 174 Ų | 174 | 91.3 Ų | 91.3 | 66% | 0.657 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 129.6 | 163.1 | -62.4 | -176.9 | -117.2 | -102.7 | 4.7 | 108.1 | S120 K124 | S120-R122 PolarHBondContact O-N 2.96Å; R122-K124 PolarHBondContact O-N 3.22Å |
| 123 | P | 61.9 | Low | 68.5 | Low | 70 Ų | 70 | 85.2 Ų | 85.2 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 124.7 | 178 | 22.3 | -30.9 | 0 | 0 | 0 | 109.7 | A127 I128 | P123-A127 HydrophobicContact CB-CB 4.42Å; P123-I128 HydrophobicContact CB-CD1 4.46Å; P123-I128 HydrophobicContact CB-CG1 4.04Å; P123-I128 HydrophobicContact CG-CD1 4.12Å; P123-I128 HydrophobicContact CG-CG1 4.04Å; P123-I128 WeakPolarHBondContact O-CD1 3.24Å |
| 124 | K | 77.9 | Confident | 70.1 | Confident | 170 Ų | 170 | 81.6 Ų | 81.6 | 74% | 0.739 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 150 | 178.8 | -66.6 | 176.4 | -178.7 | 173.3 | 0 | 109.2 | R122 D126 A127 I128 | R122-K124 PolarHBondContact O-N 3.22Å; K124-D126 PolarHBondContact O-N 3.01Å; K124-A127 WeakPolarHBondContact O-CB 3.39Å; K124-A127 PolarHBondContact O-N 2.65Å; K124-I128 PolarHBondContact O-N 3Å |
| 125 | M | 86.1 | Confident | 71.8 | Confident | 29 Ų | 29 | 76.4 Ų | 76.4 | 14% | 0.143 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -48.5 | -33.2 | -175 | -172 | 65.7 | -153 | 0 | 0 | 114 | I128 L129 I151 L158 L160 L167 A170 | M125-I128 PolarHBondContact O-N 2.87Å; M125-L129 VanDerWaalsContact O-CB 3.25Å; M125-L129 WeakPolarHBondContact O-CB 3.1Å; M125-L129 PolarHBondContact O-N 2.94Å; M125-I151 HydrophobicContact CE-CD1 3.99Å; M125-L158 HydrophobicContact SD-CD1 4.04Å; M125-L158 HydrophobicContact SD-CD2 4.35Å; M125-L160 HydrophobicContact CE-CD1 4.44Å; M125-L167 HydrophobicContact CE-CD1 4.13Å; M125-A170 HydrophobicContact CG-CB 3.69Å |
| 126 | D | 86.8 | Confident | 73.5 | Confident | 24 Ų | 24 | 73.4 Ų | 73.4 | 13% | 0.128 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.2 | -35.3 | 178.8 | -51.1 | -27.9 | 0 | 0 | 0 | 112.8 | K124 T130 R173 R177 | K124-D126 PolarHBondContact O-N 3.01Å; D126-T130 WeakPolarHBondContact O-CB 3.38Å; D126-T130 PolarHBondContact O-N 3.41Å; D126-T130 PolarHBondContact O-OG1 3.45Å; D126-R173 IonicContact OD1-CZ 3.54Å; D126-R173 VanDerWaalsContact OD1-CZ 3.24Å; D126-R173 IonicContact OD1-NE 3.31Å; D126-R173 PolarHBondContact OD1-NE 3.25Å; D126-R173 IonicContact OD1-NH2 3.29Å; D126-R173 PolarHBondContact OD1-NH2 3.09Å; D126-R173 IonicContact OD2-CZ 3.91Å; D126-R173 IonicContact OD2-NE 2.64Å; D126-R173 PolarHBondContact OD2-NE 2.88Å; D126-R173 IonicContact OD2-NH2 2.71Å; D126-R173 PolarHBondContact OD2-NH2 3.37Å; D126-R177 IonicContact OD1-NH1 3.65Å; D126-R177 IonicContact OD2-CZ 3.08Å; D126-R177 IonicContact OD2-NH1 3.63Å; D126-R177 PolarHBondContact OD2-NH1 2.88Å; D126-R177 IonicContact OD2-NH2 3.28Å |
| 127 | A | 88.6 | Confident | 75.5 | Confident | 54 Ų | 54 | 72.8 Ų | 72.8 | 45% | 0.446 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -72.5 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P123 K124 L129 T130 E131 | P123-A127 HydrophobicContact CB-CB 4.42Å; K124-A127 WeakPolarHBondContact O-CB 3.39Å; K124-A127 PolarHBondContact O-N 2.65Å; A127-L129 VanDerWaalsContact C-N 3.28Å; A127-L129 PolarHBondContact O-N 3.18Å; A127-T130 PolarHBondContact O-N 3.41Å; A127-E131 WeakPolarHBondContact O-CB 3.44Å; A127-E131 PolarHBondContact O-N 2.76Å |
| 128 | I | 89.6 | Confident | 77.6 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 4% | 0.041 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.4 | -41 | 174.3 | -63.2 | 176.4 | 0 | 0 | 0 | 110.5 | P123 K124 M125 A132 I151 Y155 L158 | P123-I128 HydrophobicContact CB-CD1 4.46Å; P123-I128 HydrophobicContact CB-CG1 4.04Å; P123-I128 HydrophobicContact CG-CD1 4.12Å; P123-I128 HydrophobicContact CG-CG1 4.04Å; P123-I128 WeakPolarHBondContact O-CD1 3.24Å; K124-I128 PolarHBondContact O-N 3Å; M125-I128 PolarHBondContact O-N 2.87Å; I128-A132 VanDerWaalsContact O-CB 3.23Å; I128-A132 WeakPolarHBondContact O-CB 3.27Å; I128-A132 PolarHBondContact O-N 2.96Å; I128-I151 HydrophobicContact CG2-CB 4.48Å; I128-I151 HydrophobicContact CG2-CD1 4.04Å; I128-I151 HydrophobicContact CG2-CG1 3.86Å; I128-I151 HydrophobicContact CG2-CG2 3.8Å; I128-Y155 HydrophobicContact CB-CE2 4.49Å; I128-Y155 HydrophobicContact CD1-CD1 4.47Å; I128-Y155 HydrophobicContact CD1-CD2 4.41Å; I128-Y155 HydrophobicContact CD1-CG 4.39Å; I128-Y155 HydrophobicContact CG1-CD2 4.48Å; I128-Y155 HydrophobicContact CG1-CE2 4.18Å; I128-Y155 HydrophobicContact CG2-CD2 3.63Å; I128-Y155 HydrophobicContact CG2-CE2 3.78Å; I128-Y155 HydrophobicContact CG2-CG 4.46Å; I128-L158 HydrophobicContact CD1-CD1 3.85Å; I128-L158 HydrophobicContact CG2-CD1 4.33Å |
| 129 | L | 90.6 | Very high | 79.5 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 175.1 | 178.7 | 60 | 0 | 0 | 0 | 112.1 | M125 A127 A132 I133 I147 L167 A170 L171 E174 | M125-L129 VanDerWaalsContact O-CB 3.25Å; M125-L129 WeakPolarHBondContact O-CB 3.1Å; M125-L129 PolarHBondContact O-N 2.94Å; A127-L129 VanDerWaalsContact C-N 3.28Å; A127-L129 PolarHBondContact O-N 3.18Å; L129-A132 PolarHBondContact O-N 3.42Å; L129-I133 HydrophobicContact CD1-CD1 3.89Å; L129-I133 HydrophobicContact CD1-CG1 4.25Å; L129-I133 HydrophobicContact CG-CD1 3.96Å; L129-I133 VanDerWaalsContact O-CG1 3.27Å; L129-I133 WeakPolarHBondContact O-CG1 3.41Å; L129-I133 PolarHBondContact O-N 3.45Å; L129-I147 HydrophobicContact CD1-CG2 3.72Å; L129-L167 HydrophobicContact CD1-CD1 3.83Å; L129-A170 HydrophobicContact CD2-CB 3.9Å; L129-L171 HydrophobicContact CD1-CD2 3.91Å; L129-L171 HydrophobicContact CD1-CG 4.24Å; L129-L171 HydrophobicContact CD2-CD2 4.15Å; L129-L171 HydrophobicContact CD2-CG 4.27Å; L129-E174 HydrophobicContact CD2-CB 4.26Å |
| 130 | T | 90.7 | Very high | 81.2 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 18% | 0.184 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | 178.4 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | D126 A127 K134 V194 | D126-T130 WeakPolarHBondContact O-CB 3.38Å; D126-T130 PolarHBondContact O-N 3.41Å; D126-T130 PolarHBondContact O-OG1 3.45Å; A127-T130 PolarHBondContact O-N 3.41Å; T130-K134 WeakPolarHBondContact O-CG 3.26Å; T130-K134 PolarHBondContact O-N 3.44Å; T130-V194 HydrophobicContact CG2-CG1 4.27Å; T130-V194 HydrophobicContact CG2-CG2 4.04Å |
| 131 | E | 92.2 | Very high | 83.2 | Confident | 67 Ų | 67 | 71.9 Ų | 71.9 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.2 | -49 | 173.2 | -174.8 | -171.1 | -136.7 | 0 | 0 | 111.4 | A127 I133 K134 A135 K154 Y155 | A127-E131 WeakPolarHBondContact O-CB 3.44Å; A127-E131 PolarHBondContact O-N 2.76Å; E131-I133 VanDerWaalsContact C-N 3.32Å; E131-I133 PolarHBondContact O-N 3.29Å; E131-K134 PolarHBondContact O-N 3.46Å; E131-K134 VanDerWaalsContact O-N 3.12Å; E131-A135 WeakPolarHBondContact O-CB 3.24Å; E131-A135 PolarHBondContact O-N 3.23Å; E131-K154 IonicContact OE1-NZ 2.65Å; E131-K154 PolarHBondContact OE1-NZ 3.44Å; E131-K154 WeakPolarHBondContact OE2-CE 3.38Å; E131-K154 IonicContact OE2-NZ 3.25Å; E131-K154 PolarHBondContact OE2-NZ 3.36Å; E131-Y155 WeakPolarHBondContact OE2-CE2 3.45Å; E131-Y155 PolarHBondContact OE2-OH 3.41Å |
| 132 | A | 92.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -37.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I128 L129 S136 I147 Y150 I151 | I128-A132 VanDerWaalsContact O-CB 3.23Å; I128-A132 WeakPolarHBondContact O-CB 3.27Å; I128-A132 PolarHBondContact O-N 2.96Å; L129-A132 PolarHBondContact O-N 3.42Å; A132-S136 WeakPolarHBondContact O-CB 3.32Å; A132-S136 PolarHBondContact O-N 3.28Å; A132-S136 PolarHBondContact O-OG 3.4Å; A132-I147 HydrophobicContact CB-CG2 4.02Å; A132-Y150 HydrophobicContact CB-CD1 3.52Å; A132-Y150 HydrophobicContact CB-CE1 4.1Å; A132-Y150 HydrophobicContact CB-CG 4.31Å; A132-I151 HydrophobicContact CB-CD1 3.81Å; A132-I151 HydrophobicContact CB-CG1 3.6Å |
| 133 | I | 91.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 175 | -68.4 | 165.7 | 0 | 0 | 0 | 111.2 | L129 E131 F137 A142 I147 I180 F192 V194 | L129-I133 HydrophobicContact CD1-CD1 3.89Å; L129-I133 HydrophobicContact CD1-CG1 4.25Å; L129-I133 HydrophobicContact CG-CD1 3.96Å; L129-I133 VanDerWaalsContact O-CG1 3.27Å; L129-I133 WeakPolarHBondContact O-CG1 3.41Å; L129-I133 PolarHBondContact O-N 3.45Å; E131-I133 VanDerWaalsContact C-N 3.32Å; E131-I133 PolarHBondContact O-N 3.29Å; I133-F137 WeakPolarHBondContact O-CB 3.28Å; I133-F137 PolarHBondContact O-N 2.92Å; I133-A142 HydrophobicContact CB-CB 4.33Å; I133-A142 HydrophobicContact CG1-CB 4.43Å; I133-A142 HydrophobicContact CG2-CB 4.05Å; I133-I147 HydrophobicContact CD1-CD1 4.29Å; I133-I147 HydrophobicContact CG1-CD1 3.57Å; I133-I147 HydrophobicContact CG1-CG1 3.93Å; I133-I180 HydrophobicContact CD1-CB 4.49Å; I133-I180 HydrophobicContact CD1-CD1 4.14Å; I133-I180 HydrophobicContact CD1-CG2 3.76Å; I133-F192 HydrophobicContact CD1-CB 4.25Å; I133-V194 HydrophobicContact CB-CG2 4.04Å; I133-V194 HydrophobicContact CG2-CG2 3.68Å |
| 134 | K | 91.1 | Very high | 88.2 | Confident | 145 Ų | 145 | 56.9 Ų | 56.9 | 63% | 0.63 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.7 | -46.1 | 174.8 | -72.7 | 176.4 | 178 | -174 | 0 | 111.8 | T130 E131 F137 V194 | T130-K134 WeakPolarHBondContact O-CG 3.26Å; T130-K134 PolarHBondContact O-N 3.44Å; E131-K134 PolarHBondContact O-N 3.46Å; E131-K134 VanDerWaalsContact O-N 3.12Å; K134-F137 WeakPolarHBondContact O-CB 3.45Å; K134-V194 HydrophobicContact CG-CG2 4.27Å |
| 135 | A | 90.9 | Very high | 88.8 | Confident | 58 Ų | 58 | 54.2 Ų | 54.2 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -75.6 | -25.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E131 Y150 | E131-A135 WeakPolarHBondContact O-CB 3.24Å; E131-A135 PolarHBondContact O-N 3.23Å; A135-Y150 HydrophobicContact CB-CD2 4.04Å; A135-Y150 HydrophobicContact CB-CE1 4.18Å; A135-Y150 HydrophobicContact CB-CE2 3.34Å; A135-Y150 VanDerWaalsContact CB-CZ 3.42Å; A135-Y150 WeakPolarHBondContact CB-OH 3.46Å |
| 136 | S | 88.3 | Confident | 89.1 | Confident | 17 Ų | 17 | 54 Ų | 54 | 12% | 0.119 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 18.5 | 176.8 | -46.2 | 0 | 0 | 0 | 0 | 112.8 | A132 A142 Y150 | A132-S136 WeakPolarHBondContact O-CB 3.32Å; A132-S136 PolarHBondContact O-N 3.28Å; A132-S136 PolarHBondContact O-OG 3.4Å; S136-A142 WeakPolarHBondContact O-CA 3.25Å; S136-A142 VanDerWaalsContact O-CB 3.25Å; S136-A142 WeakPolarHBondContact O-CB 3.39Å; S136-Y150 WeakPolarHBondContact OG-CB 3.46Å |
| 137 | F | 88.3 | Confident | 89.3 | Confident | 116 Ų | 116 | 52.8 Ų | 52.8 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | trans | -70.2 | 129.6 | -175.8 | -174.5 | -94.4 | 0 | 0 | 0 | 111.4 | I133 K134 V193 | I133-F137 WeakPolarHBondContact O-CB 3.28Å; I133-F137 PolarHBondContact O-N 2.92Å; K134-F137 WeakPolarHBondContact O-CB 3.45Å; F137-V193 HydrophobicContact CE2-CB 4.47Å; F137-V193 HydrophobicContact CE2-CG1 3.99Å; F137-V193 HydrophobicContact CE2-CG2 3.85Å | ||
| 138 | Q | 85.4 | Confident | 89.4 | Confident | 113 Ų | 113 | 54.4 Ų | 54.4 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | trans | -121 | 173.7 | 174 | -62.4 | -179 | -22.3 | 0 | 0 | 109.5 | T140 G141 | Q138-T140 PolarHBondContact O-N 3.45Å; Q138-G141 PolarHBondContact O-N 3.13Å | ||
| 139 | K | 81 | Confident | 89.6 | Confident | 219 Ų | 219 | 61.7 Ų | 61.7 | 95% | 0.952 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -24.8 | -179.6 | -64.7 | -175 | 179.1 | -177.6 | 0 | 114.3 | ||
| 140 | T | 80.9 | Confident | 89.7 | Confident | 84 Ų | 84 | 64.5 Ų | 64.5 | 52% | 0.515 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 15.2 | 178.9 | 56.5 | 0 | 0 | 0 | 0 | 114 | Q138 S191 | Q138-T140 PolarHBondContact O-N 3.45Å; T140-S191 VanDerWaalsContact O-CB 3.26Å; T140-S191 WeakPolarHBondContact O-CB 3.23Å |
| 141 | G | 87.3 | Confident | 89.7 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | 90.7 | 175 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q138 | Q138-G141 PolarHBondContact O-N 3.13Š| ||
| 142 | A | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 126.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I133 S136 I147 S191 F192 | I133-A142 HydrophobicContact CB-CB 4.33Å; I133-A142 HydrophobicContact CG1-CB 4.43Å; I133-A142 HydrophobicContact CG2-CB 4.05Å; S136-A142 WeakPolarHBondContact O-CA 3.25Å; S136-A142 VanDerWaalsContact O-CB 3.25Å; S136-A142 WeakPolarHBondContact O-CB 3.39Å; A142-I147 HydrophobicContact CB-CD1 4.04Å; A142-I147 HydrophobicContact CB-CG1 3.88Å; A142-S191 CarbonylContact O-C 3.34Å; A142-S191 WeakPolarHBondContact O-CA 3.42Å; A142-F192 PolarHBondContact N-O 3.12Å; A142-F192 PolarHBondContact O-N 3.03Å |
| 143 | S | 91.4 | Very high | 89.6 | Confident | 34 Ų | 34 | 70 Ų | 70 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 154.4 | 178.1 | 75.6 | 0 | 0 | 0 | 0 | 112.5 | V145 A146 I147 G190 | S143-V145 PolarHBondContact O-N 3.2Å; S143-V145 VanDerWaalsContact O-N 3.14Å; S143-A146 PolarHBondContact O-N 3.06Å; S143-A146 VanDerWaalsContact O-N 3.13Å; S143-A146 PolarHBondContact OG-N 3.38Å; S143-I147 WeakPolarHBondContact O-CD1 3.47Å; S143-I147 VanDerWaalsContact O-CG1 3.24Å; S143-I147 WeakPolarHBondContact O-CG1 3.44Å; S143-I147 PolarHBondContact O-N 3Å; S143-G190 WeakPolarHBondContact CA-O 3.42Å |
| 144 | V | 90.3 | Very high | 89.5 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 15% | 0.152 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -51.4 | -38 | 174.8 | -174.9 | 0 | 0 | 0 | 0 | 112.2 | R148 L167 L171 A188 G190 F192 | V144-R148 VanDerWaalsContact O-CB 3.24Å; V144-R148 WeakPolarHBondContact O-CB 3.4Å; V144-R148 PolarHBondContact O-N 2.82Å; V144-L167 HydrophobicContact CG1-CD2 4.28Å; V144-L171 HydrophobicContact CG1-CD1 4.38Å; V144-L171 HydrophobicContact CG2-CD1 4.27Å; V144-A188 VanDerWaalsContact CG2-O 3.27Å; V144-A188 WeakPolarHBondContact CG2-O 3.27Å; V144-G190 PolarHBondContact N-O 2.57Å; V144-F192 HydrophobicContact CG2-CD2 4.47Å; V144-F192 HydrophobicContact CG2-CE2 3.71Å |
| 145 | V | 90.7 | Very high | 89.4 | Confident | 114 Ų | 114 | 69.8 Ų | 69.8 | 69% | 0.691 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -69.9 | -44.6 | -178.1 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | S143 R148 K149 | S143-V145 PolarHBondContact O-N 3.2Å; S143-V145 VanDerWaalsContact O-N 3.14Å; V145-R148 PolarHBondContact O-N 3.33Å; V145-K149 WeakPolarHBondContact O-CB 3.49Å; V145-K149 PolarHBondContact O-N 3.24Å |
| 146 | A | 91.1 | Very high | 89 | Confident | 24 Ų | 24 | 71.7 Ų | 71.7 | 20% | 0.198 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S143 R148 K149 Y150 | S143-A146 PolarHBondContact O-N 3.06Å; S143-A146 VanDerWaalsContact O-N 3.13Å; S143-A146 PolarHBondContact OG-N 3.38Å; A146-R148 VanDerWaalsContact C-N 3.32Å; A146-R148 PolarHBondContact O-N 3.22Å; A146-K149 PolarHBondContact O-N 3.06Å; A146-Y150 WeakPolarHBondContact O-CB 3.29Å; A146-Y150 PolarHBondContact O-N 3.5Å |
| 147 | I | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.4 | -45.8 | 175 | -64.7 | 161.3 | 0 | 0 | 0 | 110.7 | L129 A132 I133 A142 S143 I151 L167 F192 | L129-I147 HydrophobicContact CD1-CG2 3.72Å; A132-I147 HydrophobicContact CB-CG2 4.02Å; I133-I147 HydrophobicContact CD1-CD1 4.29Å; I133-I147 HydrophobicContact CG1-CD1 3.57Å; I133-I147 HydrophobicContact CG1-CG1 3.93Å; A142-I147 HydrophobicContact CB-CD1 4.04Å; A142-I147 HydrophobicContact CB-CG1 3.88Å; S143-I147 WeakPolarHBondContact O-CD1 3.47Å; S143-I147 VanDerWaalsContact O-CG1 3.24Å; S143-I147 WeakPolarHBondContact O-CG1 3.44Å; S143-I147 PolarHBondContact O-N 3Å; I147-I151 HydrophobicContact CG2-CD1 3.79Å; I147-I151 VanDerWaalsContact O-CG1 3.28Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.39Å; I147-I151 VanDerWaalsContact O-N 3.09Å; I147-L167 HydrophobicContact CG2-CD1 3.86Å; I147-L167 HydrophobicContact CG2-CD2 4.47Å; I147-F192 HydrophobicContact CD1-CD2 4.29Å |
| 148 | R | 91.1 | Very high | 88.4 | Confident | 87 Ų | 87 | 72.6 Ų | 72.6 | 33% | 0.328 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.1 | -52.1 | 177.2 | -176.4 | -174.6 | -71.1 | -171.1 | -2 | 110.8 | V144 V145 A146 Y150 I151 I152 L167 | V144-R148 VanDerWaalsContact O-CB 3.24Å; V144-R148 WeakPolarHBondContact O-CB 3.4Å; V144-R148 PolarHBondContact O-N 2.82Å; V145-R148 PolarHBondContact O-N 3.33Å; A146-R148 VanDerWaalsContact C-N 3.32Å; A146-R148 PolarHBondContact O-N 3.22Å; R148-Y150 VanDerWaalsContact C-N 3.31Å; R148-Y150 PolarHBondContact O-N 3.16Å; R148-I151 PolarHBondContact O-N 3.12Å; R148-I152 HydrophobicContact CG-CD1 3.64Å; R148-I152 HydrophobicContact CG-CG1 4.35Å; R148-I152 WeakPolarHBondContact O-CD1 3.5Å; R148-I152 VanDerWaalsContact O-CG1 3.26Å; R148-I152 WeakPolarHBondContact O-CG1 3.17Å; R148-I152 PolarHBondContact O-N 2.96Å; R148-L167 HydrophobicContact CB-CD2 3.78Å; R148-L167 HydrophobicContact CG-CD2 4.3Å |
| 149 | K | 93.4 | Very high | 88.2 | Confident | 161 Ų | 161 | 68.7 Ų | 68.7 | 70% | 0.7 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.9 | -42 | -179.6 | -171.8 | 175 | -179 | 178.4 | 0 | 111.8 | V145 A146 H153 | V145-K149 WeakPolarHBondContact O-CB 3.49Å; V145-K149 PolarHBondContact O-N 3.24Å; A146-K149 PolarHBondContact O-N 3.06Å; K149-H153 WeakPolarHBondContact O-CB 3.46Å; K149-H153 PolarHBondContact O-N 2.93Å; K149-H153 VanDerWaalsContact O-N 3.11Å |
| 150 | Y | 92.3 | Very high | 88.4 | Confident | 59 Ų | 59 | 58.4 Ų | 58.4 | 23% | 0.231 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 176.1 | -175.7 | -90.5 | 0 | 0 | 0 | 112.3 | A132 A135 S136 A146 R148 H153 K154 | A132-Y150 HydrophobicContact CB-CD1 3.52Å; A132-Y150 HydrophobicContact CB-CE1 4.1Å; A132-Y150 HydrophobicContact CB-CG 4.31Å; A135-Y150 HydrophobicContact CB-CD2 4.04Å; A135-Y150 HydrophobicContact CB-CE1 4.18Å; A135-Y150 HydrophobicContact CB-CE2 3.34Å; A135-Y150 VanDerWaalsContact CB-CZ 3.42Å; A135-Y150 WeakPolarHBondContact CB-OH 3.46Å; S136-Y150 WeakPolarHBondContact OG-CB 3.46Å; A146-Y150 WeakPolarHBondContact O-CB 3.29Å; A146-Y150 PolarHBondContact O-N 3.5Å; R148-Y150 VanDerWaalsContact C-N 3.31Å; R148-Y150 PolarHBondContact O-N 3.16Å; Y150-H153 PolarHBondContact O-N 2.88Å; Y150-K154 HydrophobicContact CE1-CB 4.41Å; Y150-K154 HydrophobicContact CE1-CD 3.66Å; Y150-K154 WeakPolarHBondContact O-CB 3.5Å; Y150-K154 PolarHBondContact O-N 3.17Å; Y150-K154 VanDerWaalsContact OH-CD 3.32Å; Y150-K154 WeakPolarHBondContact OH-CD 3.28Å; Y150-K154 PolarHBondContact OH-NZ 3.46Å |
| 151 | I | 91.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.6 | -33.8 | -177.3 | -59.5 | 167.6 | 0 | 0 | 0 | 111.3 | M125 I128 A132 I147 R148 Y155 L158 L160 L167 | M125-I151 HydrophobicContact CE-CD1 3.99Å; I128-I151 HydrophobicContact CG2-CB 4.48Å; I128-I151 HydrophobicContact CG2-CD1 4.04Å; I128-I151 HydrophobicContact CG2-CG1 3.86Å; I128-I151 HydrophobicContact CG2-CG2 3.8Å; A132-I151 HydrophobicContact CB-CD1 3.81Å; A132-I151 HydrophobicContact CB-CG1 3.6Å; I147-I151 HydrophobicContact CG2-CD1 3.79Å; I147-I151 VanDerWaalsContact O-CG1 3.28Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.39Å; I147-I151 VanDerWaalsContact O-N 3.09Å; R148-I151 PolarHBondContact O-N 3.12Å; I151-Y155 HydrophobicContact CG2-CD2 4.32Å; I151-Y155 CarbonylContact O-C 3.56Å; I151-Y155 VanDerWaalsContact O-CA 3.28Å; I151-Y155 WeakPolarHBondContact O-CA 3.45Å; I151-Y155 WeakPolarHBondContact O-CB 3.13Å; I151-Y155 PolarHBondContact O-N 2.85Å; I151-L158 HydrophobicContact CG2-CD1 3.59Å; I151-L160 HydrophobicContact CB-CD1 3.8Å; I151-L160 HydrophobicContact CD1-CD1 4.39Å; I151-L160 HydrophobicContact CG2-CD1 3.46Å; I151-L160 VanDerWaalsContact CG2-CD1 3.46Å; I151-L160 HydrophobicContact CG2-CG 4.46Å; I151-L167 HydrophobicContact CD1-CD1 4.26Å |
| 152 | I | 91.4 | Very high | 88.3 | Confident | 45 Ų | 45 | 71.7 Ų | 71.7 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.4 | -50.8 | 171.5 | -67.6 | 159.5 | 0 | 0 | 0 | 110.5 | R148 P156 L160 E161 | R148-I152 HydrophobicContact CG-CD1 3.64Å; R148-I152 HydrophobicContact CG-CG1 4.35Å; R148-I152 WeakPolarHBondContact O-CD1 3.5Å; R148-I152 VanDerWaalsContact O-CG1 3.26Å; R148-I152 WeakPolarHBondContact O-CG1 3.17Å; R148-I152 PolarHBondContact O-N 2.96Å; I152-P156 WeakPolarHBondContact O-CA 3.46Å; I152-P156 WeakPolarHBondContact O-CD 3.43Å; I152-L160 HydrophobicContact CG1-CB 4.17Å; I152-E161 WeakPolarHBondContact CD1-OE1 3.37Å; I152-E161 WeakPolarHBondContact CD1-OE2 3.24Å; I152-E161 WeakPolarHBondContact CG1-OE2 3.49Å; I152-E161 VanDerWaalsContact CG2-OE2 3.24Å; I152-E161 WeakPolarHBondContact CG2-OE2 3.22Å |
| 153 | H | 89.9 | Confident | 87.9 | Confident | 167 Ų | 167 | 77.9 Ų | 77.9 | 77% | 0.773 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -68.2 | -38.9 | -175.4 | -169.3 | -81 | 0 | 0 | 0 | 112.9 | K149 Y150 | K149-H153 WeakPolarHBondContact O-CB 3.46Å; K149-H153 PolarHBondContact O-N 2.93Å; K149-H153 VanDerWaalsContact O-N 3.11Å; Y150-H153 PolarHBondContact O-N 2.88Å |
| 154 | K | 90.8 | Very high | 87.5 | Confident | 89 Ų | 89 | 77 Ų | 77 | 39% | 0.387 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -90.2 | -26.2 | -177 | -172.1 | 168.9 | 169.9 | 171 | 0 | 114 | E131 Y150 | E131-K154 IonicContact OE1-NZ 2.65Å; E131-K154 PolarHBondContact OE1-NZ 3.44Å; E131-K154 WeakPolarHBondContact OE2-CE 3.38Å; E131-K154 IonicContact OE2-NZ 3.25Å; E131-K154 PolarHBondContact OE2-NZ 3.36Å; Y150-K154 HydrophobicContact CE1-CB 4.41Å; Y150-K154 HydrophobicContact CE1-CD 3.66Å; Y150-K154 WeakPolarHBondContact O-CB 3.5Å; Y150-K154 PolarHBondContact O-N 3.17Å; Y150-K154 VanDerWaalsContact OH-CD 3.32Å; Y150-K154 WeakPolarHBondContact OH-CD 3.28Å; Y150-K154 PolarHBondContact OH-NZ 3.46Å |
| 155 | Y | 87.8 | Confident | 87.4 | Confident | 54 Ų | 54 | 82.2 Ų | 82.2 | 21% | 0.212 | 40% | 0.398 | C | S | . | . | trans | -136 | 60.8 | -176.4 | -61.5 | -73.3 | 0 | 0 | 0 | 112.1 | I128 E131 I151 S157 L158 | I128-Y155 HydrophobicContact CB-CE2 4.49Å; I128-Y155 HydrophobicContact CD1-CD1 4.47Å; I128-Y155 HydrophobicContact CD1-CD2 4.41Å; I128-Y155 HydrophobicContact CD1-CG 4.39Å; I128-Y155 HydrophobicContact CG1-CD2 4.48Å; I128-Y155 HydrophobicContact CG1-CE2 4.18Å; I128-Y155 HydrophobicContact CG2-CD2 3.63Å; I128-Y155 HydrophobicContact CG2-CE2 3.78Å; I128-Y155 HydrophobicContact CG2-CG 4.46Å; E131-Y155 WeakPolarHBondContact OE2-CE2 3.45Å; E131-Y155 PolarHBondContact OE2-OH 3.41Å; I151-Y155 HydrophobicContact CG2-CD2 4.32Å; I151-Y155 CarbonylContact O-C 3.56Å; I151-Y155 VanDerWaalsContact O-CA 3.28Å; I151-Y155 WeakPolarHBondContact O-CA 3.45Å; I151-Y155 WeakPolarHBondContact O-CB 3.13Å; I151-Y155 PolarHBondContact O-N 2.85Å; Y155-S157 PolarHBondContact O-N 2.93Å; Y155-L158 WeakPolarHBondContact O-CB 3.41Å; Y155-L158 PolarHBondContact O-N 2.92Å | ||
| 156 | P | 83.9 | Confident | 87.4 | Confident | 97 Ų | 97 | 79.1 Ų | 79.1 | 63% | 0.63 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -57.8 | -26.7 | -179.1 | 23.2 | -34.2 | 0 | 0 | 0 | 113 | I152 L158 G159 | I152-P156 WeakPolarHBondContact O-CA 3.46Å; I152-P156 WeakPolarHBondContact O-CD 3.43Å; P156-L158 PolarHBondContact O-N 3.04Å; P156-L158 VanDerWaalsContact O-N 3.16Å; P156-G159 PolarHBondContact O-N 2.68Å |
| 157 | S | 81.5 | Confident | 87.3 | Confident | 110 Ų | 110 | 78 Ų | 78 | 77% | 0.769 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -61.7 | -15.6 | 174.9 | 55.3 | 0 | 0 | 0 | 0 | 115.2 | Y155 | Y155-S157 PolarHBondContact O-N 2.93Š|
| 158 | L | 81.8 | Confident | 87.2 | Confident | 42 Ų | 42 | 84 Ų | 84 | 22% | 0.22 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -75.5 | -23.9 | 170.5 | -81.3 | 168.1 | 0 | 0 | 0 | 113.1 | M125 I128 I151 Y155 P156 L160 | M125-L158 HydrophobicContact SD-CD1 4.04Å; M125-L158 HydrophobicContact SD-CD2 4.35Å; I128-L158 HydrophobicContact CD1-CD1 3.85Å; I128-L158 HydrophobicContact CG2-CD1 4.33Å; I151-L158 HydrophobicContact CG2-CD1 3.59Å; Y155-L158 WeakPolarHBondContact O-CB 3.41Å; Y155-L158 PolarHBondContact O-N 2.92Å; P156-L158 PolarHBondContact O-N 3.04Å; P156-L158 VanDerWaalsContact O-N 3.16Å; L158-L160 HydrophobicContact CB-CG 4.27Å; L158-L160 PolarHBondContact O-N 2.99Å |
| 159 | G | 82.2 | Confident | 87.1 | Confident | 31 Ų | 31 | 85.5 Ų | 85.5 | 32% | 0.32 | 41% | 0.405 | S | S | . | . | trans | 63.2 | 37.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P156 E161 R162 R163 | P156-G159 PolarHBondContact O-N 2.68Å; G159-E161 VanDerWaalsContact C-N 3.26Å; G159-E161 PolarHBondContact O-N 2.92Å; G159-R162 PolarHBondContact O-N 3.18Å; G159-R163 PolarHBondContact O-N 3.21Å; G159-R163 VanDerWaalsContact O-N 3.12Å | ||
| 160 | L | 84.4 | Confident | 87 | Confident | 4 Ų | 4 | 78 Ų | 78 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.6 | -173.1 | -79.4 | -176.3 | 0 | 0 | 0 | 115 | M125 I151 I152 L158 R162 R163 G164 L166 L167 | M125-L160 HydrophobicContact CE-CD1 4.44Å; I151-L160 HydrophobicContact CB-CD1 3.8Å; I151-L160 HydrophobicContact CD1-CD1 4.39Å; I151-L160 HydrophobicContact CG2-CD1 3.46Å; I151-L160 VanDerWaalsContact CG2-CD1 3.46Å; I151-L160 HydrophobicContact CG2-CG 4.46Å; I152-L160 HydrophobicContact CG1-CB 4.17Å; L158-L160 HydrophobicContact CB-CG 4.27Å; L158-L160 PolarHBondContact O-N 2.99Å; L160-R162 VanDerWaalsContact C-N 3.28Å; L160-R162 PolarHBondContact O-N 2.97Å; L160-R163 CarbonylContact O-C 3.53Å; L160-R163 PolarHBondContact O-N 3.15Å; L160-G164 PolarHBondContact O-N 2.67Å; L160-L166 HydrophobicContact CD2-CB 4.18Å; L160-L167 HydrophobicContact CD2-CB 4.35Å |
| 161 | E | 82.6 | Confident | 86.9 | Confident | 126 Ų | 126 | 75.1 Ų | 75.1 | 59% | 0.589 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.9 | -52 | 168.3 | -111 | 51.4 | -110.5 | 0 | 0 | 112.1 | I152 G159 | I152-E161 WeakPolarHBondContact CD1-OE1 3.37Å; I152-E161 WeakPolarHBondContact CD1-OE2 3.24Å; I152-E161 WeakPolarHBondContact CG1-OE2 3.49Å; I152-E161 VanDerWaalsContact CG2-OE2 3.24Å; I152-E161 WeakPolarHBondContact CG2-OE2 3.22Å; G159-E161 VanDerWaalsContact C-N 3.26Å; G159-E161 PolarHBondContact O-N 2.92Å |
| 162 | R | 82.8 | Confident | 86.8 | Confident | 237 Ų | 237 | 81.9 Ų | 81.9 | 89% | 0.894 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -16.8 | -179.5 | -64.9 | -168.1 | -77 | 175.7 | -6.1 | 112.9 | G159 L160 | G159-R162 PolarHBondContact O-N 3.18Å; L160-R162 VanDerWaalsContact C-N 3.28Å; L160-R162 PolarHBondContact O-N 2.97Å |
| 163 | R | 84.1 | Confident | 86.7 | Confident | 130 Ų | 130 | 84.7 Ų | 84.7 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | trans | -116.5 | 34.5 | -173.5 | -60.2 | -174.1 | 179.1 | 142.9 | -4.3 | 114.3 | G159 L160 Y165 L166 | G159-R163 PolarHBondContact O-N 3.21Å; G159-R163 VanDerWaalsContact O-N 3.12Å; L160-R163 CarbonylContact O-C 3.53Å; L160-R163 PolarHBondContact O-N 3.15Å; R163-Y165 HydrophobicContact CB-CD1 4.43Å; R163-Y165 HydrophobicContact CB-CE1 3.9Å; R163-Y165 HydrophobicContact CG-CE1 4.1Å; R163-Y165 PolarHBondContact O-N 3.18Å; R163-L166 HydrophobicContact CB-CD1 3.8Å; R163-L166 HydrophobicContact CB-CG 4.21Å; R163-L166 WeakPolarHBondContact O-CB 3.47Å; R163-L166 PolarHBondContact O-N 3.03Å | ||
| 164 | G | 82.4 | Confident | 86.7 | Confident | 14 Ų | 14 | 77.3 Ų | 77.3 | 14% | 0.144 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.9 | -14.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116 | L160 K168 | L160-G164 PolarHBondContact O-N 2.67Å; G164-K168 PolarHBondContact O-N 2.99Å |
| 165 | Y | 88.4 | Confident | 86.6 | Confident | 136 Ų | 136 | 75 Ų | 75 | 53% | 0.533 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.4 | -32.5 | 171.6 | 70 | -88.4 | 0 | 0 | 0 | 113 | R163 L167 K168 Q169 | R163-Y165 HydrophobicContact CB-CD1 4.43Å; R163-Y165 HydrophobicContact CB-CE1 3.9Å; R163-Y165 HydrophobicContact CG-CE1 4.1Å; R163-Y165 PolarHBondContact O-N 3.18Å; Y165-L167 VanDerWaalsContact C-N 3.3Å; Y165-L167 PolarHBondContact O-N 3.29Å; Y165-K168 PolarHBondContact O-N 3.16Å; Y165-Q169 WeakPolarHBondContact O-CB 3.41Å; Y165-Q169 PolarHBondContact O-N 3.18Å |
| 166 | L | 89.6 | Confident | 86.6 | Confident | 48 Ų | 48 | 78.9 Ų | 78.9 | 25% | 0.251 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 178.2 | -66.3 | 176 | 0 | 0 | 0 | 111.3 | L160 R163 Q169 A170 | L160-L166 HydrophobicContact CD2-CB 4.18Å; R163-L166 HydrophobicContact CB-CD1 3.8Å; R163-L166 HydrophobicContact CB-CG 4.21Å; R163-L166 WeakPolarHBondContact O-CB 3.47Å; R163-L166 PolarHBondContact O-N 3.03Å; L166-Q169 PolarHBondContact O-N 2.73Å; L166-A170 WeakPolarHBondContact O-CB 3.36Å; L166-A170 PolarHBondContact O-N 2.72Å |
| 167 | L | 90.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 80 Ų | 80 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.1 | -43 | 174.9 | 179.9 | 59.7 | 0 | 0 | 0 | 111.8 | M125 L129 V144 I147 R148 I151 L160 Y165 Q169 A170 L171 | M125-L167 HydrophobicContact CE-CD1 4.13Å; L129-L167 HydrophobicContact CD1-CD1 3.83Å; V144-L167 HydrophobicContact CG1-CD2 4.28Å; I147-L167 HydrophobicContact CG2-CD1 3.86Å; I147-L167 HydrophobicContact CG2-CD2 4.47Å; R148-L167 HydrophobicContact CB-CD2 3.78Å; R148-L167 HydrophobicContact CG-CD2 4.3Å; I151-L167 HydrophobicContact CD1-CD1 4.26Å; L160-L167 HydrophobicContact CD2-CB 4.35Å; Y165-L167 VanDerWaalsContact C-N 3.3Å; Y165-L167 PolarHBondContact O-N 3.29Å; L167-Q169 VanDerWaalsContact C-N 3.33Å; L167-Q169 PolarHBondContact O-N 3.31Å; L167-A170 PolarHBondContact O-N 3.19Å; L167-L171 HydrophobicContact CD1-CD1 4.22Å; L167-L171 HydrophobicContact CD1-CG 4.32Å; L167-L171 HydrophobicContact CG-CD1 4.11Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; L167-L171 PolarHBondContact O-N 2.92Å |
| 168 | K | 88.8 | Confident | 86.8 | Confident | 125 Ų | 125 | 76.8 Ų | 76.8 | 54% | 0.543 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 174.7 | -68.8 | -177.1 | 177.3 | -177.8 | 0 | 111.7 | G164 Y165 K172 A188 | G164-K168 PolarHBondContact O-N 2.99Å; Y165-K168 PolarHBondContact O-N 3.16Å; K168-K172 WeakPolarHBondContact O-CB 3.44Å; K168-K172 PolarHBondContact O-N 3.07Å; K168-A188 HydrophobicContact CB-CB 4.26Å; K168-A188 HydrophobicContact CG-CB 4.22Å |
| 169 | Q | 90.4 | Very high | 87 | Confident | 120 Ų | 120 | 76.2 Ų | 76.2 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68.6 | -41.8 | 179.3 | -169.4 | 179.7 | 14.4 | 0 | 0 | 112.1 | Y165 L166 L167 K172 R173 | Y165-Q169 WeakPolarHBondContact O-CB 3.41Å; Y165-Q169 PolarHBondContact O-N 3.18Å; L166-Q169 PolarHBondContact O-N 2.73Å; L167-Q169 VanDerWaalsContact C-N 3.33Å; L167-Q169 PolarHBondContact O-N 3.31Å; Q169-K172 PolarHBondContact O-N 2.67Å; Q169-R173 WeakPolarHBondContact O-CB 3.3Å; Q169-R173 PolarHBondContact O-N 2.89Å |
| 170 | A | 89.5 | Confident | 87.3 | Confident | 2 Ų | 2 | 75 Ų | 75 | 2% | 0.017 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M125 L129 L166 L167 K172 R173 E174 | M125-A170 HydrophobicContact CG-CB 3.69Å; L129-A170 HydrophobicContact CD2-CB 3.9Å; L166-A170 WeakPolarHBondContact O-CB 3.36Å; L166-A170 PolarHBondContact O-N 2.72Å; L167-A170 PolarHBondContact O-N 3.19Å; A170-K172 PolarHBondContact O-N 2.94Å; A170-R173 PolarHBondContact O-N 2.82Å; A170-E174 PolarHBondContact O-N 3.37Å |
| 171 | L | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.6 | -47.8 | 173.7 | -77.6 | 166 | 0 | 0 | 0 | 111.7 | L129 V144 L167 R173 E174 L175 I180 F192 | L129-L171 HydrophobicContact CD1-CD2 3.91Å; L129-L171 HydrophobicContact CD1-CG 4.24Å; L129-L171 HydrophobicContact CD2-CD2 4.15Å; L129-L171 HydrophobicContact CD2-CG 4.27Å; V144-L171 HydrophobicContact CG1-CD1 4.38Å; V144-L171 HydrophobicContact CG2-CD1 4.27Å; L167-L171 HydrophobicContact CD1-CD1 4.22Å; L167-L171 HydrophobicContact CD1-CG 4.32Å; L167-L171 HydrophobicContact CG-CD1 4.11Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; L167-L171 PolarHBondContact O-N 2.92Å; L171-R173 VanDerWaalsContact C-N 3.33Å; L171-R173 PolarHBondContact O-N 2.68Å; L171-E174 PolarHBondContact O-N 2.96Å; L171-L175 WeakPolarHBondContact O-CB 3.5Å; L171-L175 WeakPolarHBondContact O-CD1 3.44Å; L171-L175 VanDerWaalsContact O-CG 3.27Å; L171-L175 WeakPolarHBondContact O-CG 3.25Å; L171-L175 PolarHBondContact O-N 3.11Å; L171-I180 HydrophobicContact CD2-CD1 3.7Å; L171-F192 HydrophobicContact CD1-CE2 4.29Å; L171-F192 HydrophobicContact CD2-CD1 4.48Å; L171-F192 HydrophobicContact CD2-CD2 3.83Å; L171-F192 HydrophobicContact CD2-CE2 4.02Å; L171-F192 HydrophobicContact CD2-CG 4.08Å; L171-F192 HydrophobicContact CD2-CZ 4.43Å |
| 172 | K | 90.1 | Very high | 87.9 | Confident | 141 Ų | 141 | 78.9 Ų | 78.9 | 61% | 0.613 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.3 | -39.6 | 176.8 | -171.5 | 174.2 | -178.9 | 178.4 | 0 | 112.2 | K168 Q169 A170 N176 | K168-K172 WeakPolarHBondContact O-CB 3.44Å; K168-K172 PolarHBondContact O-N 3.07Å; Q169-K172 PolarHBondContact O-N 2.67Å; A170-K172 PolarHBondContact O-N 2.94Å; K172-N176 WeakPolarHBondContact O-CB 3.32Å; K172-N176 PolarHBondContact O-N 2.89Å; K172-N176 VanDerWaalsContact O-N 3.15Å; K172-N176 PolarHBondContact O-OD1 2.94Å |
| 173 | R | 89.6 | Confident | 88.1 | Confident | 105 Ų | 105 | 71.1 Ų | 71.1 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 175.9 | 175.8 | 162.7 | 68.3 | -155.1 | -0.5 | 112.3 | D126 Q169 A170 L171 N176 R177 | D126-R173 IonicContact OD1-CZ 3.54Å; D126-R173 VanDerWaalsContact OD1-CZ 3.24Å; D126-R173 IonicContact OD1-NE 3.31Å; D126-R173 PolarHBondContact OD1-NE 3.25Å; D126-R173 IonicContact OD1-NH2 3.29Å; D126-R173 PolarHBondContact OD1-NH2 3.09Å; D126-R173 IonicContact OD2-CZ 3.91Å; D126-R173 IonicContact OD2-NE 2.64Å; D126-R173 PolarHBondContact OD2-NE 2.88Å; D126-R173 IonicContact OD2-NH2 2.71Å; D126-R173 PolarHBondContact OD2-NH2 3.37Å; Q169-R173 WeakPolarHBondContact O-CB 3.3Å; Q169-R173 PolarHBondContact O-N 2.89Å; A170-R173 PolarHBondContact O-N 2.82Å; L171-R173 VanDerWaalsContact C-N 3.33Å; L171-R173 PolarHBondContact O-N 2.68Å; R173-N176 PolarHBondContact O-N 3.32Å; R173-R177 WeakPolarHBondContact O-CG 3.18Å; R173-R177 PolarHBondContact O-N 2.84Å; R173-R177 VanDerWaalsContact O-N 3.13Å |
| 174 | E | 88.4 | Confident | 88.2 | Confident | 12 Ų | 12 | 72.3 Ų | 72.3 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -81 | -27.2 | -172.7 | -142.9 | 55.9 | -144.5 | 0 | 0 | 113.1 | L129 A170 L171 R177 G178 V179 I180 | L129-E174 HydrophobicContact CD2-CB 4.26Å; A170-E174 PolarHBondContact O-N 3.37Å; L171-E174 PolarHBondContact O-N 2.96Å; E174-R177 PolarHBondContact O-N 2.81Å; E174-R177 WeakPolarHBondContact OE1-CD 3.46Å; E174-R177 IonicContact OE1-NH1 3.84Å; E174-R177 VanDerWaalsContact OE2-CD 3.24Å; E174-R177 WeakPolarHBondContact OE2-CD 3.43Å; E174-R177 IonicContact OE2-CZ 2.69Å; E174-R177 IonicContact OE2-NE 2.66Å; E174-R177 IonicContact OE2-NH1 3.75Å; E174-R177 PolarHBondContact OE2-NH1 3.18Å; E174-G178 PolarHBondContact O-N 3.41Å; E174-V179 HydrophobicContact CG-CB 3.97Å; E174-V179 HydrophobicContact CG-CG1 4.07Å; E174-V179 PolarHBondContact O-N 3.04Å; E174-V179 VanDerWaalsContact OE1-CB 3.29Å; E174-V179 WeakPolarHBondContact OE1-CB 3.42Å; E174-V179 WeakPolarHBondContact OE1-CG1 3.5Å; E174-V179 WeakPolarHBondContact OE1-CG2 3.18Å; E174-I180 HydrophobicContact CB-CD1 3.98Å; E174-I180 HydrophobicContact CB-CG1 3.99Å; E174-I180 HydrophobicContact CG-CG1 4.44Å; E174-I180 HydrophobicContact CG-CG2 4.25Å; E174-I180 PolarHBondContact O-N 2.94Å |
| 175 | L | 89.9 | Confident | 88.2 | Confident | 41 Ų | 41 | 74 Ų | 74 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.2 | -51.4 | 163 | -74.7 | 164.8 | 0 | 0 | 0 | 111 | L171 R177 G178 I180 Q182 F192 | L171-L175 WeakPolarHBondContact O-CB 3.5Å; L171-L175 WeakPolarHBondContact O-CD1 3.44Å; L171-L175 VanDerWaalsContact O-CG 3.27Å; L171-L175 WeakPolarHBondContact O-CG 3.25Å; L171-L175 PolarHBondContact O-N 3.11Å; L175-R177 PolarHBondContact O-N 3.11Å; L175-R177 VanDerWaalsContact O-N 3.12Å; L175-G178 PolarHBondContact O-N 3.05Å; L175-I180 HydrophobicContact CD2-CD1 4.45Å; L175-I180 HydrophobicContact CD2-CG1 4.05Å; L175-I180 HydrophobicContact CG-CD1 4.13Å; L175-I180 HydrophobicContact CG-CG1 4.03Å; L175-Q182 HydrophobicContact CD2-CB 4.07Å; L175-F192 HydrophobicContact CD1-CE1 3.85Å; L175-F192 HydrophobicContact CD2-CD1 4.01Å; L175-F192 HydrophobicContact CD2-CE1 3.9Å; L175-F192 HydrophobicContact CG-CE1 4.24Å |
| 176 | N | 87 | Confident | 87.8 | Confident | 135 Ų | 135 | 76.9 Ų | 76.9 | 72% | 0.722 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.4 | -20.1 | 178.9 | -73.5 | 13.1 | 0 | 0 | 0 | 113.4 | K172 R173 | K172-N176 WeakPolarHBondContact O-CB 3.32Å; K172-N176 PolarHBondContact O-N 2.89Å; K172-N176 VanDerWaalsContact O-N 3.15Å; K172-N176 PolarHBondContact O-OD1 2.94Å; R173-N176 PolarHBondContact O-N 3.32Å |
| 177 | R | 84.9 | Confident | 87.3 | Confident | 121 Ų | 121 | 76.8 Ų | 76.8 | 46% | 0.457 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -7.9 | 173.5 | -75.4 | 167.1 | 167.3 | 172.6 | -4 | 114.1 | D126 R173 E174 L175 V179 | D126-R177 IonicContact OD1-NH1 3.65Å; D126-R177 IonicContact OD2-CZ 3.08Å; D126-R177 IonicContact OD2-NH1 3.63Å; D126-R177 PolarHBondContact OD2-NH1 2.88Å; D126-R177 IonicContact OD2-NH2 3.28Å; R173-R177 WeakPolarHBondContact O-CG 3.18Å; R173-R177 PolarHBondContact O-N 2.84Å; R173-R177 VanDerWaalsContact O-N 3.13Å; E174-R177 PolarHBondContact O-N 2.81Å; E174-R177 WeakPolarHBondContact OE1-CD 3.46Å; E174-R177 IonicContact OE1-NH1 3.84Å; E174-R177 VanDerWaalsContact OE2-CD 3.24Å; E174-R177 WeakPolarHBondContact OE2-CD 3.43Å; E174-R177 IonicContact OE2-CZ 2.69Å; E174-R177 IonicContact OE2-NE 2.66Å; E174-R177 IonicContact OE2-NH1 3.75Å; E174-R177 PolarHBondContact OE2-NH1 3.18Å; L175-R177 PolarHBondContact O-N 3.11Å; L175-R177 VanDerWaalsContact O-N 3.12Å; R177-V179 HydrophobicContact CB-CG2 4.09Å; R177-V179 PolarHBondContact O-N 3.2Å |
| 178 | G | 84.4 | Confident | 86.6 | Confident | 41 Ų | 41 | 78.5 Ų | 78.5 | 42% | 0.423 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 21.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E174 L175 | E174-G178 PolarHBondContact O-N 3.41Å; L175-G178 PolarHBondContact O-N 3.05Å |
| 179 | V | 86.3 | Confident | 86.2 | Confident | 31 Ų | 31 | 76.7 Ų | 76.7 | 19% | 0.188 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -90.2 | -26.2 | 178.7 | 171 | 0 | 0 | 0 | 0 | 111 | E174 R177 V195 | E174-V179 HydrophobicContact CG-CB 3.97Å; E174-V179 HydrophobicContact CG-CG1 4.07Å; E174-V179 PolarHBondContact O-N 3.04Å; E174-V179 VanDerWaalsContact OE1-CB 3.29Å; E174-V179 WeakPolarHBondContact OE1-CB 3.42Å; E174-V179 WeakPolarHBondContact OE1-CG1 3.5Å; E174-V179 WeakPolarHBondContact OE1-CG2 3.18Å; R177-V179 HydrophobicContact CB-CG2 4.09Å; R177-V179 PolarHBondContact O-N 3.2Å; V179-V195 PolarHBondContact O-N 3.36Å |
| 180 | I | 88.3 | Confident | 86 | Confident | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 144.9 | 166.5 | 65.9 | 174.6 | 0 | 0 | 0 | 110 | I133 L171 E174 L175 F192 V193 V194 | I133-I180 HydrophobicContact CD1-CB 4.49Å; I133-I180 HydrophobicContact CD1-CD1 4.14Å; I133-I180 HydrophobicContact CD1-CG2 3.76Å; L171-I180 HydrophobicContact CD2-CD1 3.7Å; E174-I180 HydrophobicContact CB-CD1 3.98Å; E174-I180 HydrophobicContact CB-CG1 3.99Å; E174-I180 HydrophobicContact CG-CG1 4.44Å; E174-I180 HydrophobicContact CG-CG2 4.25Å; E174-I180 PolarHBondContact O-N 2.94Å; L175-I180 HydrophobicContact CD2-CD1 4.45Å; L175-I180 HydrophobicContact CD2-CG1 4.05Å; L175-I180 HydrophobicContact CG-CD1 4.13Å; L175-I180 HydrophobicContact CG-CG1 4.03Å; I180-F192 HydrophobicContact CD1-CB 4.44Å; I180-F192 HydrophobicContact CD1-CD1 4.17Å; I180-F192 HydrophobicContact CD1-CG 4.39Å; I180-V193 CarbonylContact C-O 3.58Å; I180-V193 VanDerWaalsContact CA-O 3.27Å; I180-V193 WeakPolarHBondContact CA-O 3.34Å; I180-V194 HydrophobicContact CG2-CG2 4.39Å |
| 181 | R | 89.4 | Confident | 86 | Confident | 164 Ų | 164 | 72.3 Ų | 72.3 | 62% | 0.619 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.2 | 173.3 | -172.5 | 174.3 | 73.1 | -160.1 | 3.5 | 109.5 | F192 V193 V195 | R181-F192 WeakPolarHBondContact O-CA 3.49Å; R181-V193 PolarHBondContact N-O 3.27Å; R181-V193 PolarHBondContact O-N 2.9Å; R181-V195 HydrophobicContact CB-CG2 3.72Å |
| 182 | Q | 90.4 | Very high | 86 | Confident | 49 Ų | 49 | 72.3 Ų | 72.3 | 23% | 0.229 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 124.8 | 168.8 | -171.2 | 156.6 | 25.2 | 0 | 0 | 109.1 | L175 K184 G185 G187 S189 F192 | L175-Q182 HydrophobicContact CD2-CB 4.07Å; Q182-K184 WeakPolarHBondContact CG-O 3.33Å; Q182-G185 VanDerWaalsContact NE2-C 3.32Å; Q182-G185 PolarHBondContact NE2-O 2.89Å; Q182-G187 PolarHBondContact NE2-O 3.39Å; Q182-G187 PolarHBondContact OE1-O 2.93Å; Q182-S189 PolarHBondContact NE2-O 3.2Å; Q182-F192 HydrophobicContact CB-CD1 4.06Å; Q182-F192 HydrophobicContact CB-CE1 3.77Å; Q182-F192 HydrophobicContact CG-CD1 4.34Å; Q182-F192 HydrophobicContact CG-CE1 3.76Å; Q182-F192 HydrophobicContact CG-CZ 4.35Å |
| 183 | V | 87.9 | Confident | 86 | Confident | 73 Ų | 73 | 67.2 Ų | 67.2 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -30.3 | 178.7 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | S191 V193 | V183-S191 PolarHBondContact N-O 2.98Å; V183-V193 HydrophobicContact CG2-CB 4.18Å; V183-V193 HydrophobicContact CG2-CG2 3.56Å |
| 184 | K | 84.3 | Confident | 86.1 | Confident | 156 Ų | 156 | 63.6 Ų | 63.6 | 68% | 0.678 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 147.1 | 176.9 | -169.3 | 169.2 | -177.4 | 173.7 | 0 | 110 | Q182 G190 S191 | Q182-K184 WeakPolarHBondContact CG-O 3.33Å; K184-G190 WeakPolarHBondContact O-CA 3.43Å; K184-S191 PolarHBondContact O-N 3.06Å; K184-S191 VanDerWaalsContact O-N 3.14Å |
| 185 | G | 84.2 | Confident | 85.9 | Confident | 49 Ų | 49 | 65.7 Ų | 65.7 | 51% | 0.505 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 88.8 | -178 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q182 S189 | Q182-G185 VanDerWaalsContact NE2-C 3.32Å; Q182-G185 PolarHBondContact NE2-O 2.89Å; G185-S189 WeakPolarHBondContact CA-O 3.42Å |
| 186 | K | 79.1 | Confident | 84.9 | Confident | 196 Ų | 196 | 71.7 Ų | 71.7 | 85% | 0.852 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -128.8 | 140.7 | 176.5 | -75.6 | -177.1 | 176.6 | 177.6 | 0 | 110.2 | S189 | K186-S189 PolarHBondContact N-O 2.96Š|
| 187 | G | 78.7 | Confident | 83.4 | Confident | 46 Ų | 46 | 72.8 Ų | 72.8 | 47% | 0.474 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | -144 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q182 S189 | Q182-G187 PolarHBondContact NE2-O 3.39Å; Q182-G187 PolarHBondContact OE1-O 2.93Å; G187-S189 PolarHBondContact O-N 3Å; G187-S189 VanDerWaalsContact O-N 3.09Å |
| 188 | A | 75.4 | Confident | 81.3 | Confident | 37 Ų | 37 | 71.9 Ų | 71.9 | 31% | 0.306 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | V144 K168 | V144-A188 VanDerWaalsContact CG2-O 3.27Å; V144-A188 WeakPolarHBondContact CG2-O 3.27Å; K168-A188 HydrophobicContact CB-CB 4.26Å; K168-A188 HydrophobicContact CG-CB 4.22Å |
| 189 | S | 80.5 | Confident | 79.2 | Confident | 87 Ų | 87 | 79.1 Ų | 79.1 | 61% | 0.608 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -113 | 121.5 | 175.8 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | Q182 G185 K186 G187 | Q182-S189 PolarHBondContact NE2-O 3.2Å; G185-S189 WeakPolarHBondContact CA-O 3.42Å; K186-S189 PolarHBondContact N-O 2.96Å; G187-S189 PolarHBondContact O-N 3Å; G187-S189 VanDerWaalsContact O-N 3.09Å |
| 190 | G | 86.6 | Confident | 77 | Confident | 16 Ų | 16 | 83.2 Ų | 83.2 | 17% | 0.165 | 45% | 0.452 | C | S | . | . | S | Bend | trans | 159.9 | -167.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S143 V144 K184 | S143-G190 WeakPolarHBondContact CA-O 3.42Å; V144-G190 PolarHBondContact N-O 2.57Å; K184-G190 WeakPolarHBondContact O-CA 3.43Å |
| 191 | S | 89.1 | Confident | 74.6 | Confident | 15 Ų | 15 | 88.9 Ų | 88.9 | 11% | 0.105 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 136.2 | 167.7 | -61.5 | 0 | 0 | 0 | 0 | 110.3 | T140 A142 V183 K184 | T140-S191 VanDerWaalsContact O-CB 3.26Å; T140-S191 WeakPolarHBondContact O-CB 3.23Å; A142-S191 CarbonylContact O-C 3.34Å; A142-S191 WeakPolarHBondContact O-CA 3.42Å; V183-S191 PolarHBondContact N-O 2.98Å; K184-S191 PolarHBondContact O-N 3.06Å; K184-S191 VanDerWaalsContact O-N 3.14Å |
| 192 | F | 91.4 | Very high | 72.4 | Confident | 0 Ų | 0 | 90.1 Ų | 90.1 | 0% | 0 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 146.3 | -173 | -59.5 | -78.3 | 0 | 0 | 0 | 111.8 | I133 A142 V144 I147 L171 L175 I180 R181 Q182 | I133-F192 HydrophobicContact CD1-CB 4.25Å; A142-F192 PolarHBondContact N-O 3.12Å; A142-F192 PolarHBondContact O-N 3.03Å; V144-F192 HydrophobicContact CG2-CD2 4.47Å; V144-F192 HydrophobicContact CG2-CE2 3.71Å; I147-F192 HydrophobicContact CD1-CD2 4.29Å; L171-F192 HydrophobicContact CD1-CE2 4.29Å; L171-F192 HydrophobicContact CD2-CD1 4.48Å; L171-F192 HydrophobicContact CD2-CD2 3.83Å; L171-F192 HydrophobicContact CD2-CE2 4.02Å; L171-F192 HydrophobicContact CD2-CG 4.08Å; L171-F192 HydrophobicContact CD2-CZ 4.43Å; L175-F192 HydrophobicContact CD1-CE1 3.85Å; L175-F192 HydrophobicContact CD2-CD1 4.01Å; L175-F192 HydrophobicContact CD2-CE1 3.9Å; L175-F192 HydrophobicContact CG-CE1 4.24Å; I180-F192 HydrophobicContact CD1-CB 4.44Å; I180-F192 HydrophobicContact CD1-CD1 4.17Å; I180-F192 HydrophobicContact CD1-CG 4.39Å; R181-F192 WeakPolarHBondContact O-CA 3.49Å; Q182-F192 HydrophobicContact CB-CD1 4.06Å; Q182-F192 HydrophobicContact CB-CE1 3.77Å; Q182-F192 HydrophobicContact CG-CD1 4.34Å; Q182-F192 HydrophobicContact CG-CE1 3.76Å; Q182-F192 HydrophobicContact CG-CZ 4.35Å |
| 193 | V | 90.6 | Very high | 69.9 | Low | 34 Ų | 34 | 97.9 Ų | 97.9 | 21% | 0.206 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 134.9 | 178.3 | 176.3 | 0 | 0 | 0 | 0 | 108.9 | F137 I180 R181 V183 V195 | F137-V193 HydrophobicContact CE2-CB 4.47Å; F137-V193 HydrophobicContact CE2-CG1 3.99Å; F137-V193 HydrophobicContact CE2-CG2 3.85Å; I180-V193 CarbonylContact C-O 3.58Å; I180-V193 VanDerWaalsContact CA-O 3.27Å; I180-V193 WeakPolarHBondContact CA-O 3.34Å; R181-V193 PolarHBondContact N-O 3.27Å; R181-V193 PolarHBondContact O-N 2.9Å; V183-V193 HydrophobicContact CG2-CB 4.18Å; V183-V193 HydrophobicContact CG2-CG2 3.56Å; V193-V195 PolarHBondContact O-N 2.72Å |
| 194 | V | 90.4 | Very high | 67.7 | Low | 28 Ų | 28 | 100 Ų | 100 | 17% | 0.17 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.3 | 122.4 | 171.8 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | T130 I133 K134 I180 Q196 | T130-V194 HydrophobicContact CG2-CG1 4.27Å; T130-V194 HydrophobicContact CG2-CG2 4.04Å; I133-V194 HydrophobicContact CB-CG2 4.04Å; I133-V194 HydrophobicContact CG2-CG2 3.68Å; K134-V194 HydrophobicContact CG-CG2 4.27Å; I180-V194 HydrophobicContact CG2-CG2 4.39Å; V194-Q196 PolarHBondContact O-N 3.06Å |
| 195 | V | 85.3 | Confident | 65.7 | Low | 56 Ų | 56 | 102.2 Ų | 102.2 | 34% | 0.339 | 56% | 0.563 | S | S | . | * | trans | -72.8 | 101.1 | 171.5 | -178.3 | 0 | 0 | 0 | 0 | 107.2 | V179 R181 V193 K197 | V179-V195 PolarHBondContact O-N 3.36Å; R181-V195 HydrophobicContact CB-CG2 3.72Å; V193-V195 PolarHBondContact O-N 2.72Å; V195-K197 PolarHBondContact O-N 3.47Å; V195-K197 VanDerWaalsContact O-N 3.12Å | ||
| 196 | Q | 69.6 | Low | 63.6 | Low | 168 Ų | 168 | 106.2 Ų | 106.2 | 79% | 0.785 | 57% | 0.573 | S | S | * | * | trans | -60.3 | 116 | 167.8 | -69.2 | -175 | -7.8 | 0 | 0 | 108.1 | V194 S198 | V194-Q196 PolarHBondContact O-N 3.06Å; Q196-S198 PolarHBondContact O-N 2.73Å | ||
| 197 | K | 53.9 | Low | 61.8 | Low | 158 Ų | 158 | 108.5 Ų | 108.5 | 69% | 0.687 | 58% | 0.576 | S | S | * | * | trans | -79.2 | 67.1 | 174.6 | -67.5 | -174.5 | 178.3 | -178.7 | 0 | 109.9 | V195 | V195-K197 PolarHBondContact O-N 3.47Å; V195-K197 VanDerWaalsContact O-N 3.12Å | ||
| 198 | S | 41 | Very low | 60 | Low | 101 Ų | 101 | 115.2 Ų | 115.2 | 71% | 0.706 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 144.7 | 157 | 46.6 | 0 | 0 | 0 | 0 | 108.9 | Q196 | Q196-S198 PolarHBondContact O-N 2.73Š|
| 199 | K | 42 | Very low | 58.1 | Low | 194 Ų | 194 | 123.8 Ų | 123.8 | 84% | 0.843 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 139.5 | 178.3 | -64.2 | 175.1 | -179.1 | 175.3 | 0 | 108.9 | ||
| 200 | P | 39.4 | Very low | 55.7 | Low | 116 Ų | 116 | 123.2 Ų | 123.2 | 75% | 0.753 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -62 | 130.8 | 175.5 | 26.4 | -33.6 | 0 | 0 | 0 | 109.5 | Q202 | P200-Q202 PolarHBondContact O-N 2.83Š|
| 201 | P | 38.4 | Very low | 53.3 | Low | 124 Ų | 124 | 128 Ų | 128 | 81% | 0.805 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 122.7 | 179 | 27.9 | -33.4 | 0 | 0 | 0 | 109.5 | K203 | P201-K203 PolarHBondContact O-N 3.32Š|
| 202 | Q | 42.3 | Very low | 50.9 | Low | 190 Ų | 190 | 131.9 Ų | 131.9 | 89% | 0.888 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 119.7 | 173.1 | -70.5 | -148.3 | -22.9 | 0 | 0 | 109.9 | P200 S204 | P200-Q202 PolarHBondContact O-N 2.83Å; Q202-S204 PolarHBondContact O-N 3.19Å |
| 203 | K | 37.9 | Very low | 48.5 | Very low | 211 Ų | 211 | 139.8 Ų | 139.8 | 92% | 0.917 | 74% | 0.736 | S | S | * | * | trans | -68 | 110.1 | 165.4 | -81 | -170 | 172.6 | -174.1 | 0 | 108.7 | P201 K205 | P201-K203 PolarHBondContact O-N 3.32Å; K203-K205 PolarHBondContact O-N 3.4Å | ||
| 204 | S | 42 | Very low | 45.6 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -63 | 114.2 | 173.2 | 50 | 0 | 0 | 0 | 0 | 111 | Q202 | Q202-S204 PolarHBondContact O-N 3.19Š| ||
| 205 | K | 43 | Very low | 43.4 | Very low | 203 Ų | 203 | 148.8 Ų | 148.8 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -99.8 | 104.9 | 159.4 | -168 | 167.2 | -174.6 | 174.4 | 0 | 108.8 | K203 R207 | K203-K205 PolarHBondContact O-N 3.4Å; K205-R207 PolarHBondContact O-N 2.79Å | ||
| 206 | N | 38.7 | Very low | 41.4 | Very low | 133 Ų | 133 | 153.2 Ų | 153.2 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -59.7 | 129.1 | -176.2 | -174.3 | -4.8 | 0 | 0 | 0 | 111.7 | ||||
| 207 | R | 41.4 | Very low | 40.4 | Very low | 244 Ų | 244 | 150.4 Ų | 150.4 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -150.6 | 103.5 | 163.3 | -148.6 | 175.2 | -170.1 | -171.1 | 0.9 | 110.5 | K205 | K205-R207 PolarHBondContact O-N 2.79Š| ||
| 208 | K | 42.2 | Very low | 40.3 | Very low | 187 Ų | 187 | 151.4 Ų | 151.4 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -67.2 | 125.8 | 177.9 | -63.3 | -179.6 | 177.2 | -177.2 | 0 | 111.9 | ||||
| 209 | K | 35.2 | Very low | 41.7 | Very low | 216 Ų | 216 | 150.4 Ų | 150.4 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | trans | 173.1 | 144.3 | 131.3 | -100.7 | -175 | 176.7 | -171.8 | 0 | 110.6 | ||||
| 210 | G | 30.1 | Very low | 43.7 | Very low | 75 Ų | 75 | 147.3 Ų | 147.3 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 109.8 | 110.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 211 | S | 34.8 | Very low | 45.9 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -61.3 | 135.9 | 155.6 | 27.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 212 | A | 38.9 | Very low | 48.1 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 79% | 0.793 | 72% | 0.723 | S | S | * | * | 70.2 | 48.6 | 62.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 213 | L | 41.4 | Very low | 50.3 | Low | 167 Ų | 167 | 133 Ų | 133 | 87% | 0.874 | 70% | 0.698 | S | S | * | * | trans | -113.1 | 138.5 | 132.8 | -73.4 | 174.4 | 0 | 0 | 0 | 107 | P215 | L213-P215 WeakPolarHBondContact O-CD 3.45Š| ||
| 214 | D | 30.6 | Very low | 52.7 | Low | 151 Ų | 151 | 123.5 Ų | 123.5 | 81% | 0.807 | 66% | 0.658 | S | S | * | * | trans | -71.9 | 123.3 | 177.6 | -170.1 | 34.7 | 0 | 0 | 0 | 109.2 | E216 | D214-E216 PolarHBondContact O-N 3.09Š| ||
| 215 | P | 44.2 | Very low | 55 | Low | 99 Ų | 99 | 118 Ų | 118 | 64% | 0.643 | 62% | 0.619 | S | S | * | * | trans | -72.4 | 102.4 | 176.1 | 28.9 | -33.1 | 0 | 0 | 0 | 109.2 | L213 | L213-P215 WeakPolarHBondContact O-CD 3.45Š| ||
| 216 | E | 42.4 | Very low | 57.3 | Low | 150 Ų | 150 | 108.3 Ų | 108.3 | 70% | 0.701 | 58% | 0.577 | S | S | * | * | trans | -36.5 | 126.1 | 167.3 | -175.3 | -163 | -174.4 | 0 | 0 | 109.1 | D214 Q218 | D214-E216 PolarHBondContact O-N 3.09Å; E216-Q218 PolarHBondContact O-N 2.69Å | ||
| 217 | P | 47.8 | Very low | 59.8 | Low | 108 Ų | 108 | 103.5 Ų | 103.5 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | trans | -65.9 | 92.4 | -164 | 25 | -35.7 | 0 | 0 | 0 | 111.1 | V219 | P217-V219 WeakPolarHBondContact O-CA 3.41Å; P217-V219 WeakPolarHBondContact O-CG2 3.31Å; P217-V219 PolarHBondContact O-N 2.99Å | ||
| 218 | Q | 53.3 | Low | 62.2 | Low | 179 Ų | 179 | 91.9 Ų | 91.9 | 84% | 0.836 | 51% | 0.508 | S | S | * | . | trans | -38.5 | 96.2 | -165 | -70 | -174.5 | -6.8 | 0 | 0 | 112.5 | E216 K220 | E216-Q218 PolarHBondContact O-N 2.69Å; Q218-K220 PolarHBondContact O-N 2.66Å | ||
| 219 | V | 69.1 | Low | 64.6 | Low | 80 Ų | 80 | 83 Ų | 83 | 49% | 0.485 | 47% | 0.469 | S | S | . | . | trans | -68.3 | 115.1 | -170.7 | -168.4 | 0 | 0 | 0 | 0 | 107.5 | P217 L221 V224 | P217-V219 WeakPolarHBondContact O-CA 3.41Å; P217-V219 WeakPolarHBondContact O-CG2 3.31Å; P217-V219 PolarHBondContact O-N 2.99Å; V219-L221 PolarHBondContact O-N 3.2Å; V219-V224 HydrophobicContact CB-CG2 4.25Å; V219-V224 HydrophobicContact CG1-CG2 3.64Å | ||
| 220 | K | 83.6 | Confident | 67.3 | Low | 130 Ų | 130 | 72.8 Ų | 72.8 | 57% | 0.565 | 43% | 0.425 | S | S | * | . | trans | -62.3 | 134 | -179.8 | -64.1 | 169.4 | -168.9 | 150.4 | 0 | 107.7 | Q218 E222 D223 V224 | Q218-K220 PolarHBondContact O-N 2.66Å; K220-E222 HydrophobicContact CB-CB 4.24Å; K220-E222 PolarHBondContact O-N 2.91Å; K220-D223 PolarHBondContact O-N 2.86Å; K220-V224 PolarHBondContact O-N 3.08Å | ||
| 221 | L | 85.9 | Confident | 70.1 | Confident | 16 Ų | 16 | 73 Ų | 73 | 8% | 0.084 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -53.3 | -29.2 | 175 | -172.1 | 58.2 | 0 | 0 | 0 | 112.2 | V219 D223 V224 L225 V330 L345 L346 T349 | V219-L221 PolarHBondContact O-N 3.2Å; L221-D223 VanDerWaalsContact C-N 3.3Å; L221-D223 PolarHBondContact O-N 3.33Å; L221-V224 HydrophobicContact CD1-CB 4.43Å; L221-V224 PolarHBondContact O-N 2.81Å; L221-L225 WeakPolarHBondContact O-CG 3.2Å; L221-L225 PolarHBondContact O-N 3.09Å; L221-L225 VanDerWaalsContact O-N 3.09Å; L221-V330 HydrophobicContact CD1-CG1 4.32Å; L221-V330 HydrophobicContact CD1-CG2 3.74Å; L221-L345 HydrophobicContact CD2-CD2 4.39Å; L221-L345 HydrophobicContact CD2-CG 4.05Å; L221-L346 HydrophobicContact CD2-CB 3.88Å; L221-L346 HydrophobicContact CD2-CD1 4.03Å; L221-L346 HydrophobicContact CG-CD1 4.49Å; L221-T349 HydrophobicContact CB-CG2 4.44Å; L221-T349 HydrophobicContact CG-CG2 4.28Å |
| 222 | E | 85.4 | Confident | 72.7 | Confident | 44 Ų | 44 | 69.3 Ų | 69.3 | 21% | 0.206 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57 | -34.2 | 171.2 | -69.2 | 165.2 | -162.5 | 0 | 0 | 114.4 | W100 K220 T349 K352 | W100-E222 VanDerWaalsContact CZ2-O 3.28Å; W100-E222 WeakPolarHBondContact CZ2-O 3.39Å; W100-E222 PolarHBondContact NE1-O 3.24Å; K220-E222 HydrophobicContact CB-CB 4.24Å; K220-E222 PolarHBondContact O-N 2.91Å; E222-T349 HydrophobicContact CB-CG2 4.39Å; E222-T349 HydrophobicContact CG-CG2 3.63Å; E222-K352 WeakPolarHBondContact OE1-CD 3.28Å; E222-K352 WeakPolarHBondContact OE1-CE 3.28Å; E222-K352 IonicContact OE1-NZ 2.68Å; E222-K352 PolarHBondContact OE1-NZ 3.34Å; E222-K352 IonicContact OE2-NZ 3.24Å; E222-K352 PolarHBondContact OE2-NZ 2.98Å |
| 223 | D | 87.8 | Confident | 75.1 | Confident | 69 Ų | 69 | 64.9 Ų | 64.9 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -94.4 | -21 | 179.8 | -62.8 | -53.8 | 0 | 0 | 0 | 111.9 | P98 K220 L221 | P98-D223 WeakPolarHBondContact CB-OD1 3.31Å; K220-D223 PolarHBondContact O-N 2.86Å; L221-D223 VanDerWaalsContact C-N 3.3Å; L221-D223 PolarHBondContact O-N 3.33Å |
| 224 | V | 88.4 | Confident | 77.2 | Confident | 12 Ų | 12 | 62 Ų | 62 | 7% | 0.073 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72.1 | -39.4 | 172.2 | 176.5 | 0 | 0 | 0 | 0 | 112.3 | V219 K220 L221 P226 L227 A228 Y329 H334 | V219-V224 HydrophobicContact CB-CG2 4.25Å; V219-V224 HydrophobicContact CG1-CG2 3.64Å; K220-V224 PolarHBondContact O-N 3.08Å; L221-V224 HydrophobicContact CD1-CB 4.43Å; L221-V224 PolarHBondContact O-N 2.81Å; V224-P226 VanDerWaalsContact C-CD 3.43Å; V224-P226 VanDerWaalsContact O-N 3.16Å; V224-L227 WeakPolarHBondContact O-CB 3.22Å; V224-L227 PolarHBondContact O-N 3.19Å; V224-A228 PolarHBondContact O-N 3.11Å; V224-A228 VanDerWaalsContact O-N 3.13Å; V224-Y329 HydrophobicContact CG1-CE1 4.1Å; V224-H334 VanDerWaalsContact CG1-NE2 3.33Å; V224-H334 WeakPolarHBondContact CG1-NE2 3.38Å |
| 225 | L | 91 | Very high | 79.9 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -45.8 | -50.3 | -170.3 | -83.2 | -176.9 | 0 | 0 | 0 | 114.4 | L221 L227 A228 F229 L326 L346 T349 L350 L359 | L221-L225 WeakPolarHBondContact O-CG 3.2Å; L221-L225 PolarHBondContact O-N 3.09Å; L221-L225 VanDerWaalsContact O-N 3.09Å; L225-L227 VanDerWaalsContact C-N 3.25Å; L225-L227 PolarHBondContact O-N 3.4Å; L225-A228 CarbonylContact O-C 3.52Å; L225-A228 WeakPolarHBondContact O-CA 3.31Å; L225-A228 WeakPolarHBondContact O-CB 3.08Å; L225-A228 PolarHBondContact O-N 3.13Å; L225-F229 HydrophobicContact CB-CD2 4.38Å; L225-F229 HydrophobicContact CB-CE2 4.41Å; L225-F229 HydrophobicContact CD2-CE2 4.18Å; L225-F229 VanDerWaalsContact O-CD2 3.25Å; L225-F229 WeakPolarHBondContact O-CD2 3.46Å; L225-F229 PolarHBondContact O-N 2.85Å; L225-L326 HydrophobicContact CD2-CD2 4.2Å; L225-L346 HydrophobicContact CD2-CD1 4.09Å; L225-T349 HydrophobicContact CD1-CG2 3.77Å; L225-T349 HydrophobicContact CG-CG2 4.38Å; L225-L350 HydrophobicContact CD1-CD2 3.77Å; L225-L350 HydrophobicContact CD2-CD2 4.07Å; L225-L359 HydrophobicContact CD1-CD1 4.5Å; L225-L359 HydrophobicContact CD1-CD2 4.17Å |
| 226 | P | 91.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.8 | -34.4 | -176.1 | -20.9 | 32.6 | 0 | 0 | 0 | 113.4 | W100 V224 T230 L373 Y377 | W100-P226 HydrophobicContact CB-CG 4.06Å; W100-P226 HydrophobicContact CD2-CB 4.31Å; W100-P226 HydrophobicContact CD2-CG 3.17Å; W100-P226 HydrophobicContact CE3-CB 4.41Å; W100-P226 HydrophobicContact CE3-CG 3.56Å; W100-P226 HydrophobicContact CG-CB 4.39Å; W100-P226 HydrophobicContact CG-CG 3.41Å; W100-P226 VanDerWaalsContact CG-CG 3.41Å; W100-P226 HydrophobicContact CH2-CG 4.24Å; W100-P226 HydrophobicContact CZ2-CG 3.91Å; W100-P226 HydrophobicContact CZ3-CG 4.08Å; V224-P226 VanDerWaalsContact C-CD 3.43Å; V224-P226 VanDerWaalsContact O-N 3.16Å; P226-T230 WeakPolarHBondContact O-CB 3.47Å; P226-T230 PolarHBondContact O-N 3.38Å; P226-T230 PolarHBondContact O-OG1 3.02Å; P226-L373 HydrophobicContact CB-CD1 4.18Å; P226-Y377 HydrophobicContact CB-CD1 3.53Å; P226-Y377 HydrophobicContact CB-CD2 3.85Å; P226-Y377 HydrophobicContact CB-CE1 3.66Å; P226-Y377 HydrophobicContact CB-CE2 3.96Å; P226-Y377 HydrophobicContact CB-CG 3.63Å |
| 227 | L | 91.4 | Very high | 84.4 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.6 | -43.5 | 173.9 | -175 | 58.1 | 0 | 0 | 0 | 110.3 | V224 L225 F229 T230 R231 V383 L384 | V224-L227 WeakPolarHBondContact O-CB 3.22Å; V224-L227 PolarHBondContact O-N 3.19Å; L225-L227 VanDerWaalsContact C-N 3.25Å; L225-L227 PolarHBondContact O-N 3.4Å; L227-F229 PolarHBondContact O-N 2.83Å; L227-T230 CarbonylContact O-C 3.53Å; L227-T230 WeakPolarHBondContact O-CA 3.23Å; L227-T230 WeakPolarHBondContact O-CB 3.31Å; L227-T230 PolarHBondContact O-N 3.37Å; L227-R231 WeakPolarHBondContact O-CG 3.44Å; L227-R231 PolarHBondContact O-N 3.37Å; L227-V383 HydrophobicContact CD1-CG1 4.32Å; L227-V383 HydrophobicContact CD2-CG1 4.27Å; L227-L384 HydrophobicContact CD1-CD1 4.21Å |
| 228 | A | 91.2 | Very high | 86.6 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.2 | -48.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V224 L225 T230 R231 L232 L326 Y329 | V224-A228 PolarHBondContact O-N 3.11Å; V224-A228 VanDerWaalsContact O-N 3.13Å; L225-A228 CarbonylContact O-C 3.52Å; L225-A228 WeakPolarHBondContact O-CA 3.31Å; L225-A228 WeakPolarHBondContact O-CB 3.08Å; L225-A228 PolarHBondContact O-N 3.13Å; A228-T230 VanDerWaalsContact C-N 3.29Å; A228-T230 PolarHBondContact O-N 3.26Å; A228-R231 PolarHBondContact O-N 3.34Å; A228-R231 VanDerWaalsContact O-N 3.15Å; A228-L232 HydrophobicContact CB-CD1 4.31Å; A228-L232 VanDerWaalsContact O-CB 3.31Å; A228-L232 WeakPolarHBondContact O-CB 3.33Å; A228-L232 WeakPolarHBondContact O-CD1 3.46Å; A228-L232 WeakPolarHBondContact O-CG 3.11Å; A228-L232 PolarHBondContact O-N 3.4Å; A228-L326 HydrophobicContact CB-CD2 4.09Å; A228-Y329 HydrophobicContact CB-CD1 3.55Å; A228-Y329 HydrophobicContact CB-CE1 3.45Å; A228-Y329 VanDerWaalsContact CB-CE1 3.45Å; A228-Y329 HydrophobicContact CB-CG 4.25Å |
| 229 | F | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.8 | -39.9 | 172.6 | -82.9 | -87 | 0 | 0 | 0 | 112 | L225 L227 R231 C233 K319 C321 L326 L359 F371 L373 | L225-F229 HydrophobicContact CB-CD2 4.38Å; L225-F229 HydrophobicContact CB-CE2 4.41Å; L225-F229 HydrophobicContact CD2-CE2 4.18Å; L225-F229 VanDerWaalsContact O-CD2 3.25Å; L225-F229 WeakPolarHBondContact O-CD2 3.46Å; L225-F229 PolarHBondContact O-N 2.85Å; L227-F229 PolarHBondContact O-N 2.83Å; F229-R231 PolarHBondContact O-N 2.99Å; F229-C233 WeakPolarHBondContact O-CB 3.31Å; F229-C233 PolarHBondContact O-N 3.28Å; F229-K319 HydrophobicContact CB-CB 4.45Å; F229-C321 HydrophobicContact CD1-CB 3.37Å; F229-C321 HydrophobicContact CE1-CB 3.45Å; F229-C321 VanDerWaalsContact CE1-CB 3.45Å; F229-C321 HydrophobicContact CG-CB 4.23Å; F229-C321 HydrophobicContact CZ-CB 4.35Å; F229-L326 HydrophobicContact CD2-CD2 4.4Å; F229-L326 HydrophobicContact CE1-CD1 4.49Å; F229-L326 HydrophobicContact CE2-CD1 4.16Å; F229-L326 HydrophobicContact CE2-CD2 4.19Å; F229-L326 HydrophobicContact CZ-CD1 3.84Å; F229-L359 HydrophobicContact CE2-CD1 4.42Å; F229-L359 HydrophobicContact CE2-CD2 3.76Å; F229-L359 HydrophobicContact CE2-CG 4.24Å; F229-L359 HydrophobicContact CZ-CD2 3.74Å; F229-L359 HydrophobicContact CZ-CG 4.21Å; F229-F371 HydrophobicContact CE1-CB 3.99Å; F229-F371 WeakPolarHBondContact CE1-O 3.37Å; F229-F371 HydrophobicContact CZ-CB 3.73Å; F229-L373 HydrophobicContact CB-CD1 3.9Å; F229-L373 HydrophobicContact CB-CD2 4.21Å; F229-L373 HydrophobicContact CB-CG 3.92Å; F229-L373 HydrophobicContact CD1-CD2 4.43Å; F229-L373 HydrophobicContact CD1-CG 4.27Å; F229-L373 HydrophobicContact CD2-CD2 3.54Å; F229-L373 HydrophobicContact CD2-CG 4.12Å; F229-L373 HydrophobicContact CE2-CD2 3.99Å; F229-L373 HydrophobicContact CG-CD1 4.37Å; F229-L373 HydrophobicContact CG-CD2 3.82Å; F229-L373 HydrophobicContact CG-CG 3.85Å |
| 230 | T | 91.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.6 | -34.2 | 177.1 | -53.3 | 0 | 0 | 0 | 0 | 112.6 | P226 L227 A228 A313 K319 Y377 P379 L384 | P226-T230 WeakPolarHBondContact O-CB 3.47Å; P226-T230 PolarHBondContact O-N 3.38Å; P226-T230 PolarHBondContact O-OG1 3.02Å; L227-T230 CarbonylContact O-C 3.53Å; L227-T230 WeakPolarHBondContact O-CA 3.23Å; L227-T230 WeakPolarHBondContact O-CB 3.31Å; L227-T230 PolarHBondContact O-N 3.37Å; A228-T230 VanDerWaalsContact C-N 3.29Å; A228-T230 PolarHBondContact O-N 3.26Å; T230-A313 WeakPolarHBondContact CG2-O 3.22Å; T230-K319 WeakPolarHBondContact OG1-CD 3.27Å; T230-K319 VanDerWaalsContact OG1-CE 3.23Å; T230-K319 WeakPolarHBondContact OG1-CE 3.22Å; T230-Y377 WeakPolarHBondContact OG1-CD1 3.34Å; T230-P379 HydrophobicContact CG2-CG 3.91Å; T230-L384 HydrophobicContact CG2-CD1 3.79Å |
| 231 | R | 89.1 | Confident | 90 | Very high | 79 Ų | 79 | 34 Ų | 34 | 30% | 0.298 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -71.5 | -43.4 | 175.4 | -69.4 | -63.6 | -158.7 | -179.4 | 3.6 | 112.7 | L227 A228 F229 K236 Y329 L384 F385 | L227-R231 WeakPolarHBondContact O-CG 3.44Å; L227-R231 PolarHBondContact O-N 3.37Å; A228-R231 PolarHBondContact O-N 3.34Å; A228-R231 VanDerWaalsContact O-N 3.15Å; F229-R231 PolarHBondContact O-N 2.99Å; R231-K236 WeakPolarHBondContact O-CE 3.14Å; R231-K236 PolarHBondContact O-NZ 3.29Å; R231-Y329 HydrophobicContact CB-CE2 4.19Å; R231-Y329 HydrophobicContact CG-CE2 4.09Å; R231-L384 PolarHBondContact NH1-O 2.8Å; R231-L384 PolarHBondContact NH2-O 3.46Å; R231-F385 VanDerWaalsContact NH1-CE1 3.25Å |
| 232 | L | 89.3 | Confident | 90.3 | Very high | 40 Ų | 40 | 34.8 Ų | 34.8 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -100.6 | -10.8 | -165.4 | -58.5 | 166.3 | 0 | 0 | 0 | 114.5 | A228 E234 C321 A325 L326 Y329 | A228-L232 HydrophobicContact CB-CD1 4.31Å; A228-L232 VanDerWaalsContact O-CB 3.31Å; A228-L232 WeakPolarHBondContact O-CB 3.33Å; A228-L232 WeakPolarHBondContact O-CD1 3.46Å; A228-L232 WeakPolarHBondContact O-CG 3.11Å; A228-L232 PolarHBondContact O-N 3.4Å; L232-E234 PolarHBondContact O-N 2.76Å; L232-C321 WeakPolarHBondContact CB-SG 3.48Å; L232-A325 HydrophobicContact CB-CB 4.47Å; L232-A325 HydrophobicContact CD1-CB 4.32Å; L232-A325 HydrophobicContact CD2-CB 4.42Å; L232-L326 HydrophobicContact CD1-CD2 4Å; L232-Y329 HydrophobicContact CD1-CD2 4.18Å; L232-Y329 HydrophobicContact CD1-CG 3.88Å; L232-Y329 HydrophobicContact CD2-CD2 4.08Å; L232-Y329 HydrophobicContact CD2-CG 4.45Å; L232-Y329 HydrophobicContact CG-CD2 4.2Å; L232-Y329 HydrophobicContact CG-CG 4.41Å |
| 233 | C | 89.7 | Confident | 90.7 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | trans | -64.9 | 130.9 | 177.2 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | F229 K236 N316 P318 T320 | F229-C233 WeakPolarHBondContact O-CB 3.31Å; F229-C233 PolarHBondContact O-N 3.28Å; C233-K236 WeakPolarHBondContact O-CE 3.24Å; C233-K236 WeakPolarHBondContact O-CG 3.37Å; C233-N316 PolarHBondContact SG-ND2 2.92Å; C233-P318 PolarHBondContact SG-O 3.09Å; C233-P318 VanDerWaalsContact SG-O 3.4Å; C233-T320 VanDerWaalsContact CA-O 3.28Å; C233-T320 WeakPolarHBondContact CA-O 3.3Å; C233-T320 VanDerWaalsContact CB-O 3.27Å; C233-T320 WeakPolarHBondContact CB-O 3.28Å; C233-T320 PolarHBondContact SG-N 3.23Å; C233-T320 VanDerWaalsContact SG-N 3.42Å; C233-T320 PolarHBondContact SG-O 2.99Å; C233-T320 VanDerWaalsContact SG-O 3.37Å | ||
| 234 | E | 86.3 | Confident | 90.9 | Very high | 107 Ų | 107 | 33 Ų | 33 | 50% | 0.5 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -137.8 | 134.8 | 179.2 | -63.1 | -176 | -177.1 | 0 | 0 | 107.9 | L232 K292 | L232-E234 PolarHBondContact O-N 2.76Å; E234-K292 WeakPolarHBondContact OE1-CE 3.13Å; E234-K292 IonicContact OE1-NZ 3.64Å; E234-K292 PolarHBondContact OE1-NZ 3.24Å; E234-K292 IonicContact OE2-NZ 2.99Å; E234-K292 PolarHBondContact OE2-NZ 3.46Å |
| 235 | P | 87.1 | Confident | 91.1 | Very high | 71 Ų | 71 | 37.7 Ų | 37.7 | 46% | 0.461 | 19% | 0.188 | S | C | . | . | S | Bend | cis | -66.6 | 171.9 | -0.8 | 31.4 | -37.5 | 0 | 0 | 0 | 113.2 | E237 Q289 N316 | P235-E237 HydrophobicContact CB-CG 4.21Å; P235-E237 VanDerWaalsContact CB-OE1 3.24Å; P235-E237 WeakPolarHBondContact CB-OE1 3.12Å; P235-E237 HydrophobicContact CG-CG 4.39Å; P235-E237 WeakPolarHBondContact CG-OE1 3.3Å; P235-Q289 HydrophobicContact CB-CG 4.32Å; P235-Q289 VanDerWaalsContact CB-NE2 3.33Å; P235-N316 PolarHBondContact O-ND2 2.96Å |
| 236 | K | 90 | Very high | 91.3 | Very high | 49 Ų | 49 | 37.8 Ų | 37.8 | 21% | 0.213 | 19% | 0.188 | C | C | . | . | trans | -114.4 | 95.9 | 178.1 | -75 | -177.1 | 177.4 | 167.5 | 0 | 110.1 | R231 C233 Q289 L290 I312 | R231-K236 WeakPolarHBondContact O-CE 3.14Å; R231-K236 PolarHBondContact O-NZ 3.29Å; C233-K236 WeakPolarHBondContact O-CE 3.24Å; C233-K236 WeakPolarHBondContact O-CG 3.37Å; K236-Q289 CarbonylContact O-C 3.34Å; K236-Q289 WeakPolarHBondContact O-CA 3.43Å; K236-L290 HydrophobicContact CB-CB 4.21Å; K236-L290 PolarHBondContact O-N 3.41Å; K236-I312 HydrophobicContact CB-CG2 4.34Å; K236-I312 WeakPolarHBondContact O-CG2 3.19Å | ||
| 237 | E | 91.2 | Very high | 91.4 | Very high | 50 Ų | 50 | 37.8 Ų | 37.8 | 23% | 0.234 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 143.9 | -169.1 | -70.2 | 174.9 | -152.4 | 0 | 0 | 111.8 | P235 I279 T287 F288 Q289 N316 | P235-E237 HydrophobicContact CB-CG 4.21Å; P235-E237 VanDerWaalsContact CB-OE1 3.24Å; P235-E237 WeakPolarHBondContact CB-OE1 3.12Å; P235-E237 HydrophobicContact CG-CG 4.39Å; P235-E237 WeakPolarHBondContact CG-OE1 3.3Å; E237-I279 HydrophobicContact CG-CD1 3.97Å; E237-I279 WeakPolarHBondContact OE1-CD1 3.14Å; E237-I279 WeakPolarHBondContact OE2-CD1 3.42Å; E237-T287 HydrophobicContact CB-CG2 3.96Å; E237-T287 HydrophobicContact CG-CG2 4.45Å; E237-F288 WeakPolarHBondContact CA-O 3.43Å; E237-Q289 HydrophobicContact CG-CB 3.77Å; E237-Q289 HydrophobicContact CG-CG 3.68Å; E237-Q289 PolarHBondContact OE1-NE2 2.95Å; E237-N316 PolarHBondContact N-OD1 3.46Å; E237-N316 VanDerWaalsContact O-CA 3.27Å; E237-N316 WeakPolarHBondContact O-CA 3.36Å; E237-N316 PolarHBondContact O-OD1 3.47Å |
| 238 | A | 92.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 144.7 | 165 | 0 | 0 | 0 | 0 | 0 | 111.7 | I243 F288 I312 M315 | A238-I243 HydrophobicContact CB-CD1 4.11Å; A238-I243 HydrophobicContact CB-CG1 3.72Å; A238-F288 PolarHBondContact N-O 2.85Å; A238-F288 PolarHBondContact O-N 3.34Å; A238-I312 HydrophobicContact CB-CB 4.42Å; A238-I312 HydrophobicContact CB-CG1 4.15Å; A238-M315 HydrophobicContact CB-CB 4.28Å |
| 239 | S | 92.6 | Very high | 91.5 | Very high | 32 Ų | 32 | 44 Ų | 44 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 149.3 | 169.9 | 74.8 | 0 | 0 | 0 | 0 | 111.3 | S241 L242 I243 G286 | S239-S241 PolarHBondContact O-N 3.04Å; S239-S241 PolarHBondContact OG-OG 3.1Å; S239-L242 PolarHBondContact O-N 2.54Å; S239-I243 WeakPolarHBondContact O-CG1 3.23Å; S239-I243 PolarHBondContact O-N 3.05Å; S239-G286 CarbonylContact C-O 3.6Å; S239-G286 VanDerWaalsContact CA-O 3.31Å; S239-G286 WeakPolarHBondContact CA-O 3.36Å |
| 240 | Y | 93.1 | Very high | 91.5 | Very high | 30 Ų | 30 | 47.4 Ų | 47.4 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -45.2 | -36.5 | 171.8 | 176.9 | -94.2 | 0 | 0 | 0 | 112.9 | L242 I243 R244 P260 L263 K264 L267 G286 | Y240-L242 PolarHBondContact O-N 2.87Å; Y240-I243 PolarHBondContact O-N 3.23Å; Y240-R244 VanDerWaalsContact O-CB 3.3Å; Y240-R244 WeakPolarHBondContact O-CB 3.48Å; Y240-R244 PolarHBondContact O-N 3.01Å; Y240-P260 PolarHBondContact OH-O 3.48Å; Y240-L263 HydrophobicContact CD2-CD2 4.17Å; Y240-L263 HydrophobicContact CD2-CG 4.43Å; Y240-L263 HydrophobicContact CE2-CD2 3.65Å; Y240-L263 HydrophobicContact CE2-CG 3.84Å; Y240-K264 HydrophobicContact CE2-CG 3.64Å; Y240-L267 HydrophobicContact CD2-CD1 3.63Å; Y240-L267 HydrophobicContact CE2-CD1 4.15Å; Y240-G286 PolarHBondContact N-O 3.39Å |
| 241 | S | 92.3 | Very high | 91.5 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 52% | 0.517 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67 | -33.7 | 179.5 | 79.1 | 0 | 0 | 0 | 0 | 113.7 | S239 K245 | S239-S241 PolarHBondContact O-N 3.04Å; S239-S241 PolarHBondContact OG-OG 3.1Å; S241-K245 WeakPolarHBondContact O-CB 3.42Å; S241-K245 PolarHBondContact O-N 2.89Å |
| 242 | L | 92.1 | Very high | 91.4 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -81.6 | -40.9 | 176.2 | -61.1 | -179.8 | 0 | 0 | 0 | 110.7 | S239 Y240 K245 Y246 M315 | S239-L242 PolarHBondContact O-N 2.54Å; Y240-L242 PolarHBondContact O-N 2.87Å; L242-K245 PolarHBondContact O-N 2.85Å; L242-Y246 PolarHBondContact O-N 3.41Å; L242-M315 HydrophobicContact CB-CB 3.91Å; L242-M315 HydrophobicContact CB-CE 4.01Å; L242-M315 HydrophobicContact CB-CG 4.22Å; L242-M315 HydrophobicContact CD1-CB 4.45Å; L242-M315 HydrophobicContact CD2-CE 3.89Å; L242-M315 HydrophobicContact CG-CE 4.37Å |
| 243 | I | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.3 | -52.6 | 175.2 | -62.2 | 170 | 0 | 0 | 0 | 110.1 | A238 S239 Y240 K245 Y246 V247 L263 L267 F288 I308 A311 I312 | A238-I243 HydrophobicContact CB-CD1 4.11Å; A238-I243 HydrophobicContact CB-CG1 3.72Å; S239-I243 WeakPolarHBondContact O-CG1 3.23Å; S239-I243 PolarHBondContact O-N 3.05Å; Y240-I243 PolarHBondContact O-N 3.23Å; I243-K245 VanDerWaalsContact C-N 3.3Å; I243-K245 PolarHBondContact O-N 2.95Å; I243-Y246 PolarHBondContact O-N 2.6Å; I243-V247 HydrophobicContact CG2-CG2 4.26Å; I243-V247 WeakPolarHBondContact O-CG2 3.43Å; I243-V247 PolarHBondContact O-N 3.19Å; I243-L263 HydrophobicContact CG2-CD1 3.79Å; I243-L263 HydrophobicContact CG2-CD2 4.19Å; I243-L267 HydrophobicContact CD1-CD2 4.22Å; I243-F288 HydrophobicContact CD1-CD2 4.17Å; I243-I308 HydrophobicContact CG2-CG1 4.39Å; I243-A311 HydrophobicContact CB-CB 4.32Å; I243-A311 HydrophobicContact CG1-CB 4.38Å; I243-A311 HydrophobicContact CG2-CB 3.98Å; I243-I312 HydrophobicContact CD1-CD1 4.24Å; I243-I312 HydrophobicContact CD1-CG1 3.77Å; I243-I312 HydrophobicContact CG1-CG1 4.11Å |
| 244 | R | 93.3 | Very high | 91.3 | Very high | 77 Ų | 77 | 57.6 Ų | 57.6 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55.1 | -44.4 | 176.8 | 178.8 | 174.8 | 174.7 | 173.7 | 5.4 | 112.2 | Y240 S248 V256 D257 L263 | Y240-R244 VanDerWaalsContact O-CB 3.3Å; Y240-R244 WeakPolarHBondContact O-CB 3.48Å; Y240-R244 PolarHBondContact O-N 3.01Å; R244-S248 WeakPolarHBondContact O-CB 3.28Å; R244-S248 PolarHBondContact O-N 3.05Å; R244-V256 HydrophobicContact CG-CG1 4.15Å; R244-D257 IonicContact CZ-OD1 2.73Å; R244-D257 IonicContact NE-OD1 3.22Å; R244-D257 PolarHBondContact NE-OD1 2.98Å; R244-D257 VanDerWaalsContact NE-OD1 3.08Å; R244-D257 PolarHBondContact NH2-O 2.68Å; R244-D257 VanDerWaalsContact NH2-O 3.13Å; R244-D257 IonicContact NH2-OD1 2.65Å; R244-D257 PolarHBondContact NH2-OD1 3.15Å; R244-L263 HydrophobicContact CB-CD2 3.82Å; R244-L263 HydrophobicContact CG-CD2 4.48Å |
| 245 | K | 93.3 | Very high | 91.3 | Very high | 110 Ų | 110 | 60.2 Ų | 60.2 | 48% | 0.478 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | -179.9 | -172.9 | -168.2 | -59.4 | 164.5 | 0 | 112 | S241 L242 I243 Q249 | S241-K245 WeakPolarHBondContact O-CB 3.42Å; S241-K245 PolarHBondContact O-N 2.89Å; L242-K245 PolarHBondContact O-N 2.85Å; I243-K245 VanDerWaalsContact C-N 3.3Å; I243-K245 PolarHBondContact O-N 2.95Å; K245-Q249 WeakPolarHBondContact O-CB 3.34Å; K245-Q249 PolarHBondContact O-N 2.92Å |
| 246 | Y | 94 | Very high | 91.3 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.5 | -46 | 178.3 | -170.2 | -90.9 | 0 | 0 | 0 | 112.1 | L242 I243 Q249 Y250 Y251 A311 A314 M315 P379 P381 | L242-Y246 PolarHBondContact O-N 3.41Å; I243-Y246 PolarHBondContact O-N 2.6Å; Y246-Q249 PolarHBondContact O-N 3.33Å; Y246-Y250 HydrophobicContact CD1-CD2 4.04Å; Y246-Y250 AromaticContact CD2-CD2 3.62Å; Y246-Y250 HydrophobicContact CD2-CD2 3.62Å; Y246-Y250 AromaticContact CD2-CE2 3.63Å; Y246-Y250 HydrophobicContact CD2-CE2 3.63Å; Y246-Y250 AromaticContact CE1-CD2 3.94Å; Y246-Y250 HydrophobicContact CE1-CD2 3.94Å; Y246-Y250 AromaticContact CE2-CD2 3.47Å; Y246-Y250 HydrophobicContact CE2-CD2 3.47Å; Y246-Y250 VanDerWaalsContact CE2-CD2 3.47Å; Y246-Y250 AromaticContact CE2-CE2 3.38Å; Y246-Y250 HydrophobicContact CE2-CE2 3.38Å; Y246-Y250 AromaticContact CG-CD2 3.92Å; Y246-Y250 HydrophobicContact CG-CD2 3.92Å; Y246-Y250 HydrophobicContact CG-CE2 4.37Å; Y246-Y250 AromaticContact CZ-CD2 3.67Å; Y246-Y250 AromaticContact CZ-CE2 3.98Å; Y246-Y250 WeakPolarHBondContact O-CD2 3.43Å; Y246-Y250 PolarHBondContact O-N 3.37Å; Y246-Y251 HydrophobicContact CD1-CE2 4.46Å; Y246-Y251 HydrophobicContact CE1-CE2 4.12Å; Y246-A311 VanDerWaalsContact CD1-CA 3.41Å; Y246-A311 HydrophobicContact CD1-CB 3.53Å; Y246-A311 HydrophobicContact CE1-CB 4.35Å; Y246-A311 HydrophobicContact CG-CB 3.88Å; Y246-A314 HydrophobicContact CD2-CB 3.86Å; Y246-A314 HydrophobicContact CE1-CB 4.38Å; Y246-A314 HydrophobicContact CE2-CB 3.21Å; Y246-M315 HydrophobicContact CD2-CG 3.93Å; Y246-M315 HydrophobicContact CD2-SD 3.67Å; Y246-M315 HydrophobicContact CG-CG 4.14Å; Y246-M315 HydrophobicContact CG-SD 4.34Å; Y246-P379 VanDerWaalsContact CE2-O 3.24Å; Y246-P379 WeakPolarHBondContact CE2-O 3.4Å; Y246-P379 PolarHBondContact OH-O 3.13Å; Y246-P381 HydrophobicContact CE1-CG 3.97Å; Y246-P381 VanDerWaalsContact OH-CD 3.3Å; Y246-P381 WeakPolarHBondContact OH-CD 3.06Å |
| 247 | V | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 179.8 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | I243 Y251 L254 V256 M304 A307 A311 | I243-V247 HydrophobicContact CG2-CG2 4.26Å; I243-V247 WeakPolarHBondContact O-CG2 3.43Å; I243-V247 PolarHBondContact O-N 3.19Å; V247-Y251 CarbonylContact O-C 3.53Å; V247-Y251 WeakPolarHBondContact O-CA 3.33Å; V247-Y251 WeakPolarHBondContact O-CB 3.34Å; V247-Y251 PolarHBondContact O-N 3.17Å; V247-L254 HydrophobicContact CG1-CB 4.39Å; V247-L254 HydrophobicContact CG1-CD1 3.72Å; V247-V256 HydrophobicContact CG1-CB 4.47Å; V247-V256 HydrophobicContact CG1-CG2 3.64Å; V247-M304 HydrophobicContact CG1-CE 4.12Å; V247-A307 HydrophobicContact CG1-CB 4.17Å; V247-A307 HydrophobicContact CG2-CB 4.09Å; V247-A311 HydrophobicContact CG2-CB 4.13Å |
| 248 | S | 93.1 | Very high | 91 | Very high | 42 Ų | 42 | 62.2 Ų | 62.2 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -54 | -51.4 | 168.6 | 170.7 | 0 | 0 | 0 | 0 | 112.3 | R244 D257 | R244-S248 WeakPolarHBondContact O-CB 3.28Å; R244-S248 PolarHBondContact O-N 3.05Å; S248-D257 WeakPolarHBondContact CB-OD2 3.25Å; S248-D257 PolarHBondContact OG-OD2 2.79Å |
| 249 | Q | 91.8 | Very high | 90.8 | Very high | 121 Ų | 121 | 68.9 Ų | 68.9 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -71.3 | -38.5 | -173.4 | -177.8 | 177 | -26.1 | 0 | 0 | 113.8 | K245 Y246 | K245-Q249 WeakPolarHBondContact O-CB 3.34Å; K245-Q249 PolarHBondContact O-N 2.92Å; Y246-Q249 PolarHBondContact O-N 3.33Å |
| 250 | Y | 91.7 | Very high | 90.5 | Very high | 73 Ų | 73 | 69 Ų | 69 | 29% | 0.286 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -109.9 | -16.3 | -171.5 | -64.9 | -69.2 | 0 | 0 | 0 | 115 | Y246 P252 P381 | Y246-Y250 HydrophobicContact CD1-CD2 4.04Å; Y246-Y250 AromaticContact CD2-CD2 3.62Å; Y246-Y250 HydrophobicContact CD2-CD2 3.62Å; Y246-Y250 AromaticContact CD2-CE2 3.63Å; Y246-Y250 HydrophobicContact CD2-CE2 3.63Å; Y246-Y250 AromaticContact CE1-CD2 3.94Å; Y246-Y250 HydrophobicContact CE1-CD2 3.94Å; Y246-Y250 AromaticContact CE2-CD2 3.47Å; Y246-Y250 HydrophobicContact CE2-CD2 3.47Å; Y246-Y250 VanDerWaalsContact CE2-CD2 3.47Å; Y246-Y250 AromaticContact CE2-CE2 3.38Å; Y246-Y250 HydrophobicContact CE2-CE2 3.38Å; Y246-Y250 AromaticContact CG-CD2 3.92Å; Y246-Y250 HydrophobicContact CG-CD2 3.92Å; Y246-Y250 HydrophobicContact CG-CE2 4.37Å; Y246-Y250 AromaticContact CZ-CD2 3.67Å; Y246-Y250 AromaticContact CZ-CE2 3.98Å; Y246-Y250 WeakPolarHBondContact O-CD2 3.43Å; Y246-Y250 PolarHBondContact O-N 3.37Å; Y250-P252 VanDerWaalsContact C-CD 3.41Å; Y250-P381 HydrophobicContact CG-CG 4.15Å |
| 251 | Y | 91.3 | Very high | 90.4 | Very high | 26 Ų | 26 | 73 Ų | 73 | 10% | 0.102 | 35% | 0.347 | C | S | . | . | trans | -128.5 | 59.1 | 179.9 | -58.5 | -100.1 | 0 | 0 | 0 | 111.7 | Y246 V247 K253 L254 Y306 A307 S310 P381 | Y246-Y251 HydrophobicContact CD1-CE2 4.46Å; Y246-Y251 HydrophobicContact CE1-CE2 4.12Å; V247-Y251 CarbonylContact O-C 3.53Å; V247-Y251 WeakPolarHBondContact O-CA 3.33Å; V247-Y251 WeakPolarHBondContact O-CB 3.34Å; V247-Y251 PolarHBondContact O-N 3.17Å; Y251-K253 PolarHBondContact O-N 3.45Å; Y251-L254 HydrophobicContact CD1-CD1 4.44Å; Y251-L254 HydrophobicContact CG-CD1 4.27Å; Y251-L254 PolarHBondContact O-N 2.98Å; Y251-Y306 HydrophobicContact CE1-CD1 4.18Å; Y251-Y306 HydrophobicContact CE1-CE1 4.47Å; Y251-Y306 WeakPolarHBondContact OH-CE1 3.43Å; Y251-A307 HydrophobicContact CD1-CB 3.85Å; Y251-A307 HydrophobicContact CD2-CB 3.72Å; Y251-A307 HydrophobicContact CE1-CB 3.83Å; Y251-A307 HydrophobicContact CE2-CB 3.69Å; Y251-A307 HydrophobicContact CG-CB 3.79Å; Y251-S310 WeakPolarHBondContact OH-CB 3.48Å; Y251-S310 PolarHBondContact OH-OG 2.9Å; Y251-P381 HydrophobicContact CD2-CG 4.46Å; Y251-P381 HydrophobicContact CE2-CB 4.38Å; Y251-P381 HydrophobicContact CE2-CG 3.52Å; Y251-P381 WeakPolarHBondContact OH-CB 3.25Å; Y251-P381 WeakPolarHBondContact OH-CG 3.48Å | ||
| 252 | P | 88.8 | Confident | 90.3 | Very high | 92 Ų | 92 | 73 Ų | 73 | 60% | 0.597 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -57.6 | -25.9 | -179.5 | 24.4 | -34.8 | 0 | 0 | 0 | 113.2 | Y250 L254 R255 | Y250-P252 VanDerWaalsContact C-CD 3.41Å; P252-L254 PolarHBondContact O-N 2.69Å; P252-R255 PolarHBondContact O-N 3.3Å |
| 253 | K | 88.4 | Confident | 90.3 | Very high | 192 Ų | 192 | 71.5 Ų | 71.5 | 84% | 0.835 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -52.4 | -34.3 | 171.9 | -67.1 | -166.6 | 175.3 | -168.2 | 0 | 112.8 | Y251 R255 | Y251-K253 PolarHBondContact O-N 3.45Å; K253-R255 VanDerWaalsContact C-N 3.31Å; K253-R255 PolarHBondContact O-N 2.9Å |
| 254 | L | 87.8 | Confident | 90.2 | Very high | 28 Ų | 28 | 74.8 Ų | 74.8 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -76.7 | -11.2 | -179.4 | -66.7 | 172.2 | 0 | 0 | 0 | 114 | V247 Y251 P252 V256 L303 M304 A307 | V247-L254 HydrophobicContact CG1-CB 4.39Å; V247-L254 HydrophobicContact CG1-CD1 3.72Å; Y251-L254 HydrophobicContact CD1-CD1 4.44Å; Y251-L254 HydrophobicContact CG-CD1 4.27Å; Y251-L254 PolarHBondContact O-N 2.98Å; P252-L254 PolarHBondContact O-N 2.69Å; L254-V256 HydrophobicContact CB-CG2 3.85Å; L254-V256 PolarHBondContact O-N 2.94Å; L254-L303 HydrophobicContact CD2-CD2 4.05Å; L254-L303 HydrophobicContact CD2-CG 4.35Å; L254-L303 HydrophobicContact CG-CD2 4.41Å; L254-M304 HydrophobicContact CD1-CE 4.13Å; L254-M304 HydrophobicContact CD1-SD 3.97Å; L254-M304 HydrophobicContact CD2-CB 4.39Å; L254-M304 HydrophobicContact CD2-SD 4.18Å; L254-M304 HydrophobicContact CG-SD 4.49Å; L254-A307 HydrophobicContact CD1-CB 3.65Å |
| 255 | R | 86.3 | Confident | 90.2 | Very high | 162 Ų | 162 | 75.3 Ų | 75.3 | 61% | 0.611 | 36% | 0.356 | S | S | * | . | trans | 48.9 | 32.5 | 176.3 | -57.7 | -173.5 | -175.9 | -175.1 | 3.4 | 115.1 | P252 K253 D257 I258 R259 | P252-R255 PolarHBondContact O-N 3.3Å; K253-R255 VanDerWaalsContact C-N 3.31Å; K253-R255 PolarHBondContact O-N 2.9Å; R255-D257 PolarHBondContact O-N 2.82Å; R255-D257 VanDerWaalsContact O-N 3.1Å; R255-I258 HydrophobicContact CB-CD1 4.49Å; R255-I258 PolarHBondContact O-N 3Å; R255-R259 PolarHBondContact O-N 3.13Å | ||
| 256 | V | 87.8 | Confident | 90.1 | Very high | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -25.1 | -172.4 | 180 | 0 | 0 | 0 | 0 | 113.3 | R244 V247 L254 R259 P260 L263 M304 | R244-V256 HydrophobicContact CG-CG1 4.15Å; V247-V256 HydrophobicContact CG1-CB 4.47Å; V247-V256 HydrophobicContact CG1-CG2 3.64Å; L254-V256 HydrophobicContact CB-CG2 3.85Å; L254-V256 PolarHBondContact O-N 2.94Å; V256-R259 CarbonylContact O-C 3.47Å; V256-P260 WeakPolarHBondContact O-CA 3.27Å; V256-L263 HydrophobicContact CG1-CB 3.59Å; V256-L263 HydrophobicContact CG1-CD2 3.75Å; V256-L263 HydrophobicContact CG1-CG 4.29Å; V256-L263 HydrophobicContact CG2-CB 4.44Å; V256-M304 HydrophobicContact CG2-CE 4.4Å; V256-M304 HydrophobicContact CG2-SD 4.49Å |
| 257 | D | 85.6 | Confident | 90.1 | Very high | 76 Ų | 76 | 70.6 Ų | 70.6 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -33.1 | 176.4 | -67.6 | -52.6 | 0 | 0 | 0 | 114.3 | R244 S248 R255 | R244-D257 IonicContact CZ-OD1 2.73Å; R244-D257 IonicContact NE-OD1 3.22Å; R244-D257 PolarHBondContact NE-OD1 2.98Å; R244-D257 VanDerWaalsContact NE-OD1 3.08Å; R244-D257 PolarHBondContact NH2-O 2.68Å; R244-D257 VanDerWaalsContact NH2-O 3.13Å; R244-D257 IonicContact NH2-OD1 2.65Å; R244-D257 PolarHBondContact NH2-OD1 3.15Å; S248-D257 WeakPolarHBondContact CB-OD2 3.25Å; S248-D257 PolarHBondContact OG-OD2 2.79Å; R255-D257 PolarHBondContact O-N 2.82Å; R255-D257 VanDerWaalsContact O-N 3.1Å |
| 258 | I | 88.5 | Confident | 90 | Very high | 134 Ų | 134 | 73.4 Ų | 73.4 | 69% | 0.687 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -41.7 | 176.1 | -53.2 | 174.5 | 0 | 0 | 0 | 109.6 | R255 P260 | R255-I258 HydrophobicContact CB-CD1 4.49Å; R255-I258 PolarHBondContact O-N 3Å; I258-P260 VanDerWaalsContact C-CD 3.42Å; I258-P260 VanDerWaalsContact O-CD 3.3Å; I258-P260 WeakPolarHBondContact O-CD 3.33Å |
| 259 | R | 87.3 | Confident | 89.9 | Confident | 143 Ų | 143 | 79 Ų | 79 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | trans | -120.3 | 69 | -178 | -61.4 | -167.4 | -63.7 | -175.9 | 2.2 | 111.9 | R255 V256 Q261 L262 | R255-R259 PolarHBondContact O-N 3.13Å; V256-R259 CarbonylContact O-C 3.47Å; R259-Q261 PolarHBondContact O-N 3.07Å; R259-Q261 VanDerWaalsContact O-N 3.12Å; R259-L262 HydrophobicContact CB-CD1 3.96Å; R259-L262 HydrophobicContact CB-CG 4.1Å; R259-L262 PolarHBondContact O-N 2.96Å; R259-L262 VanDerWaalsContact O-N 3.09Å | ||
| 260 | P | 88.1 | Confident | 89.9 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 22% | 0.221 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.1 | -20.2 | -179.9 | 25.5 | -34.9 | 0 | 0 | 0 | 113.3 | Y240 V256 I258 L262 L263 K264 | Y240-P260 PolarHBondContact OH-O 3.48Å; V256-P260 WeakPolarHBondContact O-CA 3.27Å; I258-P260 VanDerWaalsContact C-CD 3.42Å; I258-P260 VanDerWaalsContact O-CD 3.3Å; I258-P260 WeakPolarHBondContact O-CD 3.33Å; P260-L262 PolarHBondContact O-N 3.09Å; P260-L263 PolarHBondContact O-N 2.84Å; P260-K264 WeakPolarHBondContact O-CG 3.46Å; P260-K264 PolarHBondContact O-N 3.22Å; P260-K264 VanDerWaalsContact O-N 3.13Å |
| 261 | Q | 89.3 | Confident | 89.9 | Confident | 115 Ų | 115 | 71.5 Ų | 71.5 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.1 | -27.5 | 175 | -52.5 | -65 | 36.6 | 0 | 0 | 112.8 | R259 K264 N265 | R259-Q261 PolarHBondContact O-N 3.07Å; R259-Q261 VanDerWaalsContact O-N 3.12Å; Q261-K264 PolarHBondContact O-N 3.03Å; Q261-K264 VanDerWaalsContact OE1-CD 3.26Å; Q261-N265 WeakPolarHBondContact O-CB 3.26Å; Q261-N265 PolarHBondContact O-N 2.85Å; Q261-N265 PolarHBondContact O-OD1 3.17Å |
| 262 | L | 90.7 | Very high | 89.9 | Confident | 73 Ų | 73 | 76.4 Ų | 76.4 | 38% | 0.382 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.1 | -47.1 | 177.3 | -67.3 | 178.1 | 0 | 0 | 0 | 111.8 | R259 P260 K264 N265 A266 | R259-L262 HydrophobicContact CB-CD1 3.96Å; R259-L262 HydrophobicContact CB-CG 4.1Å; R259-L262 PolarHBondContact O-N 2.96Å; R259-L262 VanDerWaalsContact O-N 3.09Å; P260-L262 PolarHBondContact O-N 3.09Å; L262-K264 VanDerWaalsContact C-N 3.3Å; L262-K264 PolarHBondContact O-N 3.2Å; L262-N265 PolarHBondContact O-N 3.25Å; L262-A266 WeakPolarHBondContact O-CB 3.42Å; L262-A266 PolarHBondContact O-N 2.94Å |
| 263 | L | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 173.6 | 170.6 | 62.8 | 0 | 0 | 0 | 111 | Y240 I243 R244 V256 P260 A266 L267 M304 I308 | Y240-L263 HydrophobicContact CD2-CD2 4.17Å; Y240-L263 HydrophobicContact CD2-CG 4.43Å; Y240-L263 HydrophobicContact CE2-CD2 3.65Å; Y240-L263 HydrophobicContact CE2-CG 3.84Å; I243-L263 HydrophobicContact CG2-CD1 3.79Å; I243-L263 HydrophobicContact CG2-CD2 4.19Å; R244-L263 HydrophobicContact CB-CD2 3.82Å; R244-L263 HydrophobicContact CG-CD2 4.48Å; V256-L263 HydrophobicContact CG1-CB 3.59Å; V256-L263 HydrophobicContact CG1-CD2 3.75Å; V256-L263 HydrophobicContact CG1-CG 4.29Å; V256-L263 HydrophobicContact CG2-CB 4.44Å; P260-L263 PolarHBondContact O-N 2.84Å; L263-A266 PolarHBondContact O-N 2.82Å; L263-L267 HydrophobicContact CD1-CD1 3.77Å; L263-L267 HydrophobicContact CD1-CG 3.96Å; L263-L267 HydrophobicContact CG-CD1 3.88Å; L263-L267 HydrophobicContact CG-CG 4.48Å; L263-L267 WeakPolarHBondContact O-CB 3.28Å; L263-L267 VanDerWaalsContact O-CG 3.31Å; L263-L267 WeakPolarHBondContact O-CG 3.46Å; L263-L267 PolarHBondContact O-N 2.9Å; L263-M304 HydrophobicContact CB-CE 4.22Å; L263-M304 HydrophobicContact CD1-CE 3.62Å; L263-I308 HydrophobicContact CD1-CD1 3.9Å; L263-I308 HydrophobicContact CD1-CG1 3.67Å |
| 264 | K | 92.3 | Very high | 89.8 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 30% | 0.296 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.9 | -51.3 | 177.1 | -77.9 | -178.4 | 162 | -169.6 | 0 | 112.5 | Y240 P260 Q261 L262 A266 L267 Q268 A284 | Y240-K264 HydrophobicContact CE2-CG 3.64Å; P260-K264 WeakPolarHBondContact O-CG 3.46Å; P260-K264 PolarHBondContact O-N 3.22Å; P260-K264 VanDerWaalsContact O-N 3.13Å; Q261-K264 PolarHBondContact O-N 3.03Å; Q261-K264 VanDerWaalsContact OE1-CD 3.26Å; L262-K264 VanDerWaalsContact C-N 3.3Å; L262-K264 PolarHBondContact O-N 3.2Å; K264-A266 VanDerWaalsContact C-N 3.29Å; K264-A266 PolarHBondContact O-N 3.08Å; K264-L267 PolarHBondContact O-N 3.31Å; K264-Q268 WeakPolarHBondContact O-CB 3.42Å; K264-Q268 PolarHBondContact O-N 3.48Å; K264-A284 HydrophobicContact CB-CB 3.53Å; K264-A284 HydrophobicContact CD-CB 4.41Å; K264-A284 HydrophobicContact CG-CB 3.85Å; K264-A284 VanDerWaalsContact O-CB 3.29Å; K264-A284 WeakPolarHBondContact O-CB 3.32Å |
| 265 | N | 92.4 | Very high | 89.8 | Confident | 88 Ų | 88 | 71.8 Ų | 71.8 | 47% | 0.471 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66 | -33.2 | -179.4 | -65.7 | 7 | 0 | 0 | 0 | 111.5 | Q261 L262 R269 | Q261-N265 WeakPolarHBondContact O-CB 3.26Å; Q261-N265 PolarHBondContact O-N 2.85Å; Q261-N265 PolarHBondContact O-OD1 3.17Å; L262-N265 PolarHBondContact O-N 3.25Å; N265-R269 WeakPolarHBondContact O-CB 3.45Å; N265-R269 VanDerWaalsContact O-CG 3.25Å; N265-R269 WeakPolarHBondContact O-CG 3.36Å; N265-R269 PolarHBondContact O-N 3.05Å |
| 266 | A | 92.1 | Very high | 90 | Very high | 14 Ų | 14 | 64.2 Ų | 64.2 | 12% | 0.116 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.2 | -42.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L262 L263 K264 A270 M304 I308 | L262-A266 WeakPolarHBondContact O-CB 3.42Å; L262-A266 PolarHBondContact O-N 2.94Å; L263-A266 PolarHBondContact O-N 2.82Å; K264-A266 VanDerWaalsContact C-N 3.29Å; K264-A266 PolarHBondContact O-N 3.08Å; A266-A270 VanDerWaalsContact O-CB 3.31Å; A266-A270 WeakPolarHBondContact O-CB 3.47Å; A266-A270 PolarHBondContact O-N 3.07Å; A266-M304 HydrophobicContact CB-CG 3.5Å; A266-I308 HydrophobicContact CB-CD1 3.81Å |
| 267 | L | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64 | -43 | 174.1 | -73.9 | 166.6 | 0 | 0 | 0 | 111.8 | Y240 I243 L263 K264 A270 V271 L276 F288 I308 | Y240-L267 HydrophobicContact CD2-CD1 3.63Å; Y240-L267 HydrophobicContact CE2-CD1 4.15Å; I243-L267 HydrophobicContact CD1-CD2 4.22Å; L263-L267 HydrophobicContact CD1-CD1 3.77Å; L263-L267 HydrophobicContact CD1-CG 3.96Å; L263-L267 HydrophobicContact CG-CD1 3.88Å; L263-L267 HydrophobicContact CG-CG 4.48Å; L263-L267 WeakPolarHBondContact O-CB 3.28Å; L263-L267 VanDerWaalsContact O-CG 3.31Å; L263-L267 WeakPolarHBondContact O-CG 3.46Å; L263-L267 PolarHBondContact O-N 2.9Å; K264-L267 PolarHBondContact O-N 3.31Å; L267-A270 PolarHBondContact O-N 3.19Å; L267-V271 WeakPolarHBondContact O-CG2 3.14Å; L267-V271 PolarHBondContact O-N 3.33Å; L267-L276 HydrophobicContact CD2-CD1 3.63Å; L267-F288 HydrophobicContact CB-CE1 4.35Å; L267-F288 HydrophobicContact CB-CZ 4.21Å; L267-F288 HydrophobicContact CD1-CD2 4.26Å; L267-F288 HydrophobicContact CD1-CE2 3.85Å; L267-F288 HydrophobicContact CD1-CZ 4.28Å; L267-F288 HydrophobicContact CD2-CD2 4.09Å; L267-F288 HydrophobicContact CD2-CE2 4.37Å; L267-F288 HydrophobicContact CD2-CG 4.16Å; L267-I308 HydrophobicContact CD2-CD1 4.12Å; L267-I308 HydrophobicContact CD2-CG1 4.38Å; L267-I308 HydrophobicContact CD2-CG2 3.68Å; L267-I308 HydrophobicContact CG-CD1 4.16Å |
| 268 | Q | 92.5 | Very high | 90.5 | Very high | 59 Ų | 59 | 66.8 Ų | 66.8 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58 | -51.7 | 176.1 | -174.9 | 61.6 | 41.3 | 0 | 0 | 111 | K264 A270 V271 E272 G283 A284 | K264-Q268 WeakPolarHBondContact O-CB 3.42Å; K264-Q268 PolarHBondContact O-N 3.48Å; Q268-A270 VanDerWaalsContact C-N 3.32Å; Q268-A270 PolarHBondContact O-N 3.12Å; Q268-V271 PolarHBondContact O-N 3.27Å; Q268-V271 VanDerWaalsContact O-N 3.15Å; Q268-E272 VanDerWaalsContact CG-OE1 3.28Å; Q268-E272 WeakPolarHBondContact CG-OE1 3.3Å; Q268-E272 PolarHBondContact NE2-OE1 3.45Å; Q268-E272 WeakPolarHBondContact O-CG 3.32Å; Q268-E272 PolarHBondContact O-N 3.28Å; Q268-G283 VanDerWaalsContact OE1-CA 3.31Å; Q268-A284 HydrophobicContact CB-CB 4.31Å |
| 269 | R | 91.3 | Very high | 90.6 | Very high | 158 Ų | 158 | 64.2 Ų | 64.2 | 60% | 0.596 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60 | -37.4 | 174.9 | -73.7 | 171 | 178 | -177.4 | -2.8 | 113.2 | N265 V271 E272 R273 | N265-R269 WeakPolarHBondContact O-CB 3.45Å; N265-R269 VanDerWaalsContact O-CG 3.25Å; N265-R269 WeakPolarHBondContact O-CG 3.36Å; N265-R269 PolarHBondContact O-N 3.05Å; R269-V271 VanDerWaalsContact C-N 3.33Å; R269-E272 WeakPolarHBondContact CA-OE2 3.41Å; R269-E272 PolarHBondContact O-N 2.94Å; R269-R273 VanDerWaalsContact O-CB 3.27Å; R269-R273 WeakPolarHBondContact O-CB 3.31Å; R269-R273 WeakPolarHBondContact O-CD 3.3Å; R269-R273 WeakPolarHBondContact O-CG 3.22Å; R269-R273 PolarHBondContact O-N 3Å |
| 270 | A | 90.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.1 | -29.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A266 L267 Q268 Q275 L276 L299 | A266-A270 VanDerWaalsContact O-CB 3.31Å; A266-A270 WeakPolarHBondContact O-CB 3.47Å; A266-A270 PolarHBondContact O-N 3.07Å; L267-A270 PolarHBondContact O-N 3.19Å; Q268-A270 VanDerWaalsContact C-N 3.32Å; Q268-A270 PolarHBondContact O-N 3.12Å; A270-Q275 WeakPolarHBondContact O-CA 3.48Å; A270-Q275 WeakPolarHBondContact O-CB 3.39Å; A270-Q275 PolarHBondContact O-N 3.12Å; A270-L276 HydrophobicContact CB-CB 4.37Å; A270-L276 HydrophobicContact CB-CD1 3.75Å; A270-L276 HydrophobicContact CB-CG 3.89Å; A270-L276 PolarHBondContact O-N 3.12Å; A270-L299 HydrophobicContact CB-CD1 3.7Å |
| 271 | V | 92 | Very high | 90.4 | Very high | 38 Ų | 38 | 61.6 Ų | 61.6 | 23% | 0.23 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.3 | -44.3 | 169.8 | 173.7 | 0 | 0 | 0 | 0 | 111 | L267 Q268 R269 R273 G274 L276 Q278 F288 | L267-V271 WeakPolarHBondContact O-CG2 3.14Å; L267-V271 PolarHBondContact O-N 3.33Å; Q268-V271 PolarHBondContact O-N 3.27Å; Q268-V271 VanDerWaalsContact O-N 3.15Å; R269-V271 VanDerWaalsContact C-N 3.33Å; V271-R273 VanDerWaalsContact C-N 3.29Å; V271-R273 PolarHBondContact O-N 3.26Å; V271-G274 WeakPolarHBondContact O-CA 3.41Å; V271-G274 PolarHBondContact O-N 3.19Å; V271-L276 WeakPolarHBondContact CA-O 3.44Å; V271-L276 HydrophobicContact CG2-CB 3.89Å; V271-Q278 HydrophobicContact CG2-CB 4.47Å; V271-F288 HydrophobicContact CG2-CD1 3.83Å; V271-F288 HydrophobicContact CG2-CE1 3.91Å |
| 272 | E | 91.1 | Very high | 90.1 | Very high | 129 Ų | 129 | 65.4 Ų | 65.4 | 60% | 0.603 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.4 | -35.4 | 176.1 | -71 | 158.2 | 178 | 0 | 0 | 112.5 | Q268 R269 G274 | Q268-E272 VanDerWaalsContact CG-OE1 3.28Å; Q268-E272 WeakPolarHBondContact CG-OE1 3.3Å; Q268-E272 PolarHBondContact NE2-OE1 3.45Å; Q268-E272 WeakPolarHBondContact O-CG 3.32Å; Q268-E272 PolarHBondContact O-N 3.28Å; R269-E272 WeakPolarHBondContact CA-OE2 3.41Å; R269-E272 PolarHBondContact O-N 2.94Å; E272-G274 PolarHBondContact O-N 3.04Å |
| 273 | R | 88.9 | Confident | 89.5 | Confident | 154 Ų | 154 | 63.4 Ų | 63.4 | 58% | 0.581 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -1.4 | 171.8 | -71.7 | 169.1 | 169.7 | -164 | -12.6 | 113.9 | R269 V271 Q275 E305 | R269-R273 VanDerWaalsContact O-CB 3.27Å; R269-R273 WeakPolarHBondContact O-CB 3.31Å; R269-R273 WeakPolarHBondContact O-CD 3.3Å; R269-R273 WeakPolarHBondContact O-CG 3.22Å; R269-R273 PolarHBondContact O-N 3Å; V271-R273 VanDerWaalsContact C-N 3.29Å; V271-R273 PolarHBondContact O-N 3.26Å; R273-Q275 HydrophobicContact CB-CG 3.84Å; R273-Q275 PolarHBondContact O-N 3.12Å; R273-E305 IonicContact CZ-OE1 2.95Å; R273-E305 IonicContact NH1-OE1 2.68Å; R273-E305 PolarHBondContact NH1-OE1 3.15Å |
| 274 | G | 87.3 | Confident | 88.8 | Confident | 32 Ų | 32 | 64.3 Ų | 64.3 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 12.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | V271 E272 K291 | V271-G274 WeakPolarHBondContact O-CA 3.41Å; V271-G274 PolarHBondContact O-N 3.19Å; E272-G274 PolarHBondContact O-N 3.04Å; G274-K291 VanDerWaalsContact O-CD 3.24Å; G274-K291 WeakPolarHBondContact O-CD 3.2Å |
| 275 | Q | 87.9 | Confident | 88.4 | Confident | 28 Ų | 28 | 64 Ų | 64 | 13% | 0.131 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -82.2 | -29.7 | -179.1 | -58.7 | 174.5 | -29 | 0 | 0 | 111.9 | A270 R273 K291 L298 L299 | A270-Q275 WeakPolarHBondContact O-CA 3.48Å; A270-Q275 WeakPolarHBondContact O-CB 3.39Å; A270-Q275 PolarHBondContact O-N 3.12Å; R273-Q275 HydrophobicContact CB-CG 3.84Å; R273-Q275 PolarHBondContact O-N 3.12Å; Q275-K291 PolarHBondContact O-N 3.29Å; Q275-K291 VanDerWaalsContact O-N 3.07Å; Q275-L298 HydrophobicContact CB-CB 4.24Å; Q275-L298 HydrophobicContact CG-CB 3.85Å; Q275-L298 HydrophobicContact CG-CD1 4.49Å; Q275-L298 PolarHBondContact NE2-O 2.97Å; Q275-L298 VanDerWaalsContact NE2-O 3.17Å; Q275-L299 HydrophobicContact CB-CD1 4.28Å; Q275-L299 VanDerWaalsContact OE1-CD1 3.3Å |
| 276 | L | 90.2 | Very high | 88.2 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 150.6 | 171.2 | -65.5 | -177.6 | 0 | 0 | 0 | 110.3 | L267 A270 V271 F288 Q289 L290 L299 I308 I312 | L267-L276 HydrophobicContact CD2-CD1 3.63Å; A270-L276 HydrophobicContact CB-CB 4.37Å; A270-L276 HydrophobicContact CB-CD1 3.75Å; A270-L276 HydrophobicContact CB-CG 3.89Å; A270-L276 PolarHBondContact O-N 3.12Å; V271-L276 WeakPolarHBondContact CA-O 3.44Å; V271-L276 HydrophobicContact CG2-CB 3.89Å; L276-F288 HydrophobicContact CD1-CB 4.28Å; L276-Q289 CarbonylContact C-O 3.59Å; L276-Q289 WeakPolarHBondContact CA-O 3.49Å; L276-Q289 WeakPolarHBondContact CD2-O 3.35Å; L276-L290 HydrophobicContact CD2-CB 4.36Å; L276-L290 HydrophobicContact CD2-CD1 3.97Å; L276-L299 HydrophobicContact CD1-CD2 4.15Å; L276-L299 HydrophobicContact CD2-CD2 3.86Å; L276-L299 HydrophobicContact CG-CD2 4.08Å; L276-I308 HydrophobicContact CD1-CG2 4.1Å; L276-I312 HydrophobicContact CD1-CD1 4.12Å; L276-I312 HydrophobicContact CD2-CD1 3.56Å |
| 277 | E | 91 | Very high | 88.3 | Confident | 80 Ų | 80 | 61.4 Ų | 61.4 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.8 | 171.7 | -166.4 | 160.7 | 131.8 | 0 | 0 | 109.8 | F288 Q289 K291 | E277-F288 CarbonylContact O-C 3.56Å; E277-F288 WeakPolarHBondContact O-CA 3.4Å; E277-Q289 HydrophobicContact CB-CB 4.43Å; E277-Q289 PolarHBondContact N-O 3.09Å; E277-Q289 PolarHBondContact O-N 2.98Å; E277-K291 IonicContact OE2-NZ 3.87Å; E277-K291 PolarHBondContact OE2-NZ 3.26Å |
| 278 | Q | 92.1 | Very high | 88.3 | Confident | 52 Ų | 52 | 61.4 Ų | 61.4 | 24% | 0.243 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 102.9 | 178.9 | 177.7 | 165.6 | 28.5 | 0 | 0 | 110.1 | V271 T280 G283 S285 F288 | V271-Q278 HydrophobicContact CG2-CB 4.47Å; Q278-T280 VanDerWaalsContact CG-O 3.25Å; Q278-T280 WeakPolarHBondContact CG-O 3.32Å; Q278-T280 PolarHBondContact NE2-O 3.03Å; Q278-G283 VanDerWaalsContact CD-O 3.32Å; Q278-G283 PolarHBondContact NE2-O 3.28Å; Q278-G283 PolarHBondContact OE1-O 3.08Å; Q278-G283 VanDerWaalsContact OE1-O 3.13Å; Q278-S285 PolarHBondContact NE2-O 3.03Å; Q278-S285 VanDerWaalsContact NE2-O 3.08Å; Q278-F288 HydrophobicContact CB-CD1 4.41Å; Q278-F288 HydrophobicContact CB-CE1 4.36Å; Q278-F288 HydrophobicContact CG-CE1 4.42Å |
| 279 | I | 90.5 | Very high | 88.2 | Confident | 80 Ų | 80 | 60.9 Ų | 60.9 | 41% | 0.41 | 33% | 0.325 | S | S | . | . | trans | -77.8 | -36 | 178.2 | -59.9 | 175.6 | 0 | 0 | 0 | 111 | E237 T287 Q289 | E237-I279 HydrophobicContact CG-CD1 3.97Å; E237-I279 WeakPolarHBondContact OE1-CD1 3.14Å; E237-I279 WeakPolarHBondContact OE2-CD1 3.42Å; I279-T287 PolarHBondContact N-O 3.19Å; I279-T287 VanDerWaalsContact N-O 3.14Å; I279-Q289 HydrophobicContact CD1-CB 3.76Å; I279-Q289 HydrophobicContact CD1-CG 4.29Å; I279-Q289 HydrophobicContact CG1-CB 4.18Å | ||
| 280 | T | 88.7 | Confident | 88.1 | Confident | 66 Ų | 66 | 54.2 Ų | 54.2 | 41% | 0.405 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -136.4 | 155.4 | -176.7 | 69.3 | 0 | 0 | 0 | 0 | 112.7 | Q278 G286 T287 | Q278-T280 VanDerWaalsContact CG-O 3.25Å; Q278-T280 WeakPolarHBondContact CG-O 3.32Å; Q278-T280 PolarHBondContact NE2-O 3.03Å; T280-G286 WeakPolarHBondContact O-CA 3.48Å; T280-T287 WeakPolarHBondContact OG1-CB 3.28Å; T280-T287 PolarHBondContact OG1-N 2.91Å; T280-T287 PolarHBondContact OG1-OG1 3.34Å |
| 281 | G | 83.6 | Confident | 87.9 | Confident | 56 Ų | 56 | 58.3 Ų | 58.3 | 58% | 0.577 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 85.8 | -163.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | S285 | G281-S285 WeakPolarHBondContact CA-O 3.33Š|
| 282 | K | 81.7 | Confident | 87 | Confident | 196 Ų | 196 | 63 Ų | 63 | 85% | 0.852 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -142.5 | 130.6 | 177.8 | -66.6 | -170.6 | 177.3 | -172.8 | 0 | 109.4 | S285 | K282-S285 PolarHBondContact N-O 3.47Š|
| 283 | G | 79.4 | Confident | 85.2 | Confident | 30 Ų | 30 | 59.9 Ų | 59.9 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 58.5 | -147.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112 | Q268 Q278 S285 | Q268-G283 VanDerWaalsContact OE1-CA 3.31Å; Q278-G283 VanDerWaalsContact CD-O 3.32Å; Q278-G283 PolarHBondContact NE2-O 3.28Å; Q278-G283 PolarHBondContact OE1-O 3.08Å; Q278-G283 VanDerWaalsContact OE1-O 3.13Å; G283-S285 PolarHBondContact O-N 3.13Å |
| 284 | A | 76.6 | Confident | 83.6 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -68.7 | 36.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | K264 Q268 | K264-A284 HydrophobicContact CB-CB 3.53Å; K264-A284 HydrophobicContact CD-CB 4.41Å; K264-A284 HydrophobicContact CG-CB 3.85Å; K264-A284 VanDerWaalsContact O-CB 3.29Å; K264-A284 WeakPolarHBondContact O-CB 3.32Å; Q268-A284 HydrophobicContact CB-CB 4.31Å |
| 285 | S | 83.9 | Confident | 82 | Confident | 61 Ų | 61 | 63 Ų | 63 | 43% | 0.427 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -152.7 | 130.2 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | Q278 G281 K282 G283 | Q278-S285 PolarHBondContact NE2-O 3.03Å; Q278-S285 VanDerWaalsContact NE2-O 3.08Å; G281-S285 WeakPolarHBondContact CA-O 3.33Å; K282-S285 PolarHBondContact N-O 3.47Å; G283-S285 PolarHBondContact O-N 3.13Å |
| 286 | G | 89.5 | Confident | 80.6 | Confident | 15 Ų | 15 | 70 Ų | 70 | 16% | 0.155 | 39% | 0.389 | C | S | . | . | S | Bend | trans | 141.4 | -149 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | S239 Y240 T280 | S239-G286 CarbonylContact C-O 3.6Å; S239-G286 VanDerWaalsContact CA-O 3.31Å; S239-G286 WeakPolarHBondContact CA-O 3.36Å; Y240-G286 PolarHBondContact N-O 3.39Å; T280-G286 WeakPolarHBondContact O-CA 3.48Å |
| 287 | T | 92.4 | Very high | 79.4 | Confident | 32 Ų | 32 | 72.9 Ų | 72.9 | 20% | 0.196 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129 | 172.6 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | E237 I279 T280 | E237-T287 HydrophobicContact CB-CG2 3.96Å; E237-T287 HydrophobicContact CG-CG2 4.45Å; I279-T287 PolarHBondContact N-O 3.19Å; I279-T287 VanDerWaalsContact N-O 3.14Å; T280-T287 WeakPolarHBondContact OG1-CB 3.28Å; T280-T287 PolarHBondContact OG1-N 2.91Å; T280-T287 PolarHBondContact OG1-OG1 3.34Å |
| 288 | F | 92.6 | Very high | 78.4 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 0% | 0.004 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.8 | 177.7 | -58.5 | -86 | 0 | 0 | 0 | 109.7 | E237 A238 I243 L267 V271 L276 E277 Q278 | E237-F288 WeakPolarHBondContact CA-O 3.43Å; A238-F288 PolarHBondContact N-O 2.85Å; A238-F288 PolarHBondContact O-N 3.34Å; I243-F288 HydrophobicContact CD1-CD2 4.17Å; L267-F288 HydrophobicContact CB-CE1 4.35Å; L267-F288 HydrophobicContact CB-CZ 4.21Å; L267-F288 HydrophobicContact CD1-CD2 4.26Å; L267-F288 HydrophobicContact CD1-CE2 3.85Å; L267-F288 HydrophobicContact CD1-CZ 4.28Å; L267-F288 HydrophobicContact CD2-CD2 4.09Å; L267-F288 HydrophobicContact CD2-CE2 4.37Å; L267-F288 HydrophobicContact CD2-CG 4.16Å; V271-F288 HydrophobicContact CG2-CD1 3.83Å; V271-F288 HydrophobicContact CG2-CE1 3.91Å; L276-F288 HydrophobicContact CD1-CB 4.28Å; E277-F288 CarbonylContact O-C 3.56Å; E277-F288 WeakPolarHBondContact O-CA 3.4Å; Q278-F288 HydrophobicContact CB-CD1 4.41Å; Q278-F288 HydrophobicContact CB-CE1 4.36Å; Q278-F288 HydrophobicContact CG-CE1 4.42Å |
| 289 | Q | 91.6 | Very high | 77.6 | Confident | 47 Ų | 47 | 70.1 Ų | 70.1 | 22% | 0.22 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 140.3 | 172.4 | -167.7 | -176.6 | 84.5 | 0 | 0 | 109.4 | P235 K236 E237 L276 E277 I279 K291 | P235-Q289 HydrophobicContact CB-CG 4.32Å; P235-Q289 VanDerWaalsContact CB-NE2 3.33Å; K236-Q289 CarbonylContact O-C 3.34Å; K236-Q289 WeakPolarHBondContact O-CA 3.43Å; E237-Q289 HydrophobicContact CG-CB 3.77Å; E237-Q289 HydrophobicContact CG-CG 3.68Å; E237-Q289 PolarHBondContact OE1-NE2 2.95Å; L276-Q289 CarbonylContact C-O 3.59Å; L276-Q289 WeakPolarHBondContact CA-O 3.49Å; L276-Q289 WeakPolarHBondContact CD2-O 3.35Å; E277-Q289 HydrophobicContact CB-CB 4.43Å; E277-Q289 PolarHBondContact N-O 3.09Å; E277-Q289 PolarHBondContact O-N 2.98Å; I279-Q289 HydrophobicContact CD1-CB 3.76Å; I279-Q289 HydrophobicContact CD1-CG 4.29Å; I279-Q289 HydrophobicContact CG1-CB 4.18Å; Q289-K291 PolarHBondContact O-N 3.12Å |
| 290 | L | 89.5 | Confident | 76.5 | Confident | 19 Ų | 19 | 68.9 Ų | 68.9 | 10% | 0.099 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 114.4 | 172.3 | 179.4 | 65.1 | 0 | 0 | 0 | 110.2 | K236 L276 P297 L299 I312 | K236-L290 HydrophobicContact CB-CB 4.21Å; K236-L290 PolarHBondContact O-N 3.41Å; L276-L290 HydrophobicContact CD2-CB 4.36Å; L276-L290 HydrophobicContact CD2-CD1 3.97Å; L290-P297 HydrophobicContact CD1-CB 4.37Å; L290-P297 HydrophobicContact CD2-CB 4.05Å; L290-P297 HydrophobicContact CD2-CG 4.16Å; L290-L299 HydrophobicContact CD1-CB 4.06Å; L290-L299 HydrophobicContact CD1-CD2 4.49Å; L290-I312 HydrophobicContact CB-CG2 4.29Å |
| 291 | K | 85.8 | Confident | 75.9 | Confident | 86 Ų | 86 | 69.3 Ų | 69.3 | 37% | 0.374 | 42% | 0.421 | S | S | . | . | trans | -71.3 | 134.5 | 179.5 | -158.8 | 170.5 | -167.2 | 123.4 | 0 | 110.1 | G274 Q275 E277 Q289 | G274-K291 VanDerWaalsContact O-CD 3.24Å; G274-K291 WeakPolarHBondContact O-CD 3.2Å; Q275-K291 PolarHBondContact O-N 3.29Å; Q275-K291 VanDerWaalsContact O-N 3.07Å; E277-K291 IonicContact OE2-NZ 3.87Å; E277-K291 PolarHBondContact OE2-NZ 3.26Å; Q289-K291 PolarHBondContact O-N 3.12Å | ||
| 292 | K | 73.4 | Confident | 76 | Confident | 135 Ų | 135 | 69 Ų | 69 | 59% | 0.587 | 41% | 0.41 | S | S | * | . | trans | -91.1 | 119.6 | -179.4 | -77.3 | -179.4 | 145.6 | -159.7 | 0 | 110.9 | E234 | E234-K292 WeakPolarHBondContact OE1-CE 3.13Å; E234-K292 IonicContact OE1-NZ 3.64Å; E234-K292 PolarHBondContact OE1-NZ 3.24Å; E234-K292 IonicContact OE2-NZ 2.99Å; E234-K292 PolarHBondContact OE2-NZ 3.46Å | ||
| 293 | S | 53.1 | Low | 76.3 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -131.6 | 76 | 170.5 | -56.3 | 0 | 0 | 0 | 0 | 108.9 | L298 | S293-L298 WeakPolarHBondContact OG-CD1 3.48Š|
| 294 | G | 55 | Low | 76.8 | Confident | 65 Ų | 65 | 64 Ų | 64 | 67% | 0.67 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 87.6 | -169.3 | -171 | 0 | 0 | 0 | 0 | 0 | 113.8 | K296 | G294-K296 VanDerWaalsContact C-N 3.29Å; G294-K296 PolarHBondContact O-N 2.68Å |
| 295 | E | 52.8 | Low | 77.5 | Confident | 186 Ų | 186 | 63.9 Ų | 63.9 | 87% | 0.869 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -72.6 | -18.4 | -178.7 | -67.7 | -167.2 | 132.6 | 0 | 0 | 113.9 | ||
| 296 | K | 59.6 | Low | 77.8 | Confident | 177 Ų | 177 | 65 Ų | 65 | 77% | 0.77 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -99.8 | 130.7 | -179.8 | -65.4 | 179 | -177 | 174.9 | 0 | 110.2 | G294 | G294-K296 VanDerWaalsContact C-N 3.29Å; G294-K296 PolarHBondContact O-N 2.68Å |
| 297 | P | 64.8 | Low | 77.9 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 41% | 0.409 | 37% | 0.369 | S | S | . | . | trans | -57.9 | 135.7 | 167.1 | -26.3 | 36.7 | 0 | 0 | 0 | 111.8 | L290 L299 L309 | L290-P297 HydrophobicContact CD1-CB 4.37Å; L290-P297 HydrophobicContact CD2-CB 4.05Å; L290-P297 HydrophobicContact CD2-CG 4.16Å; P297-L299 PolarHBondContact O-N 3.45Å; P297-L309 HydrophobicContact CB-CD1 3.51Å; P297-L309 HydrophobicContact CB-CG 4.37Å; P297-L309 HydrophobicContact CG-CD1 4Å | ||
| 298 | L | 68.9 | Low | 77.9 | Confident | 73 Ų | 73 | 62.8 Ų | 62.8 | 38% | 0.382 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -71.3 | -18 | 173.2 | -63.2 | -176.9 | 0 | 0 | 0 | 113.5 | Q275 S293 G300 | Q275-L298 HydrophobicContact CB-CB 4.24Å; Q275-L298 HydrophobicContact CG-CB 3.85Å; Q275-L298 HydrophobicContact CG-CD1 4.49Å; Q275-L298 PolarHBondContact NE2-O 2.97Å; Q275-L298 VanDerWaalsContact NE2-O 3.17Å; S293-L298 WeakPolarHBondContact OG-CD1 3.48Å; L298-G300 VanDerWaalsContact C-N 3.28Å; L298-G300 PolarHBondContact O-N 3.45Å |
| 299 | L | 75.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.363 | C | S | . | . | trans | -83.9 | 62.8 | -172.3 | -168.5 | 64.7 | 0 | 0 | 0 | 112.3 | A270 Q275 L276 L290 P297 E305 I308 L309 | A270-L299 HydrophobicContact CB-CD1 3.7Å; Q275-L299 HydrophobicContact CB-CD1 4.28Å; Q275-L299 VanDerWaalsContact OE1-CD1 3.3Å; L276-L299 HydrophobicContact CD1-CD2 4.15Å; L276-L299 HydrophobicContact CD2-CD2 3.86Å; L276-L299 HydrophobicContact CG-CD2 4.08Å; L290-L299 HydrophobicContact CD1-CB 4.06Å; L290-L299 HydrophobicContact CD1-CD2 4.49Å; P297-L299 PolarHBondContact O-N 3.45Å; L299-E305 HydrophobicContact CD1-CB 3.8Å; L299-E305 HydrophobicContact CD1-CG 3.76Å; L299-E305 HydrophobicContact CG-CB 4.03Å; L299-I308 HydrophobicContact CD2-CB 4.11Å; L299-I308 HydrophobicContact CD2-CG2 3.71Å; L299-L309 HydrophobicContact CB-CB 4.39Å; L299-L309 HydrophobicContact CB-CD1 4.37Å; L299-L309 HydrophobicContact CD2-CB 4.17Å; L299-L309 HydrophobicContact CG-CB 4.34Å; L299-L309 WeakPolarHBondContact O-CD1 3.08Å | ||
| 300 | G | 68.2 | Low | 77.9 | Confident | 54 Ų | 54 | 61.1 Ų | 61.1 | 56% | 0.557 | 35% | 0.352 | S | S | * | . | trans | -142.9 | 126.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L298 | L298-G300 VanDerWaalsContact C-N 3.28Å; L298-G300 PolarHBondContact O-N 3.45Å | ||
| 301 | G | 76.3 | Confident | 78 | Confident | 75 Ų | 75 | 60.2 Ų | 60.2 | 77% | 0.773 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 173.1 | -72.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 302 | S | 85.3 | Confident | 78.3 | Confident | 49 Ų | 49 | 56.1 Ų | 56.1 | 34% | 0.343 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -83.3 | 156.8 | 172.6 | 70.8 | 0 | 0 | 0 | 0 | 113.4 | M304 E305 Y306 | S302-M304 PolarHBondContact O-N 3.21Å; S302-E305 VanDerWaalsContact CB-OE2 3.22Å; S302-E305 WeakPolarHBondContact CB-OE2 3.39Å; S302-E305 PolarHBondContact N-OE2 3.2Å; S302-E305 PolarHBondContact O-N 3.42Å; S302-E305 VanDerWaalsContact OG-CD 3.27Å; S302-E305 VanDerWaalsContact OG-CG 3.31Å; S302-E305 WeakPolarHBondContact OG-CG 3.31Å; S302-E305 PolarHBondContact OG-N 2.97Å; S302-E305 VanDerWaalsContact OG-N 3.13Å; S302-E305 PolarHBondContact OG-OE2 2.87Å; S302-Y306 PolarHBondContact O-N 3.11Å |
| 303 | L | 88.3 | Confident | 79.2 | Confident | 99 Ų | 99 | 50.2 Ų | 50.2 | 52% | 0.518 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.4 | -31.7 | 170.7 | -170.7 | 72 | 0 | 0 | 0 | 112.5 | L254 A307 | L254-L303 HydrophobicContact CD2-CD2 4.05Å; L254-L303 HydrophobicContact CD2-CG 4.35Å; L254-L303 HydrophobicContact CG-CD2 4.41Å; L303-A307 VanDerWaalsContact O-CB 3.27Å; L303-A307 WeakPolarHBondContact O-CB 3.48Å; L303-A307 PolarHBondContact O-N 2.64Å |
| 304 | M | 90 | Very high | 81 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 11% | 0.108 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.4 | -44.9 | 178.9 | -172.7 | 70.6 | -108.8 | 0 | 0 | 111.5 | V247 L254 V256 L263 A266 S302 A307 I308 | V247-M304 HydrophobicContact CG1-CE 4.12Å; L254-M304 HydrophobicContact CD1-CE 4.13Å; L254-M304 HydrophobicContact CD1-SD 3.97Å; L254-M304 HydrophobicContact CD2-CB 4.39Å; L254-M304 HydrophobicContact CD2-SD 4.18Å; L254-M304 HydrophobicContact CG-SD 4.49Å; V256-M304 HydrophobicContact CG2-CE 4.4Å; V256-M304 HydrophobicContact CG2-SD 4.49Å; L263-M304 HydrophobicContact CB-CE 4.22Å; L263-M304 HydrophobicContact CD1-CE 3.62Å; A266-M304 HydrophobicContact CB-CG 3.5Å; S302-M304 PolarHBondContact O-N 3.21Å; M304-A307 PolarHBondContact O-N 3.43Å; M304-I308 HydrophobicContact CE-CD1 3.98Å; M304-I308 HydrophobicContact CE-CG1 3.83Å; M304-I308 HydrophobicContact CG-CD1 4.36Å; M304-I308 VanDerWaalsContact O-CG1 3.28Å; M304-I308 WeakPolarHBondContact O-CG1 3.45Å; M304-I308 PolarHBondContact O-N 2.98Å |
| 305 | E | 89.9 | Confident | 82.7 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 176.1 | -71.2 | 158 | 138.3 | 0 | 0 | 111.1 | R273 L299 S302 A307 I308 L309 | R273-E305 IonicContact CZ-OE1 2.95Å; R273-E305 IonicContact NH1-OE1 2.68Å; R273-E305 PolarHBondContact NH1-OE1 3.15Å; L299-E305 HydrophobicContact CD1-CB 3.8Å; L299-E305 HydrophobicContact CD1-CG 3.76Å; L299-E305 HydrophobicContact CG-CB 4.03Å; S302-E305 VanDerWaalsContact CB-OE2 3.22Å; S302-E305 WeakPolarHBondContact CB-OE2 3.39Å; S302-E305 PolarHBondContact N-OE2 3.2Å; S302-E305 PolarHBondContact O-N 3.42Å; S302-E305 VanDerWaalsContact OG-CD 3.27Å; S302-E305 VanDerWaalsContact OG-CG 3.31Å; S302-E305 WeakPolarHBondContact OG-CG 3.31Å; S302-E305 PolarHBondContact OG-N 2.97Å; S302-E305 VanDerWaalsContact OG-N 3.13Å; S302-E305 PolarHBondContact OG-OE2 2.87Å; E305-A307 VanDerWaalsContact C-N 3.3Å; E305-A307 PolarHBondContact O-N 3.45Å; E305-I308 PolarHBondContact O-N 3.47Å; E305-I308 VanDerWaalsContact O-N 3.11Å; E305-L309 WeakPolarHBondContact O-CB 3.12Å; E305-L309 PolarHBondContact O-N 2.83Å |
| 306 | Y | 90.8 | Very high | 84.5 | Confident | 86 Ų | 86 | 35.8 Ų | 35.8 | 34% | 0.337 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.5 | -37.8 | 174.2 | -179.1 | -106.3 | 0 | 0 | 0 | 112.9 | Y251 S302 S310 F385 | Y251-Y306 HydrophobicContact CE1-CD1 4.18Å; Y251-Y306 HydrophobicContact CE1-CE1 4.47Å; Y251-Y306 WeakPolarHBondContact OH-CE1 3.43Å; S302-Y306 PolarHBondContact O-N 3.11Å; Y306-S310 VanDerWaalsContact O-CB 3.3Å; Y306-S310 WeakPolarHBondContact O-CB 3.42Å; Y306-S310 PolarHBondContact O-N 3.27Å; Y306-S310 PolarHBondContact O-OG 3.36Å; Y306-F385 HydrophobicContact CE2-CD2 4.33Å; Y306-F385 HydrophobicContact CE2-CG 4.44Å; Y306-F385 WeakPolarHBondContact OH-CB 3.5Å |
| 307 | A | 92 | Very high | 85.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.4 | -36.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V247 Y251 L254 L303 M304 E305 A311 | V247-A307 HydrophobicContact CG1-CB 4.17Å; V247-A307 HydrophobicContact CG2-CB 4.09Å; Y251-A307 HydrophobicContact CD1-CB 3.85Å; Y251-A307 HydrophobicContact CD2-CB 3.72Å; Y251-A307 HydrophobicContact CE1-CB 3.83Å; Y251-A307 HydrophobicContact CE2-CB 3.69Å; Y251-A307 HydrophobicContact CG-CB 3.79Å; L254-A307 HydrophobicContact CD1-CB 3.65Å; L303-A307 VanDerWaalsContact O-CB 3.27Å; L303-A307 WeakPolarHBondContact O-CB 3.48Å; L303-A307 PolarHBondContact O-N 2.64Å; M304-A307 PolarHBondContact O-N 3.43Å; E305-A307 VanDerWaalsContact C-N 3.3Å; E305-A307 PolarHBondContact O-N 3.45Å; A307-A311 VanDerWaalsContact O-CB 3.22Å; A307-A311 WeakPolarHBondContact O-CB 3.43Å; A307-A311 PolarHBondContact O-N 2.84Å |
| 308 | I | 92.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.7 | -47.2 | 173.6 | -66.9 | 161.4 | 0 | 0 | 0 | 110.8 | I243 L263 A266 L267 L276 L299 M304 E305 S310 A311 I312 | I243-I308 HydrophobicContact CG2-CG1 4.39Å; L263-I308 HydrophobicContact CD1-CD1 3.9Å; L263-I308 HydrophobicContact CD1-CG1 3.67Å; A266-I308 HydrophobicContact CB-CD1 3.81Å; L267-I308 HydrophobicContact CD2-CD1 4.12Å; L267-I308 HydrophobicContact CD2-CG1 4.38Å; L267-I308 HydrophobicContact CD2-CG2 3.68Å; L267-I308 HydrophobicContact CG-CD1 4.16Å; L276-I308 HydrophobicContact CD1-CG2 4.1Å; L299-I308 HydrophobicContact CD2-CB 4.11Å; L299-I308 HydrophobicContact CD2-CG2 3.71Å; M304-I308 HydrophobicContact CE-CD1 3.98Å; M304-I308 HydrophobicContact CE-CG1 3.83Å; M304-I308 HydrophobicContact CG-CD1 4.36Å; M304-I308 VanDerWaalsContact O-CG1 3.28Å; M304-I308 WeakPolarHBondContact O-CG1 3.45Å; M304-I308 PolarHBondContact O-N 2.98Å; E305-I308 PolarHBondContact O-N 3.47Å; E305-I308 VanDerWaalsContact O-N 3.11Å; I308-S310 VanDerWaalsContact C-N 3.32Å; I308-S310 PolarHBondContact O-N 3.2Å; I308-A311 WeakPolarHBondContact O-CB 3.12Å; I308-A311 PolarHBondContact O-N 2.75Å; I308-A311 VanDerWaalsContact O-N 3.15Å; I308-I312 HydrophobicContact CG2-CD1 3.7Å; I308-I312 HydrophobicContact CG2-CG1 4.29Å; I308-I312 WeakPolarHBondContact O-CG1 3.27Å; I308-I312 PolarHBondContact O-N 2.81Å |
| 309 | L | 91.4 | Very high | 87.8 | Confident | 13 Ų | 13 | 29.2 Ų | 29.2 | 7% | 0.068 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.1 | -48.7 | 174.9 | 175.1 | 162.2 | 0 | 0 | 0 | 110.9 | P297 L299 E305 A311 I312 A313 F385 | P297-L309 HydrophobicContact CB-CD1 3.51Å; P297-L309 HydrophobicContact CB-CG 4.37Å; P297-L309 HydrophobicContact CG-CD1 4Å; L299-L309 HydrophobicContact CB-CB 4.39Å; L299-L309 HydrophobicContact CB-CD1 4.37Å; L299-L309 HydrophobicContact CD2-CB 4.17Å; L299-L309 HydrophobicContact CG-CB 4.34Å; L299-L309 WeakPolarHBondContact O-CD1 3.08Å; E305-L309 WeakPolarHBondContact O-CB 3.12Å; E305-L309 PolarHBondContact O-N 2.83Å; L309-A311 VanDerWaalsContact C-N 3.33Å; L309-A311 PolarHBondContact O-N 2.71Å; L309-I312 PolarHBondContact O-N 3.48Å; L309-A313 WeakPolarHBondContact O-CB 3.31Å; L309-A313 PolarHBondContact O-N 3.48Å; L309-F385 HydrophobicContact CD2-CE1 4.25Å; L309-F385 HydrophobicContact CD2-CE2 3.47Å; L309-F385 VanDerWaalsContact CD2-CE2 3.47Å; L309-F385 HydrophobicContact CD2-CZ 3.3Å |
| 310 | S | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 177.7 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | Y251 Y306 I308 A314 L384 | Y251-S310 WeakPolarHBondContact OH-CB 3.48Å; Y251-S310 PolarHBondContact OH-OG 2.9Å; Y306-S310 VanDerWaalsContact O-CB 3.3Å; Y306-S310 WeakPolarHBondContact O-CB 3.42Å; Y306-S310 PolarHBondContact O-N 3.27Å; Y306-S310 PolarHBondContact O-OG 3.36Å; I308-S310 VanDerWaalsContact C-N 3.32Å; I308-S310 PolarHBondContact O-N 3.2Å; S310-A314 WeakPolarHBondContact O-CB 3.47Å; S310-A314 PolarHBondContact O-N 2.75Å; S310-L384 WeakPolarHBondContact O-CD2 3.32Å |
| 311 | A | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.6 | -45.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I243 Y246 V247 A307 I308 L309 A314 M315 | I243-A311 HydrophobicContact CB-CB 4.32Å; I243-A311 HydrophobicContact CG1-CB 4.38Å; I243-A311 HydrophobicContact CG2-CB 3.98Å; Y246-A311 VanDerWaalsContact CD1-CA 3.41Å; Y246-A311 HydrophobicContact CD1-CB 3.53Å; Y246-A311 HydrophobicContact CE1-CB 4.35Å; Y246-A311 HydrophobicContact CG-CB 3.88Å; V247-A311 HydrophobicContact CG2-CB 4.13Å; A307-A311 VanDerWaalsContact O-CB 3.22Å; A307-A311 WeakPolarHBondContact O-CB 3.43Å; A307-A311 PolarHBondContact O-N 2.84Å; I308-A311 WeakPolarHBondContact O-CB 3.12Å; I308-A311 PolarHBondContact O-N 2.75Å; I308-A311 VanDerWaalsContact O-N 3.15Å; L309-A311 VanDerWaalsContact C-N 3.33Å; L309-A311 PolarHBondContact O-N 2.71Å; A311-A314 PolarHBondContact O-N 2.83Å; A311-M315 WeakPolarHBondContact O-CB 3.16Å; A311-M315 WeakPolarHBondContact O-CG 3.11Å; A311-M315 PolarHBondContact O-N 3.03Å |
| 312 | I | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.9 | -48.8 | 178.6 | -68 | 168.7 | 0 | 0 | 0 | 109.8 | K236 A238 I243 L276 L290 I308 L309 A314 N316 | K236-I312 HydrophobicContact CB-CG2 4.34Å; K236-I312 WeakPolarHBondContact O-CG2 3.19Å; A238-I312 HydrophobicContact CB-CB 4.42Å; A238-I312 HydrophobicContact CB-CG1 4.15Å; I243-I312 HydrophobicContact CD1-CD1 4.24Å; I243-I312 HydrophobicContact CD1-CG1 3.77Å; I243-I312 HydrophobicContact CG1-CG1 4.11Å; L276-I312 HydrophobicContact CD1-CD1 4.12Å; L276-I312 HydrophobicContact CD2-CD1 3.56Å; L290-I312 HydrophobicContact CB-CG2 4.29Å; I308-I312 HydrophobicContact CG2-CD1 3.7Å; I308-I312 HydrophobicContact CG2-CG1 4.29Å; I308-I312 WeakPolarHBondContact O-CG1 3.27Å; I308-I312 PolarHBondContact O-N 2.81Å; L309-I312 PolarHBondContact O-N 3.48Å; I312-A314 PolarHBondContact O-N 3.09Å; I312-N316 WeakPolarHBondContact O-CB 3.44Å; I312-N316 PolarHBondContact O-N 3.49Å |
| 313 | A | 91.1 | Very high | 90.9 | Very high | 10 Ų | 10 | 25 Ų | 25 | 8% | 0.083 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T230 L309 L384 | T230-A313 WeakPolarHBondContact CG2-O 3.22Å; L309-A313 WeakPolarHBondContact O-CB 3.31Å; L309-A313 PolarHBondContact O-N 3.48Å; A313-L384 HydrophobicContact CB-CD2 3.9Å |
| 314 | A | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.8 | -40.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y246 S310 A311 I312 K319 P379 L384 | Y246-A314 HydrophobicContact CD2-CB 3.86Å; Y246-A314 HydrophobicContact CE1-CB 4.38Å; Y246-A314 HydrophobicContact CE2-CB 3.21Å; S310-A314 WeakPolarHBondContact O-CB 3.47Å; S310-A314 PolarHBondContact O-N 2.75Å; A311-A314 PolarHBondContact O-N 2.83Å; I312-A314 PolarHBondContact O-N 3.09Å; A314-K319 WeakPolarHBondContact O-CE 3.45Å; A314-K319 PolarHBondContact O-NZ 3.48Å; A314-P379 HydrophobicContact CB-CG 4.33Å; A314-L384 HydrophobicContact CB-CD2 3.89Å |
| 315 | M | 89.9 | Confident | 91.2 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.025 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -93.8 | -0.4 | -169.3 | -60 | -58.2 | -59.3 | 0 | 0 | 114.4 | A238 L242 Y246 A311 E317 Y378 | A238-M315 HydrophobicContact CB-CB 4.28Å; L242-M315 HydrophobicContact CB-CB 3.91Å; L242-M315 HydrophobicContact CB-CE 4.01Å; L242-M315 HydrophobicContact CB-CG 4.22Å; L242-M315 HydrophobicContact CD1-CB 4.45Å; L242-M315 HydrophobicContact CD2-CE 3.89Å; L242-M315 HydrophobicContact CG-CE 4.37Å; Y246-M315 HydrophobicContact CD2-CG 3.93Å; Y246-M315 HydrophobicContact CD2-SD 3.67Å; Y246-M315 HydrophobicContact CG-CG 4.14Å; Y246-M315 HydrophobicContact CG-SD 4.34Å; A311-M315 WeakPolarHBondContact O-CB 3.16Å; A311-M315 WeakPolarHBondContact O-CG 3.11Å; A311-M315 PolarHBondContact O-N 3.03Å; M315-E317 PolarHBondContact O-N 3.05Å; M315-Y378 HydrophobicContact CE-CD1 3.63Å; M315-Y378 HydrophobicContact CE-CD2 4.06Å; M315-Y378 HydrophobicContact CE-CE1 3.52Å; M315-Y378 HydrophobicContact CE-CE2 3.94Å; M315-Y378 HydrophobicContact CE-CG 3.92Å; M315-Y378 HydrophobicContact SD-CD1 3.48Å; M315-Y378 WeakPolarHBondContact SD-CD1 3.35Å; M315-Y378 HydrophobicContact SD-CD2 4.25Å; M315-Y378 HydrophobicContact SD-CE1 4.01Å; M315-Y378 HydrophobicContact SD-CG 3.63Å |
| 316 | N | 90.2 | Very high | 91.3 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | trans | -55.3 | 129 | 177.2 | -167.6 | 24.2 | 0 | 0 | 0 | 112.5 | C233 P235 E237 I312 K319 | C233-N316 PolarHBondContact SG-ND2 2.92Å; P235-N316 PolarHBondContact O-ND2 2.96Å; E237-N316 PolarHBondContact N-OD1 3.46Å; E237-N316 VanDerWaalsContact O-CA 3.27Å; E237-N316 WeakPolarHBondContact O-CA 3.36Å; E237-N316 PolarHBondContact O-OD1 3.47Å; I312-N316 WeakPolarHBondContact O-CB 3.44Å; I312-N316 PolarHBondContact O-N 3.49Å; N316-K319 WeakPolarHBondContact O-CE 3.17Å; N316-K319 WeakPolarHBondContact O-CG 3.37Å; N316-K319 PolarHBondContact O-NZ 3.14Å | ||
| 317 | E | 85.9 | Confident | 91.3 | Very high | 87 Ų | 87 | 22.8 Ų | 22.8 | 41% | 0.407 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -147.9 | 135.2 | 178.5 | -70.4 | -174.2 | 164 | 0 | 0 | 109.9 | M315 P376 Y378 | M315-E317 PolarHBondContact O-N 3.05Å; E317-P376 WeakPolarHBondContact OE1-CB 3.19Å; E317-Y378 HydrophobicContact CG-CE1 4.37Å; E317-Y378 WeakPolarHBondContact OE1-CE1 3.35Å; E317-Y378 PolarHBondContact OE1-OH 3.42Å |
| 318 | P | 86.7 | Confident | 91.3 | Very high | 79 Ų | 79 | 28.2 Ų | 28.2 | 51% | 0.513 | 16% | 0.157 | S | C | . | . | S | Bend | cis | -77 | 137.6 | 1.6 | 30.9 | -34.5 | 0 | 0 | 0 | 113.2 | C233 T320 Q372 | C233-P318 PolarHBondContact SG-O 3.09Å; C233-P318 VanDerWaalsContact SG-O 3.4Å; P318-T320 HydrophobicContact CB-CG2 4.23Å; P318-T320 HydrophobicContact CG-CG2 4.22Å; P318-T320 PolarHBondContact O-N 3.04Å; P318-Q372 HydrophobicContact CB-CG 4.33Å |
| 319 | K | 90.6 | Very high | 91.2 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 4% | 0.035 | 16% | 0.161 | C | C | . | . | trans | -77.4 | 86.4 | 174.2 | -68 | -168 | 169.2 | 68 | 0 | 110.7 | F229 T230 A314 N316 Q372 L373 Y377 | F229-K319 HydrophobicContact CB-CB 4.45Å; T230-K319 WeakPolarHBondContact OG1-CD 3.27Å; T230-K319 VanDerWaalsContact OG1-CE 3.23Å; T230-K319 WeakPolarHBondContact OG1-CE 3.22Å; A314-K319 WeakPolarHBondContact O-CE 3.45Å; A314-K319 PolarHBondContact O-NZ 3.48Å; N316-K319 WeakPolarHBondContact O-CE 3.17Å; N316-K319 WeakPolarHBondContact O-CG 3.37Å; N316-K319 PolarHBondContact O-NZ 3.14Å; K319-Q372 WeakPolarHBondContact O-CA 3.49Å; K319-L373 HydrophobicContact CB-CB 4.41Å; K319-L373 HydrophobicContact CB-CD1 3.99Å; K319-L373 HydrophobicContact CB-CG 4.17Å; K319-L373 HydrophobicContact CD-CD1 3.94Å; K319-L373 PolarHBondContact O-N 3.24Å; K319-L373 VanDerWaalsContact O-N 3.09Å; K319-Y377 WeakPolarHBondContact CE-O 3.24Å; K319-Y377 PolarHBondContact NZ-O 2.86Å | ||
| 320 | T | 91.6 | Very high | 91.1 | Very high | 41 Ų | 41 | 28.6 Ų | 28.6 | 25% | 0.252 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 154.1 | 173.3 | 73.7 | 0 | 0 | 0 | 0 | 111.1 | C233 P318 F371 Q372 | C233-T320 VanDerWaalsContact CA-O 3.28Å; C233-T320 WeakPolarHBondContact CA-O 3.3Å; C233-T320 VanDerWaalsContact CB-O 3.27Å; C233-T320 WeakPolarHBondContact CB-O 3.28Å; C233-T320 PolarHBondContact SG-N 3.23Å; C233-T320 VanDerWaalsContact SG-N 3.42Å; C233-T320 PolarHBondContact SG-O 2.99Å; C233-T320 VanDerWaalsContact SG-O 3.37Å; P318-T320 HydrophobicContact CB-CG2 4.23Å; P318-T320 HydrophobicContact CG-CG2 4.22Å; P318-T320 PolarHBondContact O-N 3.04Å; T320-F371 CarbonylContact C-O 3.49Å; T320-F371 VanDerWaalsContact CA-O 3.28Å; T320-F371 WeakPolarHBondContact CA-O 3.32Å; T320-Q372 HydrophobicContact CG2-CB 4.19Å; T320-Q372 HydrophobicContact CG2-CG 4.1Å |
| 321 | C | 92.3 | Very high | 90.9 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 144.1 | 171.5 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | F229 L232 L326 T370 F371 | F229-C321 HydrophobicContact CD1-CB 3.37Å; F229-C321 HydrophobicContact CE1-CB 3.45Å; F229-C321 VanDerWaalsContact CE1-CB 3.45Å; F229-C321 HydrophobicContact CG-CB 4.23Å; F229-C321 HydrophobicContact CZ-CB 4.35Å; L232-C321 WeakPolarHBondContact CB-SG 3.48Å; C321-L326 HydrophobicContact CB-CD2 4.5Å; C321-L326 HydrophobicContact CB-CG 4.32Å; C321-T370 WeakPolarHBondContact O-CA 3.35Å; C321-F371 PolarHBondContact N-O 3.36Å; C321-F371 PolarHBondContact O-N 2.92Å |
| 322 | S | 93.1 | Very high | 90.7 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 26% | 0.259 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 149.1 | 171.3 | 67.3 | 0 | 0 | 0 | 0 | 111.5 | T324 A325 L326 | S322-T324 PolarHBondContact O-N 3.4Å; S322-T324 PolarHBondContact OG-OG1 2.75Å; S322-T324 VanDerWaalsContact OG-OG1 3.08Å; S322-A325 PolarHBondContact O-N 3.17Å; S322-A325 VanDerWaalsContact OG-CB 3.28Å; S322-A325 WeakPolarHBondContact OG-CB 3.48Å; S322-A325 PolarHBondContact OG-N 2.9Å; S322-A325 VanDerWaalsContact OG-N 3.13Å; S322-L326 WeakPolarHBondContact O-CG 2.73Å; S322-L326 PolarHBondContact O-N 2.94Å; S322-L326 VanDerWaalsContact O-N 3.1Å |
| 323 | T | 92.1 | Very high | 90.3 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -32 | 170.5 | 46.6 | 0 | 0 | 0 | 0 | 112.1 | K327 L350 G369 F371 | T323-K327 WeakPolarHBondContact O-CB 3.45Å; T323-K327 WeakPolarHBondContact O-CD 3.47Å; T323-K327 WeakPolarHBondContact O-CG 3.11Å; T323-K327 PolarHBondContact O-N 3.35Å; T323-L350 HydrophobicContact CG2-CD1 4.37Å; T323-G369 WeakPolarHBondContact CG2-O 3.41Å; T323-G369 PolarHBondContact N-O 3.33Å; T323-G369 PolarHBondContact OG1-N 3.35Å; T323-G369 PolarHBondContact OG1-O 3.19Å; T323-F371 HydrophobicContact CG2-CD2 3.7Å; T323-F371 HydrophobicContact CG2-CE2 3.49Å; T323-F371 VanDerWaalsContact CG2-CE2 3.49Å |
| 324 | T | 92.4 | Very high | 89.7 | Confident | 95 Ų | 95 | 43.7 Ų | 43.7 | 58% | 0.583 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -65.7 | -44.6 | 176.6 | 43.9 | 0 | 0 | 0 | 0 | 112.2 | S322 K327 K328 | S322-T324 PolarHBondContact O-N 3.4Å; S322-T324 PolarHBondContact OG-OG1 2.75Å; S322-T324 VanDerWaalsContact OG-OG1 3.08Å; T324-K327 PolarHBondContact O-N 3.5Å; T324-K328 PolarHBondContact O-N 2.88Å; T324-K328 VanDerWaalsContact O-N 3.08Å |
| 325 | A | 92.5 | Very high | 88.9 | Confident | 26 Ų | 26 | 48.8 Ų | 48.8 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L232 S322 K327 K328 Y329 | L232-A325 HydrophobicContact CB-CB 4.47Å; L232-A325 HydrophobicContact CD1-CB 4.32Å; L232-A325 HydrophobicContact CD2-CB 4.42Å; S322-A325 PolarHBondContact O-N 3.17Å; S322-A325 VanDerWaalsContact OG-CB 3.28Å; S322-A325 WeakPolarHBondContact OG-CB 3.48Å; S322-A325 PolarHBondContact OG-N 2.9Å; S322-A325 VanDerWaalsContact OG-N 3.13Å; A325-K327 VanDerWaalsContact C-N 3.31Å; A325-K327 PolarHBondContact O-N 3.15Å; A325-K328 PolarHBondContact O-N 3.14Å; A325-Y329 WeakPolarHBondContact O-CB 3.29Å; A325-Y329 PolarHBondContact O-N 3.44Å |
| 326 | L | 91.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 174.3 | -70.6 | 170.2 | 0 | 0 | 0 | 112.3 | L225 A228 F229 L232 C321 S322 V330 L346 L350 | L225-L326 HydrophobicContact CD2-CD2 4.2Å; A228-L326 HydrophobicContact CB-CD2 4.09Å; F229-L326 HydrophobicContact CD2-CD2 4.4Å; F229-L326 HydrophobicContact CE1-CD1 4.49Å; F229-L326 HydrophobicContact CE2-CD1 4.16Å; F229-L326 HydrophobicContact CE2-CD2 4.19Å; F229-L326 HydrophobicContact CZ-CD1 3.84Å; L232-L326 HydrophobicContact CD1-CD2 4Å; C321-L326 HydrophobicContact CB-CD2 4.5Å; C321-L326 HydrophobicContact CB-CG 4.32Å; S322-L326 WeakPolarHBondContact O-CG 2.73Å; S322-L326 PolarHBondContact O-N 2.94Å; S322-L326 VanDerWaalsContact O-N 3.1Å; L326-V330 WeakPolarHBondContact O-CB 3.46Å; L326-V330 VanDerWaalsContact O-CG2 3.28Å; L326-V330 WeakPolarHBondContact O-CG2 3.49Å; L326-V330 PolarHBondContact O-N 3.1Å; L326-L346 HydrophobicContact CB-CD2 4.28Å; L326-L350 HydrophobicContact CD1-CD1 4.27Å; L326-L350 HydrophobicContact CD1-CD2 4.21Å |
| 327 | K | 91.6 | Very high | 86.8 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 176.3 | -70.9 | 166.6 | -174.9 | 173.2 | 0 | 111.3 | T323 T324 A325 L331 M343 L346 F367 | T323-K327 WeakPolarHBondContact O-CB 3.45Å; T323-K327 WeakPolarHBondContact O-CD 3.47Å; T323-K327 WeakPolarHBondContact O-CG 3.11Å; T323-K327 PolarHBondContact O-N 3.35Å; T324-K327 PolarHBondContact O-N 3.5Å; A325-K327 VanDerWaalsContact C-N 3.31Å; A325-K327 PolarHBondContact O-N 3.15Å; K327-L331 WeakPolarHBondContact O-CG 3.44Å; K327-L331 PolarHBondContact O-N 3.35Å; K327-M343 HydrophobicContact CB-CE 4.26Å; K327-M343 HydrophobicContact CB-SD 3.75Å; K327-M343 HydrophobicContact CD-SD 4.22Å; K327-M343 HydrophobicContact CG-CE 4.39Å; K327-M343 HydrophobicContact CG-SD 3.53Å; K327-M343 VanDerWaalsContact CG-SD 3.53Å; K327-L346 HydrophobicContact CG-CD2 4.1Å; K327-F367 VanDerWaalsContact CE-CE1 3.46Å; K327-F367 HydrophobicContact CG-CZ 4.39Å |
| 328 | K | 91.8 | Very high | 86.6 | Confident | 113 Ų | 113 | 55.7 Ų | 55.7 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.7 | -55.4 | 175.4 | 179.9 | 178.4 | 173.1 | -176.9 | 0 | 110.6 | T324 A325 V330 L331 E332 | T324-K328 PolarHBondContact O-N 2.88Å; T324-K328 VanDerWaalsContact O-N 3.08Å; A325-K328 PolarHBondContact O-N 3.14Å; K328-V330 PolarHBondContact O-N 3.36Å; K328-L331 PolarHBondContact O-N 3.31Å; K328-L331 VanDerWaalsContact O-N 3.12Å; K328-E332 VanDerWaalsContact CE-CD 3.48Å; K328-E332 WeakPolarHBondContact CE-OE1 3.48Å; K328-E332 HydrophobicContact CG-CG 4.46Å; K328-E332 WeakPolarHBondContact CG-OE1 3.39Å; K328-E332 WeakPolarHBondContact CG-OE2 3.44Å; K328-E332 IonicContact NZ-OE1 2.69Å; K328-E332 WeakPolarHBondContact O-CG 3.4Å; K328-E332 PolarHBondContact O-N 3.08Å; K328-E332 VanDerWaalsContact O-N 3.08Å |
| 329 | Y | 90.4 | Very high | 86.6 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 8% | 0.078 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.6 | -42.7 | -178.2 | -178.8 | -89.2 | 0 | 0 | 0 | 113.9 | V224 A228 R231 L232 A325 E332 N333 | V224-Y329 HydrophobicContact CG1-CE1 4.1Å; A228-Y329 HydrophobicContact CB-CD1 3.55Å; A228-Y329 HydrophobicContact CB-CE1 3.45Å; A228-Y329 VanDerWaalsContact CB-CE1 3.45Å; A228-Y329 HydrophobicContact CB-CG 4.25Å; R231-Y329 HydrophobicContact CB-CE2 4.19Å; R231-Y329 HydrophobicContact CG-CE2 4.09Å; L232-Y329 HydrophobicContact CD1-CD2 4.18Å; L232-Y329 HydrophobicContact CD1-CG 3.88Å; L232-Y329 HydrophobicContact CD2-CD2 4.08Å; L232-Y329 HydrophobicContact CD2-CG 4.45Å; L232-Y329 HydrophobicContact CG-CD2 4.2Å; L232-Y329 HydrophobicContact CG-CG 4.41Å; A325-Y329 WeakPolarHBondContact O-CB 3.29Å; A325-Y329 PolarHBondContact O-N 3.44Å; Y329-E332 PolarHBondContact O-N 3.4Å; Y329-N333 HydrophobicContact CD1-CB 4.42Å; Y329-N333 VanDerWaalsContact CD2-ND2 3.26Å; Y329-N333 WeakPolarHBondContact CD2-ND2 3.36Å; Y329-N333 HydrophobicContact CE1-CB 4.03Å; Y329-N333 HydrophobicContact CE2-CB 4.4Å; Y329-N333 VanDerWaalsContact CE2-ND2 3.33Å; Y329-N333 WeakPolarHBondContact CE2-ND2 3.31Å; Y329-N333 WeakPolarHBondContact O-CB 3.31Å; Y329-N333 PolarHBondContact O-N 3.3Å; Y329-N333 PolarHBondContact O-ND2 2.97Å |
| 330 | V | 89.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.2 | -34.4 | -179.7 | 169.4 | 0 | 0 | 0 | 0 | 112.1 | L221 L326 K328 H334 Q342 M343 L346 | L221-V330 HydrophobicContact CD1-CG1 4.32Å; L221-V330 HydrophobicContact CD1-CG2 3.74Å; L326-V330 WeakPolarHBondContact O-CB 3.46Å; L326-V330 VanDerWaalsContact O-CG2 3.28Å; L326-V330 WeakPolarHBondContact O-CG2 3.49Å; L326-V330 PolarHBondContact O-N 3.1Å; K328-V330 PolarHBondContact O-N 3.36Å; V330-H334 CarbonylContact O-C 3.6Å; V330-H334 WeakPolarHBondContact O-CA 3.27Å; V330-H334 PolarHBondContact O-N 3.18Å; V330-H334 VanDerWaalsContact O-N 3.09Å; V330-Q342 HydrophobicContact CG1-CB 4.19Å; V330-M343 HydrophobicContact CG1-CE 4.37Å; V330-L346 HydrophobicContact CB-CD2 4.5Å; V330-L346 HydrophobicContact CG2-CD1 4.29Å; V330-L346 HydrophobicContact CG2-CD2 4.2Å |
| 331 | L | 88.5 | Confident | 86.1 | Confident | 70 Ų | 70 | 66 Ų | 66 | 37% | 0.366 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.3 | -35 | 175.1 | -66.8 | 171.6 | 0 | 0 | 0 | 112.1 | K327 K328 S339 M343 | K327-L331 WeakPolarHBondContact O-CG 3.44Å; K327-L331 PolarHBondContact O-N 3.35Å; K328-L331 PolarHBondContact O-N 3.31Å; K328-L331 VanDerWaalsContact O-N 3.12Å; L331-S339 VanDerWaalsContact CD2-OG 3.31Å; L331-S339 WeakPolarHBondContact CD2-OG 3.25Å; L331-M343 HydrophobicContact CD1-CE 4.26Å; L331-M343 HydrophobicContact CD2-CE 3.95Å; L331-M343 HydrophobicContact CG-CE 3.82Å |
| 332 | E | 87.8 | Confident | 85.9 | Confident | 116 Ų | 116 | 66.9 Ų | 66.9 | 54% | 0.542 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -79.5 | -42.7 | -179.2 | -68.6 | 170.7 | 155.7 | 0 | 0 | 113.7 | K328 Y329 | K328-E332 VanDerWaalsContact CE-CD 3.48Å; K328-E332 WeakPolarHBondContact CE-OE1 3.48Å; K328-E332 HydrophobicContact CG-CG 4.46Å; K328-E332 WeakPolarHBondContact CG-OE1 3.39Å; K328-E332 WeakPolarHBondContact CG-OE2 3.44Å; K328-E332 IonicContact NZ-OE1 2.69Å; K328-E332 WeakPolarHBondContact O-CG 3.4Å; K328-E332 PolarHBondContact O-N 3.08Å; K328-E332 VanDerWaalsContact O-N 3.08Å; Y329-E332 PolarHBondContact O-N 3.4Å |
| 333 | N | 83.9 | Confident | 85.7 | Confident | 77 Ų | 77 | 66.7 Ų | 66.7 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -95.6 | -20.6 | -171.7 | -65.3 | -106.5 | 0 | 0 | 0 | 112.4 | Y329 | Y329-N333 HydrophobicContact CD1-CB 4.42Å; Y329-N333 VanDerWaalsContact CD2-ND2 3.26Å; Y329-N333 WeakPolarHBondContact CD2-ND2 3.36Å; Y329-N333 HydrophobicContact CE1-CB 4.03Å; Y329-N333 HydrophobicContact CE2-CB 4.4Å; Y329-N333 VanDerWaalsContact CE2-ND2 3.33Å; Y329-N333 WeakPolarHBondContact CE2-ND2 3.31Å; Y329-N333 WeakPolarHBondContact O-CB 3.31Å; Y329-N333 PolarHBondContact O-N 3.3Å; Y329-N333 PolarHBondContact O-ND2 2.97Å |
| 334 | H | 79.6 | Confident | 85.6 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 30% | 0.301 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -134.2 | 64.8 | 177 | -59 | -62.9 | 0 | 0 | 0 | 111.2 | V224 V330 G336 Q342 | V224-H334 VanDerWaalsContact CG1-NE2 3.33Å; V224-H334 WeakPolarHBondContact CG1-NE2 3.38Å; V330-H334 CarbonylContact O-C 3.6Å; V330-H334 WeakPolarHBondContact O-CA 3.27Å; V330-H334 PolarHBondContact O-N 3.18Å; V330-H334 VanDerWaalsContact O-N 3.09Å; H334-G336 PolarHBondContact O-N 2.87Å; H334-Q342 PolarHBondContact O-NE2 3.49Å |
| 335 | P | 75.1 | Confident | 85.6 | Confident | 107 Ų | 107 | 69.1 Ų | 69.1 | 70% | 0.695 | 38% | 0.376 | S | S | * | . | trans | -61.6 | 95 | 178.2 | 27.1 | -35.5 | 0 | 0 | 0 | 110.7 | ||||
| 336 | G | 68.4 | Low | 85.5 | Confident | 33 Ų | 33 | 67.9 Ų | 67.9 | 34% | 0.34 | 37% | 0.365 | S | S | . | . | trans | -84 | 152 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | H334 N338 | H334-G336 PolarHBondContact O-N 2.87Å; G336-N338 PolarHBondContact O-N 3.38Å | ||
| 337 | A | 68.3 | Low | 85.5 | Confident | 106 Ų | 106 | 72 Ų | 72 | 88% | 0.876 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -55 | -10.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 338 | N | 79.9 | Confident | 85.6 | Confident | 106 Ų | 106 | 75 Ų | 75 | 57% | 0.567 | 40% | 0.396 | S | S | * | . | trans | -141.6 | 111.2 | 172 | -81.2 | -83 | 0 | 0 | 0 | 111.2 | G336 N340 Y341 Q342 | G336-N338 PolarHBondContact O-N 3.38Å; N338-N340 VanDerWaalsContact C-N 3.32Å; N338-N340 PolarHBondContact O-N 3.42Å; N338-Y341 WeakPolarHBondContact O-CB 3.16Å; N338-Y341 PolarHBondContact O-N 3.49Å; N338-Q342 PolarHBondContact O-N 3.26Å; N338-Q342 VanDerWaalsContact O-N 3.13Å | ||
| 339 | S | 86.8 | Confident | 85.6 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 42% | 0.42 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -52.9 | -46.3 | 173.8 | 166.9 | 0 | 0 | 0 | 0 | 112.4 | L331 Y341 Q342 M343 | L331-S339 VanDerWaalsContact CD2-OG 3.31Å; L331-S339 WeakPolarHBondContact CD2-OG 3.25Å; S339-Y341 VanDerWaalsContact C-N 3.27Å; S339-Y341 PolarHBondContact O-N 2.87Å; S339-Q342 PolarHBondContact O-N 2.93Å; S339-Q342 VanDerWaalsContact O-N 3.11Å; S339-M343 WeakPolarHBondContact O-CG 3.47Å; S339-M343 PolarHBondContact O-N 3.13Å |
| 340 | N | 86.3 | Confident | 85.7 | Confident | 136 Ų | 136 | 69 Ų | 69 | 73% | 0.727 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58.8 | -35 | 176.4 | -74.6 | -59.5 | 0 | 0 | 0 | 113.3 | N338 H344 | N338-N340 VanDerWaalsContact C-N 3.32Å; N338-N340 PolarHBondContact O-N 3.42Å; N340-H344 PolarHBondContact O-N 2.88Å; N340-H344 VanDerWaalsContact O-N 3.12Å |
| 341 | Y | 87.3 | Confident | 85.8 | Confident | 147 Ų | 147 | 71.8 Ų | 71.8 | 58% | 0.576 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -69.1 | -44 | 175.5 | -177.7 | -89.8 | 0 | 0 | 0 | 111.1 | N338 S339 M343 H344 L345 | N338-Y341 WeakPolarHBondContact O-CB 3.16Å; N338-Y341 PolarHBondContact O-N 3.49Å; S339-Y341 VanDerWaalsContact C-N 3.27Å; S339-Y341 PolarHBondContact O-N 2.87Å; Y341-M343 VanDerWaalsContact C-N 3.31Å; Y341-M343 PolarHBondContact O-N 3.4Å; Y341-H344 PolarHBondContact O-N 3.45Å; Y341-L345 HydrophobicContact CE1-CD2 4.27Å; Y341-L345 WeakPolarHBondContact O-CB 3.48Å; Y341-L345 PolarHBondContact O-N 2.89Å |
| 342 | Q | 86.3 | Confident | 86 | Confident | 26 Ų | 26 | 72.7 Ų | 72.7 | 12% | 0.121 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 176.2 | -65.5 | -66 | 42.9 | 0 | 0 | 112.2 | V330 H334 N338 S339 L345 L346 | V330-Q342 HydrophobicContact CG1-CB 4.19Å; H334-Q342 PolarHBondContact O-NE2 3.49Å; N338-Q342 PolarHBondContact O-N 3.26Å; N338-Q342 VanDerWaalsContact O-N 3.13Å; S339-Q342 PolarHBondContact O-N 2.93Å; S339-Q342 VanDerWaalsContact O-N 3.11Å; Q342-L345 PolarHBondContact O-N 3.49Å; Q342-L346 VanDerWaalsContact O-CB 3.31Å; Q342-L346 WeakPolarHBondContact O-CB 3.27Å; Q342-L346 PolarHBondContact O-N 2.98Å |
| 343 | M | 90.4 | Very high | 86.1 | Confident | 32 Ų | 32 | 67.1 Ų | 67.1 | 16% | 0.158 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 174.8 | -65.1 | -59.6 | 96.2 | 0 | 0 | 112.7 | K327 V330 L331 S339 Y341 L346 K347 F367 | K327-M343 HydrophobicContact CB-CE 4.26Å; K327-M343 HydrophobicContact CB-SD 3.75Å; K327-M343 HydrophobicContact CD-SD 4.22Å; K327-M343 HydrophobicContact CG-CE 4.39Å; K327-M343 HydrophobicContact CG-SD 3.53Å; K327-M343 VanDerWaalsContact CG-SD 3.53Å; V330-M343 HydrophobicContact CG1-CE 4.37Å; L331-M343 HydrophobicContact CD1-CE 4.26Å; L331-M343 HydrophobicContact CD2-CE 3.95Å; L331-M343 HydrophobicContact CG-CE 3.82Å; S339-M343 WeakPolarHBondContact O-CG 3.47Å; S339-M343 PolarHBondContact O-N 3.13Å; Y341-M343 VanDerWaalsContact C-N 3.31Å; Y341-M343 PolarHBondContact O-N 3.4Å; M343-L346 HydrophobicContact CE-CD2 4.33Å; M343-K347 WeakPolarHBondContact O-CB 3.45Å; M343-K347 PolarHBondContact O-N 3.01Å; M343-F367 WeakPolarHBondContact O-CZ 3.49Å |
| 344 | H | 89.9 | Confident | 86.5 | Confident | 95 Ų | 95 | 66.9 Ų | 66.9 | 44% | 0.44 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.7 | -36.4 | 175.3 | 179.9 | -152.1 | 0 | 0 | 0 | 112.5 | N340 Y341 K348 | N340-H344 PolarHBondContact O-N 2.88Å; N340-H344 VanDerWaalsContact O-N 3.12Å; Y341-H344 PolarHBondContact O-N 3.45Å; H344-K348 PolarHBondContact CE1-NZ 2.86Å; H344-K348 WeakPolarHBondContact NE2-CE 3.43Å; H344-K348 PolarHBondContact NE2-NZ 3.4Å; H344-K348 PolarHBondContact O-N 3.42Å; H344-K348 VanDerWaalsContact O-N 3.07Å |
| 345 | L | 90.8 | Very high | 87 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 30% | 0.304 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.2 | -50.4 | 173.7 | -176.1 | 60.6 | 0 | 0 | 0 | 110.7 | L221 Y341 Q342 K347 K348 T349 | L221-L345 HydrophobicContact CD2-CD2 4.39Å; L221-L345 HydrophobicContact CD2-CG 4.05Å; Y341-L345 HydrophobicContact CE1-CD2 4.27Å; Y341-L345 WeakPolarHBondContact O-CB 3.48Å; Y341-L345 PolarHBondContact O-N 2.89Å; Q342-L345 PolarHBondContact O-N 3.49Å; L345-K347 VanDerWaalsContact C-N 3.3Å; L345-K347 PolarHBondContact O-N 3Å; L345-K348 PolarHBondContact O-N 3.18Å; L345-K348 VanDerWaalsContact O-N 3.08Å; L345-T349 WeakPolarHBondContact O-CB 3.2Å; L345-T349 PolarHBondContact O-N 2.99Å; L345-T349 PolarHBondContact O-OG1 2.9Å |
| 346 | L | 91.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.3 | -43.9 | 175 | -179.3 | 59.3 | 0 | 0 | 0 | 111.9 | L221 L225 L326 K327 V330 Q342 M343 K348 T349 L350 F367 | L221-L346 HydrophobicContact CD2-CB 3.88Å; L221-L346 HydrophobicContact CD2-CD1 4.03Å; L221-L346 HydrophobicContact CG-CD1 4.49Å; L225-L346 HydrophobicContact CD2-CD1 4.09Å; L326-L346 HydrophobicContact CB-CD2 4.28Å; K327-L346 HydrophobicContact CG-CD2 4.1Å; V330-L346 HydrophobicContact CB-CD2 4.5Å; V330-L346 HydrophobicContact CG2-CD1 4.29Å; V330-L346 HydrophobicContact CG2-CD2 4.2Å; Q342-L346 VanDerWaalsContact O-CB 3.31Å; Q342-L346 WeakPolarHBondContact O-CB 3.27Å; Q342-L346 PolarHBondContact O-N 2.98Å; M343-L346 HydrophobicContact CE-CD2 4.33Å; L346-K348 PolarHBondContact O-N 2.84Å; L346-T349 PolarHBondContact O-N 3Å; L346-L350 HydrophobicContact CD1-CD1 4.27Å; L346-L350 HydrophobicContact CD1-CD2 4.48Å; L346-L350 HydrophobicContact CD1-CG 4.08Å; L346-L350 HydrophobicContact CG-CD1 4.36Å; L346-L350 WeakPolarHBondContact O-CG 3.32Å; L346-L350 PolarHBondContact O-N 2.94Å; L346-F367 HydrophobicContact CB-CZ 4.32Å; L346-F367 HydrophobicContact CD2-CE2 4.4Å; L346-F367 HydrophobicContact CD2-CZ 4.2Å; L346-F367 HydrophobicContact CG-CE2 4.05Å; L346-F367 HydrophobicContact CG-CZ 4.15Å |
| 347 | K | 92.5 | Very high | 88.6 | Confident | 87 Ų | 87 | 68.4 Ų | 68.4 | 38% | 0.378 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.7 | -47.7 | 174.2 | 179 | 170.4 | -179.5 | 179.7 | 0 | 112.5 | M343 L345 Q351 F367 | M343-K347 WeakPolarHBondContact O-CB 3.45Å; M343-K347 PolarHBondContact O-N 3.01Å; L345-K347 VanDerWaalsContact C-N 3.3Å; L345-K347 PolarHBondContact O-N 3Å; K347-Q351 WeakPolarHBondContact O-CB 3.36Å; K347-Q351 WeakPolarHBondContact O-CG 3.36Å; K347-Q351 PolarHBondContact O-N 3.02Å; K347-F367 VanDerWaalsContact CA-CE2 3.47Å; K347-F367 HydrophobicContact CB-CD1 3.92Å; K347-F367 HydrophobicContact CB-CD2 3.71Å; K347-F367 HydrophobicContact CB-CE1 3.96Å; K347-F367 HydrophobicContact CB-CE2 3.78Å; K347-F367 HydrophobicContact CB-CG 3.79Å; K347-F367 HydrophobicContact CB-CZ 3.89Å; K347-F367 HydrophobicContact CD-CB 3.85Å; K347-F367 HydrophobicContact CD-CD1 3.9Å; K347-F367 HydrophobicContact CD-CG 3.88Å; K347-F367 HydrophobicContact CG-CB 3.88Å; K347-F367 HydrophobicContact CG-CD1 4.09Å; K347-F367 HydrophobicContact CG-CD2 3.94Å; K347-F367 HydrophobicContact CG-CG 3.71Å |
| 348 | K | 92.4 | Very high | 89.7 | Confident | 121 Ų | 121 | 64 Ų | 64 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 177.3 | -79.2 | 176.4 | 167.5 | 172 | 0 | 112.2 | H344 L345 L346 K352 | H344-K348 PolarHBondContact CE1-NZ 2.86Å; H344-K348 WeakPolarHBondContact NE2-CE 3.43Å; H344-K348 PolarHBondContact NE2-NZ 3.4Å; H344-K348 PolarHBondContact O-N 3.42Å; H344-K348 VanDerWaalsContact O-N 3.07Å; L345-K348 PolarHBondContact O-N 3.18Å; L345-K348 VanDerWaalsContact O-N 3.08Å; L346-K348 PolarHBondContact O-N 2.84Å; K348-K352 VanDerWaalsContact O-CB 3.27Å; K348-K352 WeakPolarHBondContact O-CB 3.27Å; K348-K352 PolarHBondContact O-N 2.92Å |
| 349 | T | 91.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66 | -47.8 | 179.4 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | L221 E222 L225 L345 L346 K352 C353 | L221-T349 HydrophobicContact CB-CG2 4.44Å; L221-T349 HydrophobicContact CG-CG2 4.28Å; E222-T349 HydrophobicContact CB-CG2 4.39Å; E222-T349 HydrophobicContact CG-CG2 3.63Å; L225-T349 HydrophobicContact CD1-CG2 3.77Å; L225-T349 HydrophobicContact CG-CG2 4.38Å; L345-T349 WeakPolarHBondContact O-CB 3.2Å; L345-T349 PolarHBondContact O-N 2.99Å; L345-T349 PolarHBondContact O-OG1 2.9Å; L346-T349 PolarHBondContact O-N 3Å; T349-K352 PolarHBondContact O-N 3.18Å; T349-C353 PolarHBondContact O-N 3.4Å; T349-C353 PolarHBondContact O-SG 3.07Å |
| 350 | L | 92.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -49 | 176 | -67.8 | 179.2 | 0 | 0 | 0 | 111.2 | L225 T323 L326 L346 K352 C353 E354 L359 F367 F371 | L225-L350 HydrophobicContact CD1-CD2 3.77Å; L225-L350 HydrophobicContact CD2-CD2 4.07Å; T323-L350 HydrophobicContact CG2-CD1 4.37Å; L326-L350 HydrophobicContact CD1-CD1 4.27Å; L326-L350 HydrophobicContact CD1-CD2 4.21Å; L346-L350 HydrophobicContact CD1-CD1 4.27Å; L346-L350 HydrophobicContact CD1-CD2 4.48Å; L346-L350 HydrophobicContact CD1-CG 4.08Å; L346-L350 HydrophobicContact CG-CD1 4.36Å; L346-L350 WeakPolarHBondContact O-CG 3.32Å; L346-L350 PolarHBondContact O-N 2.94Å; L350-K352 VanDerWaalsContact C-N 3.25Å; L350-K352 PolarHBondContact O-N 2.78Å; L350-C353 PolarHBondContact O-N 2.9Å; L350-C353 VanDerWaalsContact O-N 3.09Å; L350-E354 WeakPolarHBondContact O-CB 3.21Å; L350-E354 PolarHBondContact O-N 3.4Å; L350-L359 HydrophobicContact CD2-CD2 3.38Å; L350-F367 HydrophobicContact CD1-CD2 4.22Å; L350-F367 HydrophobicContact CD1-CE2 3.94Å; L350-F371 HydrophobicContact CB-CE1 4.46Å; L350-F371 HydrophobicContact CB-CZ 4.48Å; L350-F371 HydrophobicContact CD1-CD2 4.3Å; L350-F371 HydrophobicContact CD1-CE2 4.14Å; L350-F371 HydrophobicContact CD1-CZ 4.46Å |
| 351 | Q | 92.3 | Very high | 90.9 | Very high | 61 Ų | 61 | 56.9 Ų | 56.9 | 29% | 0.285 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.5 | -29.8 | 177 | -72.5 | -176.2 | -19.5 | 0 | 0 | 113.6 | K347 K355 | K347-Q351 WeakPolarHBondContact O-CB 3.36Å; K347-Q351 WeakPolarHBondContact O-CG 3.36Å; K347-Q351 PolarHBondContact O-N 3.02Å; Q351-K355 VanDerWaalsContact O-CB 3.3Å; Q351-K355 WeakPolarHBondContact O-CB 3.44Å; Q351-K355 WeakPolarHBondContact O-CD 3.43Å; Q351-K355 WeakPolarHBondContact O-CG 3.37Å; Q351-K355 PolarHBondContact O-N 3.42Å; Q351-K355 VanDerWaalsContact O-N 3.14Å |
| 352 | K | 91.6 | Very high | 91.2 | Very high | 88 Ų | 88 | 53.9 Ų | 53.9 | 38% | 0.383 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -73.3 | -39.2 | 174.2 | 175.5 | 179.4 | 164.7 | -172.6 | 0 | 111.6 | E222 K348 T349 L350 N356 | E222-K352 WeakPolarHBondContact OE1-CD 3.28Å; E222-K352 WeakPolarHBondContact OE1-CE 3.28Å; E222-K352 IonicContact OE1-NZ 2.68Å; E222-K352 PolarHBondContact OE1-NZ 3.34Å; E222-K352 IonicContact OE2-NZ 3.24Å; E222-K352 PolarHBondContact OE2-NZ 2.98Å; K348-K352 VanDerWaalsContact O-CB 3.27Å; K348-K352 WeakPolarHBondContact O-CB 3.27Å; K348-K352 PolarHBondContact O-N 2.92Å; T349-K352 PolarHBondContact O-N 3.18Å; L350-K352 VanDerWaalsContact C-N 3.25Å; L350-K352 PolarHBondContact O-N 2.78Å; K352-N356 WeakPolarHBondContact O-CB 3.47Å; K352-N356 PolarHBondContact O-N 2.85Å; K352-N356 PolarHBondContact O-ND2 2.88Å; K352-N356 VanDerWaalsContact O-ND2 3.15Å |
| 353 | C | 90.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.3 | -44.2 | 177.4 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | T349 L350 N356 G357 W358 L359 | T349-C353 PolarHBondContact O-N 3.4Å; T349-C353 PolarHBondContact O-SG 3.07Å; L350-C353 PolarHBondContact O-N 2.9Å; L350-C353 VanDerWaalsContact O-N 3.09Å; C353-N356 CarbonylContact O-C 3.56Å; C353-N356 PolarHBondContact O-N 3.2Å; C353-N356 VanDerWaalsContact O-N 3.14Å; C353-G357 PolarHBondContact O-N 3.29Å; C353-G357 VanDerWaalsContact O-N 3.09Å; C353-W358 HydrophobicContact CB-CB 4.18Å; C353-W358 HydrophobicContact CB-CE3 4.34Å; C353-W358 PolarHBondContact O-N 2.64Å; C353-L359 HydrophobicContact CB-CB 4Å; C353-L359 HydrophobicContact CB-CD1 3.93Å; C353-L359 HydrophobicContact CB-CD2 4.28Å; C353-L359 HydrophobicContact CB-CG 4.3Å |
| 354 | E | 91.3 | Very high | 91.3 | Very high | 71 Ų | 71 | 56.5 Ų | 56.5 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -52.9 | -56 | 171.2 | -176.3 | -162.3 | 165.7 | 0 | 0 | 111.1 | L350 N356 G357 L359 | L350-E354 WeakPolarHBondContact O-CB 3.21Å; L350-E354 PolarHBondContact O-N 3.4Å; E354-N356 PolarHBondContact O-N 3.37Å; E354-G357 PolarHBondContact O-N 2.97Å; E354-L359 WeakPolarHBondContact CA-O 3.28Å |
| 355 | K | 90.8 | Very high | 91.1 | Very high | 158 Ų | 158 | 60.9 Ų | 60.9 | 69% | 0.687 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -7.7 | 178.2 | -70.9 | 172.4 | -176.3 | 178 | 0 | 115.2 | Q351 | Q351-K355 VanDerWaalsContact O-CB 3.3Å; Q351-K355 WeakPolarHBondContact O-CB 3.44Å; Q351-K355 WeakPolarHBondContact O-CD 3.43Å; Q351-K355 WeakPolarHBondContact O-CG 3.37Å; Q351-K355 PolarHBondContact O-N 3.42Å; Q351-K355 VanDerWaalsContact O-N 3.14Å |
| 356 | N | 88.5 | Confident | 90.7 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -1.5 | 173.3 | -68.1 | -24.1 | 0 | 0 | 0 | 112.7 | K95 K352 C353 E354 W358 | K95-N356 PolarHBondContact NZ-OD1 2.92Å; K352-N356 WeakPolarHBondContact O-CB 3.47Å; K352-N356 PolarHBondContact O-N 2.85Å; K352-N356 PolarHBondContact O-ND2 2.88Å; K352-N356 VanDerWaalsContact O-ND2 3.15Å; C353-N356 CarbonylContact O-C 3.56Å; C353-N356 PolarHBondContact O-N 3.2Å; C353-N356 VanDerWaalsContact O-N 3.14Å; E354-N356 PolarHBondContact O-N 3.37Å; N356-W358 HydrophobicContact CB-CD2 3.68Å; N356-W358 VanDerWaalsContact CB-CE2 3.44Å; N356-W358 HydrophobicContact CB-CE3 4.25Å; N356-W358 HydrophobicContact CB-CG 4Å; N356-W358 HydrophobicContact CB-CH2 4.36Å; N356-W358 HydrophobicContact CB-CZ2 3.8Å; N356-W358 WeakPolarHBondContact ND2-CH2 3.37Å; N356-W358 VanDerWaalsContact ND2-CZ2 3.34Å; N356-W358 WeakPolarHBondContact ND2-CZ2 3.35Å; N356-W358 VanDerWaalsContact O-CD1 3.3Å; N356-W358 PolarHBondContact O-NE1 2.69Å |
| 357 | G | 89.1 | Confident | 90.5 | Very high | 41 Ų | 41 | 61.2 Ų | 61.2 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 27.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | C353 E354 S374 F375 | C353-G357 PolarHBondContact O-N 3.29Å; C353-G357 VanDerWaalsContact O-N 3.09Å; E354-G357 PolarHBondContact O-N 2.97Å; G357-S374 WeakPolarHBondContact O-CB 3.09Å; G357-F375 VanDerWaalsContact O-CE2 3.31Å; G357-F375 WeakPolarHBondContact O-CE2 3.24Å |
| 358 | W | 90.3 | Very high | 90.3 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 5% | 0.049 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -94.5 | -30.3 | 178.6 | -54.8 | -17.4 | 0 | 0 | 0 | 112.5 | I97 P98 W100 A101 C353 N356 S374 | I97-W358 HydrophobicContact CB-CZ2 4.41Å; I97-W358 HydrophobicContact CG1-CZ2 4.37Å; I97-W358 HydrophobicContact CG2-CZ2 4.4Å; P98-W358 VanDerWaalsContact CD-CZ2 3.46Å; P98-W358 HydrophobicContact CG-CD2 4.37Å; P98-W358 HydrophobicContact CG-CE3 4.01Å; P98-W358 HydrophobicContact CG-CH2 4.2Å; P98-W358 HydrophobicContact CG-CZ3 3.92Å; W100-W358 HydrophobicContact CH2-CB 3.85Å; W100-W358 HydrophobicContact CZ3-CB 4.14Å; A101-W358 HydrophobicContact CB-CB 3.82Å; A101-W358 HydrophobicContact CB-CD2 3.84Å; A101-W358 HydrophobicContact CB-CG 3.47Å; A101-W358 VanDerWaalsContact CB-CG 3.47Å; C353-W358 HydrophobicContact CB-CB 4.18Å; C353-W358 HydrophobicContact CB-CE3 4.34Å; C353-W358 PolarHBondContact O-N 2.64Å; N356-W358 HydrophobicContact CB-CD2 3.68Å; N356-W358 VanDerWaalsContact CB-CE2 3.44Å; N356-W358 HydrophobicContact CB-CE3 4.25Å; N356-W358 HydrophobicContact CB-CG 4Å; N356-W358 HydrophobicContact CB-CH2 4.36Å; N356-W358 HydrophobicContact CB-CZ2 3.8Å; N356-W358 WeakPolarHBondContact ND2-CH2 3.37Å; N356-W358 VanDerWaalsContact ND2-CZ2 3.34Å; N356-W358 WeakPolarHBondContact ND2-CZ2 3.35Å; N356-W358 VanDerWaalsContact O-CD1 3.3Å; N356-W358 PolarHBondContact O-NE1 2.69Å; W358-S374 PolarHBondContact O-N 3.34Å; W358-S374 PolarHBondContact O-OG 2.93Å |
| 359 | L | 92.4 | Very high | 90.2 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 153.5 | 171.1 | -96.9 | 66.6 | 0 | 0 | 0 | 108.6 | W100 L225 F229 L350 C353 E354 F371 Q372 L373 S374 | W100-L359 HydrophobicContact CH2-CD1 3.68Å; W100-L359 HydrophobicContact CZ3-CD1 4.17Å; L225-L359 HydrophobicContact CD1-CD1 4.5Å; L225-L359 HydrophobicContact CD1-CD2 4.17Å; F229-L359 HydrophobicContact CE2-CD1 4.42Å; F229-L359 HydrophobicContact CE2-CD2 3.76Å; F229-L359 HydrophobicContact CE2-CG 4.24Å; F229-L359 HydrophobicContact CZ-CD2 3.74Å; F229-L359 HydrophobicContact CZ-CG 4.21Å; L350-L359 HydrophobicContact CD2-CD2 3.38Å; C353-L359 HydrophobicContact CB-CB 4Å; C353-L359 HydrophobicContact CB-CD1 3.93Å; C353-L359 HydrophobicContact CB-CD2 4.28Å; C353-L359 HydrophobicContact CB-CG 4.3Å; E354-L359 WeakPolarHBondContact CA-O 3.28Å; L359-F371 HydrophobicContact CB-CD1 4.47Å; L359-F371 HydrophobicContact CD2-CB 4.28Å; L359-F371 HydrophobicContact CD2-CD1 4.18Å; L359-F371 HydrophobicContact CD2-CG 4.48Å; L359-Q372 CarbonylContact C-O 3.59Å; L359-Q372 VanDerWaalsContact CA-O 3.27Å; L359-Q372 WeakPolarHBondContact CA-O 3.31Å; L359-L373 HydrophobicContact CD1-CD2 3.64Å; L359-L373 HydrophobicContact CG-CD2 4.31Å; L359-S374 VanDerWaalsContact C-OG 3.27Å |
| 360 | E | 92.1 | Very high | 90.3 | Very high | 103 Ų | 103 | 56.8 Ų | 56.8 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138 | 173.7 | -170.3 | 170 | -171.9 | 0 | 0 | 109.5 | I362 F371 Q372 S374 | E360-I362 HydrophobicContact CB-CD1 4.34Å; E360-I362 HydrophobicContact CG-CD1 3.95Å; E360-F371 CarbonylContact O-C 3.57Å; E360-F371 WeakPolarHBondContact O-CA 3.47Å; E360-Q372 PolarHBondContact N-O 2.99Å; E360-Q372 PolarHBondContact O-N 3.15Å; E360-S374 PolarHBondContact N-OG 3.37Å |
| 361 | Q | 93.7 | Very high | 90.4 | Very high | 45 Ų | 45 | 56.8 Ų | 56.8 | 21% | 0.21 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 106.9 | 172.7 | 178.4 | 157.3 | 49.9 | 0 | 0 | 108.5 | S363 G366 S368 F371 | Q361-S363 WeakPolarHBondContact CG-O 3.36Å; Q361-S363 PolarHBondContact NE2-O 3.13Å; Q361-G366 PolarHBondContact NE2-O 2.91Å; Q361-S368 PolarHBondContact NE2-O 2.91Å; Q361-F371 HydrophobicContact CB-CD1 4.12Å; Q361-F371 HydrophobicContact CB-CE1 3.76Å; Q361-F371 HydrophobicContact CB-CZ 4.15Å; Q361-F371 HydrophobicContact CG-CE1 4.27Å; Q361-F371 HydrophobicContact CG-CZ 4.15Å |
| 362 | I | 93.4 | Very high | 90.5 | Very high | 85 Ų | 85 | 56 Ų | 56 | 44% | 0.436 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -32.1 | -177.5 | -55.5 | -60.4 | 0 | 0 | 0 | 111.1 | E360 T370 Q372 | E360-I362 HydrophobicContact CB-CD1 4.34Å; E360-I362 HydrophobicContact CG-CD1 3.95Å; I362-T370 PolarHBondContact N-O 2.72Å; I362-Q372 HydrophobicContact CD1-CB 3.91Å; I362-Q372 HydrophobicContact CG1-CB 3.62Å |
| 363 | S | 92.4 | Very high | 90.5 | Very high | 71 Ų | 71 | 52.4 Ų | 52.4 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 162.6 | 177.1 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | Q361 G369 T370 | Q361-S363 WeakPolarHBondContact CG-O 3.36Å; Q361-S363 PolarHBondContact NE2-O 3.13Å; S363-G369 CarbonylContact O-C 2.89Å; S363-G369 WeakPolarHBondContact O-CA 3.44Å; S363-T370 WeakPolarHBondContact CB-OG1 3.45Å; S363-T370 PolarHBondContact N-O 2.77Å; S363-T370 PolarHBondContact N-OG1 3.08Å; S363-T370 PolarHBondContact O-N 3.47Å |
| 364 | G | 87.2 | Confident | 90.5 | Very high | 41 Ų | 41 | 54.7 Ų | 54.7 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 85 | -173.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 365 | K | 85.4 | Confident | 90.3 | Very high | 187 Ų | 187 | 53 Ų | 53 | 81% | 0.813 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -140.9 | 111.9 | 180 | -166.6 | 67 | 173.2 | -177.1 | 0 | 110.5 | F367 S368 | K365-F367 PolarHBondContact O-N 2.95Å; K365-S368 PolarHBondContact N-OG 2.84Å; K365-S368 PolarHBondContact O-OG 3.06Å |
| 366 | G | 83.1 | Confident | 90.2 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 25% | 0.247 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 72.3 | -124.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q361 S368 | Q361-G366 PolarHBondContact NE2-O 2.91Å; G366-S368 PolarHBondContact O-N 3.04Å |
| 367 | F | 86.1 | Confident | 90.3 | Very high | 42 Ų | 42 | 47.8 Ų | 47.8 | 18% | 0.184 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -88.8 | 47.2 | -171.8 | -166.6 | -129 | 0 | 0 | 0 | 114 | K327 M343 L346 K347 L350 K365 | K327-F367 VanDerWaalsContact CE-CE1 3.46Å; K327-F367 HydrophobicContact CG-CZ 4.39Å; M343-F367 WeakPolarHBondContact O-CZ 3.49Å; L346-F367 HydrophobicContact CB-CZ 4.32Å; L346-F367 HydrophobicContact CD2-CE2 4.4Å; L346-F367 HydrophobicContact CD2-CZ 4.2Å; L346-F367 HydrophobicContact CG-CE2 4.05Å; L346-F367 HydrophobicContact CG-CZ 4.15Å; K347-F367 VanDerWaalsContact CA-CE2 3.47Å; K347-F367 HydrophobicContact CB-CD1 3.92Å; K347-F367 HydrophobicContact CB-CD2 3.71Å; K347-F367 HydrophobicContact CB-CE1 3.96Å; K347-F367 HydrophobicContact CB-CE2 3.78Å; K347-F367 HydrophobicContact CB-CG 3.79Å; K347-F367 HydrophobicContact CB-CZ 3.89Å; K347-F367 HydrophobicContact CD-CB 3.85Å; K347-F367 HydrophobicContact CD-CD1 3.9Å; K347-F367 HydrophobicContact CD-CG 3.88Å; K347-F367 HydrophobicContact CG-CB 3.88Å; K347-F367 HydrophobicContact CG-CD1 4.09Å; K347-F367 HydrophobicContact CG-CD2 3.94Å; K347-F367 HydrophobicContact CG-CG 3.71Å; L350-F367 HydrophobicContact CD1-CD2 4.22Å; L350-F367 HydrophobicContact CD1-CE2 3.94Å; K365-F367 PolarHBondContact O-N 2.95Å |
| 368 | S | 88.8 | Confident | 90.4 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -146.4 | 173.2 | -178.5 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | Q361 K365 G366 | Q361-S368 PolarHBondContact NE2-O 2.91Å; K365-S368 PolarHBondContact N-OG 2.84Å; K365-S368 PolarHBondContact O-OG 3.06Å; G366-S368 PolarHBondContact O-N 3.04Å |
| 369 | G | 91.1 | Very high | 90.5 | Very high | 27 Ų | 27 | 49.2 Ų | 49.2 | 28% | 0.278 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 70.2 | -144.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T323 S363 | T323-G369 WeakPolarHBondContact CG2-O 3.41Å; T323-G369 PolarHBondContact N-O 3.33Å; T323-G369 PolarHBondContact OG1-N 3.35Å; T323-G369 PolarHBondContact OG1-O 3.19Å; S363-G369 CarbonylContact O-C 2.89Å; S363-G369 WeakPolarHBondContact O-CA 3.44Å |
| 370 | T | 93.9 | Very high | 90.3 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 28% | 0.276 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145.7 | -171.4 | 53.8 | 0 | 0 | 0 | 0 | 112.2 | C321 I362 S363 | C321-T370 WeakPolarHBondContact O-CA 3.35Å; I362-T370 PolarHBondContact N-O 2.72Å; S363-T370 WeakPolarHBondContact CB-OG1 3.45Å; S363-T370 PolarHBondContact N-O 2.77Å; S363-T370 PolarHBondContact N-OG1 3.08Å; S363-T370 PolarHBondContact O-N 3.47Å |
| 371 | F | 94.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 161.7 | 175.2 | -73.9 | -97.9 | 0 | 0 | 0 | 110 | F229 T320 C321 T323 L350 L359 E360 Q361 | F229-F371 HydrophobicContact CE1-CB 3.99Å; F229-F371 WeakPolarHBondContact CE1-O 3.37Å; F229-F371 HydrophobicContact CZ-CB 3.73Å; T320-F371 CarbonylContact C-O 3.49Å; T320-F371 VanDerWaalsContact CA-O 3.28Å; T320-F371 WeakPolarHBondContact CA-O 3.32Å; C321-F371 PolarHBondContact N-O 3.36Å; C321-F371 PolarHBondContact O-N 2.92Å; T323-F371 HydrophobicContact CG2-CD2 3.7Å; T323-F371 HydrophobicContact CG2-CE2 3.49Å; T323-F371 VanDerWaalsContact CG2-CE2 3.49Å; L350-F371 HydrophobicContact CB-CE1 4.46Å; L350-F371 HydrophobicContact CB-CZ 4.48Å; L350-F371 HydrophobicContact CD1-CD2 4.3Å; L350-F371 HydrophobicContact CD1-CE2 4.14Å; L350-F371 HydrophobicContact CD1-CZ 4.46Å; L359-F371 HydrophobicContact CB-CD1 4.47Å; L359-F371 HydrophobicContact CD2-CB 4.28Å; L359-F371 HydrophobicContact CD2-CD1 4.18Å; L359-F371 HydrophobicContact CD2-CG 4.48Å; E360-F371 CarbonylContact O-C 3.57Å; E360-F371 WeakPolarHBondContact O-CA 3.47Å; Q361-F371 HydrophobicContact CB-CD1 4.12Å; Q361-F371 HydrophobicContact CB-CE1 3.76Å; Q361-F371 HydrophobicContact CB-CZ 4.15Å; Q361-F371 HydrophobicContact CG-CE1 4.27Å; Q361-F371 HydrophobicContact CG-CZ 4.15Å |
| 372 | Q | 93.6 | Very high | 89.8 | Confident | 44 Ų | 44 | 47.1 Ų | 47.1 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 145.8 | 175.7 | -178.3 | 173.3 | -67.2 | 0 | 0 | 110 | P318 K319 T320 L359 E360 I362 S374 | P318-Q372 HydrophobicContact CB-CG 4.33Å; K319-Q372 WeakPolarHBondContact O-CA 3.49Å; T320-Q372 HydrophobicContact CG2-CB 4.19Å; T320-Q372 HydrophobicContact CG2-CG 4.1Å; L359-Q372 CarbonylContact C-O 3.59Å; L359-Q372 VanDerWaalsContact CA-O 3.27Å; L359-Q372 WeakPolarHBondContact CA-O 3.31Å; E360-Q372 PolarHBondContact N-O 2.99Å; E360-Q372 PolarHBondContact O-N 3.15Å; I362-Q372 HydrophobicContact CD1-CB 3.91Å; I362-Q372 HydrophobicContact CG1-CB 3.62Å; Q372-S374 PolarHBondContact O-N 3.14Å |
| 373 | L | 92.4 | Very high | 89.5 | Confident | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.3 | 168.4 | -62.3 | -176.5 | 0 | 0 | 0 | 110.2 | W100 P226 F229 K319 L359 F375 | W100-L373 HydrophobicContact CZ3-CD2 4.19Å; P226-L373 HydrophobicContact CB-CD1 4.18Å; F229-L373 HydrophobicContact CB-CD1 3.9Å; F229-L373 HydrophobicContact CB-CD2 4.21Å; F229-L373 HydrophobicContact CB-CG 3.92Å; F229-L373 HydrophobicContact CD1-CD2 4.43Å; F229-L373 HydrophobicContact CD1-CG 4.27Å; F229-L373 HydrophobicContact CD2-CD2 3.54Å; F229-L373 HydrophobicContact CD2-CG 4.12Å; F229-L373 HydrophobicContact CE2-CD2 3.99Å; F229-L373 HydrophobicContact CG-CD1 4.37Å; F229-L373 HydrophobicContact CG-CD2 3.82Å; F229-L373 HydrophobicContact CG-CG 3.85Å; K319-L373 HydrophobicContact CB-CB 4.41Å; K319-L373 HydrophobicContact CB-CD1 3.99Å; K319-L373 HydrophobicContact CB-CG 4.17Å; K319-L373 HydrophobicContact CD-CD1 3.94Å; K319-L373 PolarHBondContact O-N 3.24Å; K319-L373 VanDerWaalsContact O-N 3.09Å; L359-L373 HydrophobicContact CD1-CD2 3.64Å; L359-L373 HydrophobicContact CG-CD2 4.31Å; L373-F375 PolarHBondContact O-N 3.35Å |
| 374 | S | 89.9 | Confident | 89.2 | Confident | 48 Ų | 48 | 42.8 Ų | 42.8 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -76.5 | -8.5 | 176.9 | -49.6 | 0 | 0 | 0 | 0 | 113.2 | G357 W358 L359 E360 Q372 | G357-S374 WeakPolarHBondContact O-CB 3.09Å; W358-S374 PolarHBondContact O-N 3.34Å; W358-S374 PolarHBondContact O-OG 2.93Å; L359-S374 VanDerWaalsContact C-OG 3.27Å; E360-S374 PolarHBondContact N-OG 3.37Å; Q372-S374 PolarHBondContact O-N 3.14Å |
| 375 | F | 88.6 | Confident | 88.9 | Confident | 36 Ų | 36 | 43.4 Ų | 43.4 | 16% | 0.158 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -125.9 | 134.1 | -178.8 | -67.6 | -81.5 | 0 | 0 | 0 | 111.6 | A101 L103 G357 L373 Y377 | A101-F375 HydrophobicContact CB-CD2 4.03Å; A101-F375 HydrophobicContact CB-CE2 4.28Å; A101-F375 WeakPolarHBondContact O-CE2 3.4Å; A101-F375 WeakPolarHBondContact O-CZ 3.48Å; L103-F375 HydrophobicContact CD2-CD1 4.15Å; L103-F375 HydrophobicContact CD2-CE1 3.8Å; L103-F375 HydrophobicContact CG-CE1 3.96Å; G357-F375 VanDerWaalsContact O-CE2 3.31Å; G357-F375 WeakPolarHBondContact O-CE2 3.24Å; L373-F375 PolarHBondContact O-N 3.35Å; F375-Y377 PolarHBondContact O-N 2.92Å |
| 376 | P | 89 | Confident | 88.7 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 28% | 0.279 | 24% | 0.236 | S | C | . | . | trans | -54.3 | 121.2 | 169.7 | -31.2 | 38.9 | 0 | 0 | 0 | 112.8 | E317 Y378 | E317-P376 WeakPolarHBondContact OE1-CB 3.19Å; P376-Y378 HydrophobicContact CB-CE1 4.4Å; P376-Y378 HydrophobicContact CB-CE2 4.24Å | ||
| 377 | Y | 90.1 | Very high | 88 | Confident | 44 Ų | 44 | 46.6 Ų | 46.6 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | trans | -123.3 | 122.2 | 177.1 | -179.8 | -105.5 | 0 | 0 | 0 | 109.9 | W100 P226 T230 K319 F375 P379 | W100-Y377 HydrophobicContact CB-CD2 3.76Å; W100-Y377 HydrophobicContact CB-CE2 3.99Å; P226-Y377 HydrophobicContact CB-CD1 3.53Å; P226-Y377 HydrophobicContact CB-CD2 3.85Å; P226-Y377 HydrophobicContact CB-CE1 3.66Å; P226-Y377 HydrophobicContact CB-CE2 3.96Å; P226-Y377 HydrophobicContact CB-CG 3.63Å; T230-Y377 WeakPolarHBondContact OG1-CD1 3.34Å; K319-Y377 WeakPolarHBondContact CE-O 3.24Å; K319-Y377 PolarHBondContact NZ-O 2.86Å; F375-Y377 PolarHBondContact O-N 2.92Å; Y377-P379 HydrophobicContact CD1-CG 4.31Å; Y377-P379 HydrophobicContact CE1-CB 3.81Å; Y377-P379 HydrophobicContact CE1-CG 3.78Å | ||
| 378 | Y | 90.9 | Very high | 86.4 | Confident | 80 Ų | 80 | 54.1 Ų | 54.1 | 31% | 0.314 | 30% | 0.297 | S | S | . | . | trans | -127 | 89.8 | -178.4 | -49.5 | -46.7 | 0 | 0 | 0 | 109 | M315 E317 P376 | M315-Y378 HydrophobicContact CE-CD1 3.63Å; M315-Y378 HydrophobicContact CE-CD2 4.06Å; M315-Y378 HydrophobicContact CE-CE1 3.52Å; M315-Y378 HydrophobicContact CE-CE2 3.94Å; M315-Y378 HydrophobicContact CE-CG 3.92Å; M315-Y378 HydrophobicContact SD-CD1 3.48Å; M315-Y378 WeakPolarHBondContact SD-CD1 3.35Å; M315-Y378 HydrophobicContact SD-CD2 4.25Å; M315-Y378 HydrophobicContact SD-CE1 4.01Å; M315-Y378 HydrophobicContact SD-CG 3.63Å; E317-Y378 HydrophobicContact CG-CE1 4.37Å; E317-Y378 WeakPolarHBondContact OE1-CE1 3.35Å; E317-Y378 PolarHBondContact OE1-OH 3.42Å; P376-Y378 HydrophobicContact CB-CE1 4.4Å; P376-Y378 HydrophobicContact CB-CE2 4.24Å | ||
| 379 | P | 91.2 | Very high | 83.9 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.032 | 32% | 0.323 | C | S | . | . | trans | -70.4 | 146.4 | -179.8 | 27.2 | -31.9 | 0 | 0 | 0 | 111.5 | T230 Y246 A314 Y377 V383 L384 | T230-P379 HydrophobicContact CG2-CG 3.91Å; Y246-P379 VanDerWaalsContact CE2-O 3.24Å; Y246-P379 WeakPolarHBondContact CE2-O 3.4Å; Y246-P379 PolarHBondContact OH-O 3.13Å; A314-P379 HydrophobicContact CB-CG 4.33Å; Y377-P379 HydrophobicContact CD1-CG 4.31Å; Y377-P379 HydrophobicContact CE1-CB 3.81Å; Y377-P379 HydrophobicContact CE1-CG 3.78Å; P379-V383 HydrophobicContact CB-CB 4.19Å; P379-V383 HydrophobicContact CB-CG1 3.99Å; P379-L384 HydrophobicContact CB-CB 4.42Å; P379-L384 HydrophobicContact CG-CB 4.23Å; P379-L384 HydrophobicContact CG-CD1 4.16Å | ||
| 380 | S | 90.1 | Very high | 81.3 | Confident | 39 Ų | 39 | 64.7 Ų | 64.7 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | trans | -68.1 | 159.9 | 171.8 | 61.2 | 0 | 0 | 0 | 0 | 111.5 | G382 V383 L384 | S380-G382 VanDerWaalsContact C-N 3.27Å; S380-G382 PolarHBondContact O-N 2.83Å; S380-V383 PolarHBondContact O-N 2.81Å; S380-L384 PolarHBondContact O-N 3.39Å | ||
| 381 | P | 88.6 | Confident | 78.4 | Confident | 20 Ų | 20 | 66.3 Ų | 66.3 | 13% | 0.13 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.4 | -37 | -177.6 | -29.1 | 36.2 | 0 | 0 | 0 | 114 | Y246 Y250 Y251 V383 L384 F385 | Y246-P381 HydrophobicContact CE1-CG 3.97Å; Y246-P381 VanDerWaalsContact OH-CD 3.3Å; Y246-P381 WeakPolarHBondContact OH-CD 3.06Å; Y250-P381 HydrophobicContact CG-CG 4.15Å; Y251-P381 HydrophobicContact CD2-CG 4.46Å; Y251-P381 HydrophobicContact CE2-CB 4.38Å; Y251-P381 HydrophobicContact CE2-CG 3.52Å; Y251-P381 WeakPolarHBondContact OH-CB 3.25Å; Y251-P381 WeakPolarHBondContact OH-CG 3.48Å; P381-V383 VanDerWaalsContact C-N 3.35Å; P381-V383 PolarHBondContact O-N 3.07Å; P381-L384 CarbonylContact O-C 3.54Å; P381-L384 PolarHBondContact O-N 3.13Å; P381-F385 CarbonylContact O-C 3.51Å; P381-F385 WeakPolarHBondContact O-CA 3.49Å; P381-F385 PolarHBondContact O-N 3.08Å |
| 382 | G | 85.6 | Confident | 75.6 | Confident | 49 Ų | 49 | 69.8 Ų | 69.8 | 51% | 0.505 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.1 | -23.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S380 F385 P386 | S380-G382 VanDerWaalsContact C-N 3.27Å; S380-G382 PolarHBondContact O-N 2.83Å; G382-F385 CarbonylContact O-C 3.32Å; G382-P386 VanDerWaalsContact O-CA 3.25Å; G382-P386 WeakPolarHBondContact O-CA 3.21Å; G382-P386 VanDerWaalsContact O-N 3.16Å |
| 383 | V | 87.8 | Confident | 72.6 | Confident | 63 Ų | 63 | 72.3 Ų | 72.3 | 38% | 0.382 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -83.6 | -35.8 | 172 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | L227 P379 S380 P381 | L227-V383 HydrophobicContact CD1-CG1 4.32Å; L227-V383 HydrophobicContact CD2-CG1 4.27Å; P379-V383 HydrophobicContact CB-CB 4.19Å; P379-V383 HydrophobicContact CB-CG1 3.99Å; S380-V383 PolarHBondContact O-N 2.81Å; P381-V383 VanDerWaalsContact C-N 3.35Å; P381-V383 PolarHBondContact O-N 3.07Å |
| 384 | L | 85 | Confident | 70.1 | Confident | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.005 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -78.1 | -24.8 | 178.1 | -171.5 | 60.2 | 0 | 0 | 0 | 112.8 | L227 T230 R231 S310 A313 A314 P379 S380 P381 | L227-L384 HydrophobicContact CD1-CD1 4.21Å; T230-L384 HydrophobicContact CG2-CD1 3.79Å; R231-L384 PolarHBondContact NH1-O 2.8Å; R231-L384 PolarHBondContact NH2-O 3.46Å; S310-L384 WeakPolarHBondContact O-CD2 3.32Å; A313-L384 HydrophobicContact CB-CD2 3.9Å; A314-L384 HydrophobicContact CB-CD2 3.89Å; P379-L384 HydrophobicContact CB-CB 4.42Å; P379-L384 HydrophobicContact CG-CB 4.23Å; P379-L384 HydrophobicContact CG-CD1 4.16Å; S380-L384 PolarHBondContact O-N 3.39Å; P381-L384 CarbonylContact O-C 3.54Å; P381-L384 PolarHBondContact O-N 3.13Å |
| 385 | F | 82.6 | Confident | 67.2 | Low | 55 Ų | 55 | 84 Ų | 84 | 24% | 0.241 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -145.6 | 79 | 175.7 | -62.7 | -73.9 | 0 | 0 | 0 | 107.9 | R231 Y306 L309 P381 G382 K387 | R231-F385 VanDerWaalsContact NH1-CE1 3.25Å; Y306-F385 HydrophobicContact CE2-CD2 4.33Å; Y306-F385 HydrophobicContact CE2-CG 4.44Å; Y306-F385 WeakPolarHBondContact OH-CB 3.5Å; L309-F385 HydrophobicContact CD2-CE1 4.25Å; L309-F385 HydrophobicContact CD2-CE2 3.47Å; L309-F385 VanDerWaalsContact CD2-CE2 3.47Å; L309-F385 HydrophobicContact CD2-CZ 3.3Å; P381-F385 CarbonylContact O-C 3.51Å; P381-F385 WeakPolarHBondContact O-CA 3.49Å; P381-F385 PolarHBondContact O-N 3.08Å; G382-F385 CarbonylContact O-C 3.32Å; F385-K387 PolarHBondContact O-N 3Å |
| 386 | P | 79.4 | Confident | 64.9 | Low | 85 Ų | 85 | 90.9 Ų | 90.9 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | trans | -57.1 | 129.7 | 168 | 25.1 | -33.4 | 0 | 0 | 0 | 108 | G382 K388 | G382-P386 VanDerWaalsContact O-CA 3.25Å; G382-P386 WeakPolarHBondContact O-CA 3.21Å; G382-P386 VanDerWaalsContact O-N 3.16Å; P386-K388 PolarHBondContact O-N 2.73Å | ||
| 387 | K | 69.4 | Low | 62.4 | Low | 193 Ų | 193 | 96.3 Ų | 96.3 | 84% | 0.839 | 55% | 0.549 | S | S | * | . | trans | -55.4 | 124.3 | 165.2 | -73.9 | -172.8 | 173.2 | -170.1 | 0 | 106.3 | F385 E389 | F385-K387 PolarHBondContact O-N 3Å; K387-E389 PolarHBondContact O-N 3.24Å | ||
| 388 | K | 52.6 | Low | 59.8 | Low | 200 Ų | 200 | 103.1 Ų | 103.1 | 87% | 0.87 | 58% | 0.583 | S | S | * | * | trans | -70.2 | 111.8 | 163.9 | -87.1 | -168.7 | 171.8 | -171.6 | 0 | 106.4 | P386 S390 | P386-K388 PolarHBondContact O-N 2.73Å; K388-S390 PolarHBondContact O-N 3.28Å | ||
| 389 | E | 36.6 | Very low | 57.4 | Low | 183 Ų | 183 | 107.1 Ų | 107.1 | 86% | 0.855 | 61% | 0.609 | S | S | * | * | trans | -71.4 | 83.3 | 165.6 | -72.4 | 168.2 | -153.1 | 0 | 0 | 108.2 | K387 G391 | K387-E389 PolarHBondContact O-N 3.24Å; E389-G391 VanDerWaalsContact C-N 3.32Å; E389-G391 PolarHBondContact O-N 3.39Å | ||
| 390 | S | 35.5 | Very low | 54.7 | Low | 112 Ų | 112 | 114.5 Ų | 114.5 | 78% | 0.783 | 65% | 0.648 | S | S | * | * | trans | -62.4 | 102.8 | 145.9 | 46.3 | 0 | 0 | 0 | 0 | 105.9 | K388 | K388-S390 PolarHBondContact O-N 3.28Š| ||
| 391 | G | 34.3 | Very low | 52.3 | Low | 78 Ų | 78 | 120.2 Ų | 120.2 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -64.9 | 147.1 | -169 | 0 | 0 | 0 | 0 | 0 | 113.2 | E389 | E389-G391 VanDerWaalsContact C-N 3.32Å; E389-G391 PolarHBondContact O-N 3.39Å |
| 392 | G | 35.7 | Very low | 49.7 | Very low | 76 Ų | 76 | 126.3 Ų | 126.3 | 78% | 0.784 | 71% | 0.707 | S | S | * | * | trans | 112.4 | 62.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 393 | S | 28.8 | Very low | 47.1 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | -178.3 | 121.2 | 125.6 | -103.9 | 0 | 0 | 0 | 0 | 110.1 | D395 | S393-D395 WeakPolarHBondContact CB-OD2 3.22Å; S393-D395 PolarHBondContact OG-OD2 3.49Å | |||
| 394 | D | 40 | Very low | 44.7 | Very low | 172 Ų | 172 | 137 Ų | 137 | 92% | 0.92 | 75% | 0.745 | S | S | * | * | trans | -86.8 | 110.2 | 144.1 | -84.3 | -48.6 | 0 | 0 | 0 | 104.7 | ||||
| 395 | D | 30.3 | Very low | 42 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | trans | -133.7 | 131.8 | 166.1 | -74.7 | -69 | 0 | 0 | 0 | 107.4 | S393 | S393-D395 WeakPolarHBondContact CB-OD2 3.22Å; S393-D395 PolarHBondContact OG-OD2 3.49Å | ||
| 396 | E | 39.2 | Very low | 39.8 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -96.5 | 150.8 | 177.6 | -60.2 | -176.6 | 122.5 | 0 | 0 | 109 | ||||
| 397 | D | 38.1 | Very low | 37.5 | Very low | 157 Ų | 157 | 150 Ų | 150 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | trans | 63.3 | 167.2 | 172.7 | -53.6 | -29 | 0 | 0 | 0 | 113.5 | ||||
| 398 | E | 34.2 | Very low | 35.7 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | cis | -125.2 | 168.1 | 23.4 | -64.9 | 174.9 | 117.6 | 0 | 0 | 113.6 | ||||
| 399 | D | 41.1 | Very low | 34.9 | Very low | 164 Ų | 164 | 143 Ų | 143 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -78.5 | 145.8 | 162.3 | -72.6 | -61.9 | 0 | 0 | 0 | 109.2 | ||||
| 400 | D | 34.4 | Very low | 34.7 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -136.2 | 90 | 177.4 | -150.2 | 2 | 0 | 0 | 0 | 109.2 | ||||
| 401 | D | 39.8 | Very low | 34.5 | Very low | 160 Ų | 160 | 145 Ų | 145 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -103.7 | 99.6 | 168.4 | -93.5 | -39.1 | 0 | 0 | 0 | 107.4 | ||||
| 402 | D | 32.8 | Very low | 34.5 | Very low | 147 Ų | 147 | 150 Ų | 150 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -155.6 | 116.6 | 154.5 | -97 | -33.8 | 0 | 0 | 0 | 106.1 | ||||
| 403 | D | 31.5 | Very low | 34.5 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | 90.8 | 153.2 | 54.6 | -149 | -1.5 | 0 | 0 | 0 | 112.3 | |||||
| 404 | E | 37.1 | Very low | 35.4 | Very low | 186 Ų | 186 | 154.1 Ų | 154.1 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -78.6 | 139.6 | -162.9 | -64.6 | -171.9 | 151.3 | 0 | 0 | 113.8 | ||||
| 405 | S | 29.9 | Very low | 36 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -149.2 | 136.9 | 150.8 | -166.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 406 | S | 36.4 | Very low | 37.4 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -144.5 | 108.2 | -178.2 | 162.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 407 | E | 29.4 | Very low | 37.1 | Very low | 183 Ų | 183 | 149.6 Ų | 149.6 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -159.4 | 133.4 | 160.3 | -99.8 | 146.4 | -149.6 | 0 | 0 | 105.4 | ||||
| 408 | D | 31.7 | Very low | 37 | Very low | 155 Ų | 155 | 153 Ų | 153 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | 74.1 | 141.8 | 58.1 | -150.9 | 75.3 | 0 | 0 | 0 | 111.7 | |||||
| 409 | S | 36.5 | Very low | 36.7 | Very low | 89 Ų | 89 | 148.8 Ų | 148.8 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | cis | -175.8 | 132.4 | -27.9 | 174.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 410 | E | 32.5 | Very low | 36.5 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | -149 | 151.9 | 170.1 | -63.7 | -173.1 | 145.5 | 0 | 0 | 108.6 | ||||
| 411 | D | 32.1 | Very low | 36.7 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | cis | -115.3 | -141.5 | 3.1 | -151.9 | 176.5 | 0 | 0 | 0 | 110 | ||||
| 412 | E | 33.5 | Very low | 36.4 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | cis | -143.6 | 164.5 | 7.9 | -156.2 | -172.4 | 144.1 | 0 | 0 | 110.6 | ||||
| 413 | E | 35.8 | Very low | 36.6 | Very low | 153 Ų | 153 | 149.4 Ų | 149.4 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | trans | -89.4 | -174.5 | -172.5 | -119.9 | -145.6 | 150.5 | 0 | 0 | 113.5 | ||||
| 414 | P | 47.9 | Very low | 36.8 | Very low | 107 Ų | 107 | 148 Ų | 148 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | cis | -133.9 | -147.8 | 7.2 | 51.5 | -32.8 | 0 | 0 | 0 | 112.8 | ||||
| 415 | P | 52.9 | Low | 37.6 | Very low | 99 Ų | 99 | 144.5 Ų | 144.5 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | -139.1 | -139.9 | -127.9 | 38.3 | -10.2 | 0 | 0 | 0 | 113.9 | |||||
| 416 | P | 57.7 | Low | 37.9 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | -120.2 | 173.7 | -59.5 | 29.7 | -13.6 | 0 | 0 | 0 | 113.7 | |||||
| 417 | K | 34.7 | Very low | 37.8 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | trans | -173.9 | 123.2 | 131.4 | -101.2 | 145.8 | -167.7 | 164.8 | 0 | 116.1 | ||||
| 418 | R | 34.4 | Very low | 38.4 | Very low | 230 Ų | 230 | 144 Ų | 144 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | trans | 44.1 | 125.2 | 140.1 | -61.2 | 168.3 | 59.7 | 134.3 | -3.2 | 120 | ||||
| 419 | S | 28.8 | Very low | 38.7 | Very low | 97 Ų | 97 | 145.6 Ų | 145.6 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | 165.4 | 131.1 | 95.5 | -167.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 420 | L | 37.4 | Very low | 38.5 | Very low | 135 Ų | 135 | 145 Ų | 145 | 71% | 0.707 | 77% | 0.768 | S | S | * | * | trans | 38.3 | 106.7 | 150.1 | -58.5 | 173.1 | 0 | 0 | 0 | 119.7 | ||||
| 421 | Q | 37.3 | Very low | 38.8 | Very low | 160 Ų | 160 | 145 Ų | 145 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | 60.1 | 109.1 | 83.5 | -67.5 | -176.2 | -3.2 | 0 | 0 | 117.3 | |||||
| 422 | K | 34.1 | Very low | 39 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | 174.3 | 134.7 | 107.9 | -95.9 | 168.8 | -175.8 | 169.2 | 0 | 115 | |||||
| 423 | K | 36.5 | Very low | 39.1 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 48.3 | 115.9 | 136.2 | -60 | -177.1 | 178.9 | -167.5 | 0 | 119.5 | ||||
| 424 | T | 36.8 | Very low | 39.1 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | 59.6 | 146.3 | 63.7 | 72.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 425 | P | 52.7 | Low | 38.5 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -149.7 | -179.7 | -30.5 | 41.3 | -22.7 | 0 | 0 | 0 | 116.7 | ||||
| 426 | A | 36.3 | Very low | 37.6 | Very low | 86 Ų | 86 | 146.5 Ų | 146.5 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 75.8 | 150.3 | 136 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 427 | K | 35.3 | Very low | 36.7 | Very low | 206 Ų | 206 | 149.5 Ų | 149.5 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | trans | 76.1 | 152.4 | 153.2 | -85.9 | 172.6 | -178 | 177.8 | 0 | 117.6 | ||||
| 428 | S | 41.7 | Very low | 36.7 | Very low | 112 Ų | 112 | 151.4 Ų | 151.4 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | cis | -146.1 | 172.4 | 5.9 | 45.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 429 | Q | 37.1 | Very low | 36.7 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -66.9 | 158.2 | -175 | -57.8 | 153.1 | -52.6 | 0 | 0 | 114.9 | ||||
| 430 | G | 32.3 | Very low | 37 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -146.2 | 143.6 | 158 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 431 | K | 40.3 | Very low | 36.9 | Very low | 192 Ų | 192 | 148.5 Ų | 148.5 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -123.8 | 176 | -177.6 | -80.5 | -172.9 | 176.3 | -179.1 | 0 | 111.4 | ||||
| 432 | T | 36.6 | Very low | 37.8 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | 86.3 | 156.3 | 168.7 | 76.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 433 | A | 35.5 | Very low | 37.6 | Very low | 85 Ų | 85 | 143.7 Ų | 143.7 | 70% | 0.702 | 81% | 0.814 | S | S | * | * | cis | -162.4 | 140.8 | -37.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 434 | S | 33.8 | Very low | 37.6 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | 5.9 | 134.9 | 159.7 | 60.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 435 | M | 36.1 | Very low | 37.4 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 97% | 0.966 | 82% | 0.822 | S | S | * | * | trans | -152.2 | 161.4 | 134.7 | -132.4 | 173.9 | 156.2 | 0 | 0 | 114.5 | ||||
| 436 | K | 33.9 | Very low | 36.8 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 80% | 0.796 | 83% | 0.826 | S | S | * | * | trans | -86.2 | 177 | 178.7 | -64.5 | 171.5 | 177.3 | 165.2 | 0 | 109.7 | ||||
| 437 | Q | 40.1 | Very low | 37.3 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | cis | -164.3 | 171.1 | 27.1 | -156.3 | 150 | -23.6 | 0 | 0 | 115.1 | ||||
| 438 | R | 34.7 | Very low | 37.2 | Very low | 229 Ų | 229 | 147.2 Ų | 147.2 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -52.8 | 167.1 | 168 | -52.9 | 163 | 176.4 | 174.9 | -5 | 113.2 | ||||
| 439 | G | 33.6 | Very low | 36.9 | Very low | 73 Ų | 73 | 146.5 Ų | 146.5 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | cis | 109.6 | 120.5 | 5.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 440 | S | 34.2 | Very low | 36.9 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -160 | 153 | -177.1 | 55.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 441 | K | 35.6 | Very low | 36.8 | Very low | 205 Ų | 205 | 153.6 Ų | 153.6 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | trans | -148 | -173.9 | 170.1 | -71.7 | -176.7 | 178.9 | 177 | 0 | 107.6 | ||||
| 442 | P | 56.1 | Low | 36.3 | Very low | 130 Ų | 130 | 148 Ų | 148 | 84% | 0.844 | 83% | 0.828 | S | S | * | * | -121 | -171.1 | -59.1 | 38.4 | -23.4 | 0 | 0 | 0 | 112.2 | |||||
| 443 | A | 30.9 | Very low | 36.2 | Very low | 105 Ų | 105 | 151.4 Ų | 151.4 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | trans | -142.9 | 173.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 444 | R | 35.2 | Very low | 36 | Very low | 225 Ų | 225 | 154.2 Ų | 154.2 | 85% | 0.849 | 84% | 0.839 | S | S | * | * | trans | -156.2 | 133.6 | -160.5 | 171 | -157.3 | 179.5 | -153.4 | 3.9 | 113.6 | ||||
| 445 | K | 34.2 | Very low | 36.1 | Very low | 188 Ų | 188 | 157.6 Ų | 157.6 | 82% | 0.817 | 83% | 0.834 | S | S | * | * | trans | 168.9 | 168.6 | 137 | -98.1 | 174.7 | -179.6 | -179 | 0 | 114.9 | ||||
| 446 | V | 40 | Very low | 36.1 | Very low | 132 Ų | 132 | 154.3 Ų | 154.3 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | trans | -111.2 | 161.2 | 174.6 | -78.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 447 | P | 47.1 | Very low | 36.3 | Very low | 133 Ų | 133 | 151 Ų | 151 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | -144 | -155.8 | 110.6 | 40.7 | -25.2 | 0 | 0 | 0 | 114.9 | |||||
| 448 | A | 33 | Very low | 36.8 | Very low | 94 Ų | 94 | 148 Ų | 148 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | trans | -158.1 | 161.1 | -131.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 449 | A | 33.7 | Very low | 36.9 | Very low | 98 Ų | 98 | 147.1 Ų | 147.1 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | 67.1 | 156.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 450 | Q | 37.8 | Very low | 36.8 | Very low | 171 Ų | 171 | 153.4 Ų | 153.4 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | cis | -150.5 | 158.5 | 30.9 | -53.7 | -178.8 | 10.6 | 0 | 0 | 115.8 | ||||
| 451 | R | 30.5 | Very low | 37 | Very low | 242 Ų | 242 | 151.9 Ų | 151.9 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | trans | 26.1 | 136.1 | 142.3 | -66.4 | 174.2 | 152 | -159.6 | -4.5 | 123.3 | ||||
| 452 | G | 29.3 | Very low | 37.4 | Very low | 76 Ų | 76 | 147.8 Ų | 147.8 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | 144.8 | 85.7 | 146.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 453 | K | 34.1 | Very low | 36.9 | Very low | 211 Ų | 211 | 147.8 Ų | 147.8 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | 52.5 | 105.6 | 93.9 | -105.5 | -171.7 | 179.3 | -175.8 | 0 | 117.2 | |||||
| 454 | V | 31.8 | Very low | 37 | Very low | 144 Ų | 144 | 152.8 Ų | 152.8 | 87% | 0.873 | 81% | 0.813 | S | S | * | * | 170 | 158.3 | 119.7 | 154.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 455 | R | 36.1 | Very low | 37 | Very low | 186 Ų | 186 | 146.9 Ų | 146.9 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | -133.2 | 139 | -174.8 | 160.3 | -172.5 | 175.9 | -102.4 | 18.5 | 110 | ||||
| 456 | P | 36.2 | Very low | 37.2 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -126.2 | 161.1 | 135.4 | 4.9 | 17.1 | 0 | 0 | 0 | 113.6 | ||||
| 457 | L | 38.4 | Very low | 37.1 | Very low | 112 Ų | 112 | 147.6 Ų | 147.6 | 59% | 0.586 | 82% | 0.816 | S | S | * | * | trans | -152.9 | -178.1 | 166.7 | 54.3 | 45 | 0 | 0 | 0 | 107.5 | ||||
| 458 | P | 49.7 | Very low | 36.6 | Very low | 103 Ų | 103 | 147.1 Ų | 147.1 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | cis | -130.2 | 163.7 | -11 | 39.4 | -24 | 0 | 0 | 0 | 114.3 | ||||
| 459 | K | 36.6 | Very low | 36.6 | Very low | 211 Ų | 211 | 147.2 Ų | 147.2 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -152.1 | 150.4 | 159.9 | -63 | -176.9 | -176.3 | 175.6 | 0 | 108.6 | ||||
| 460 | K | 32.9 | Very low | 36.6 | Very low | 205 Ų | 205 | 154.6 Ų | 154.6 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | cis | -158.8 | 144.3 | -32.3 | -173.6 | 176.5 | -179.7 | -178.4 | 0 | 105.5 | ||||
| 461 | A | 38.1 | Very low | 36.4 | Very low | 92 Ų | 92 | 156.2 Ų | 156.2 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 146.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 462 | P | 43.7 | Very low | 36.5 | Very low | 119 Ų | 119 | 149.2 Ų | 149.2 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 161.8 | 165.1 | 32.9 | -33.9 | 0 | 0 | 0 | 112.1 | ||
| 463 | P | 45.2 | Very low | 36.9 | Very low | 129 Ų | 129 | 156.4 Ų | 156.4 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 164.7 | -159.3 | 34.2 | -37.3 | 0 | 0 | 0 | 116.2 | ||
| 464 | K | 33.1 | Very low | 36.9 | Very low | 211 Ų | 211 | 152.3 Ų | 152.3 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 128 | 174.4 | -60.9 | 174.6 | -179.1 | 176.3 | 0 | 111.4 | ||
| 465 | A | 35.4 | Very low | 37.2 | Very low | 100 Ų | 100 | 149.7 Ų | 149.7 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 156.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 466 | K | 38.7 | Very low | 37.3 | Very low | 202 Ų | 202 | 146.8 Ų | 146.8 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 144.1 | -167.8 | -61.6 | 175.1 | -177.2 | 175.4 | 0 | 112.7 | P468 | K466-P468 WeakPolarHBondContact O-CD 3.04Š|
| 467 | T | 38.1 | Very low | 37.1 | Very low | 134 Ų | 134 | 146 Ų | 146 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72 | 124.2 | 166.6 | 47.1 | 0 | 0 | 0 | 0 | 110.9 | ||
| 468 | P | 36.5 | Very low | 36.8 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 148.8 | 159.5 | 31.2 | -32.6 | 0 | 0 | 0 | 109.9 | K466 | K466-P468 WeakPolarHBondContact O-CD 3.04Š|
| 469 | A | 32.2 | Very low | 36.1 | Very low | 95 Ų | 95 | 149.6 Ų | 149.6 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 166.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | K471 | A469-K471 PolarHBondContact O-N 2.65Š|
| 470 | R | 34.1 | Very low | 35.8 | Very low | 253 Ų | 253 | 148.5 Ų | 148.5 | 96% | 0.955 | 82% | 0.821 | S | S | * | * | trans | -42.3 | 122.8 | 163.2 | -74.3 | 167.5 | 143.6 | -152.4 | -1.7 | 110.8 | ||||
| 471 | K | 33.2 | Very low | 35.9 | Very low | 205 Ų | 205 | 148.3 Ų | 148.3 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 145 | 148.1 | -81.9 | -167.3 | 173.3 | -174.5 | 0 | 109.2 | A469 | A469-K471 PolarHBondContact O-N 2.65Š|
| 472 | A | 34.1 | Very low | 35.8 | Very low | 95 Ų | 95 | 149.3 Ų | 149.3 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 152 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113 | P474 | A472-P474 WeakPolarHBondContact O-CD 3.23Š|
| 473 | R | 36.3 | Very low | 35.1 | Very low | 228 Ų | 228 | 149.4 Ų | 149.4 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -67 | 120.4 | 166.1 | 176.7 | -172 | -169.8 | -136.1 | 7.8 | 108.7 | S475 | R473-S475 PolarHBondContact O-N 2.95Š|
| 474 | P | 34.4 | Very low | 34.3 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 118.6 | 168.4 | 28.2 | -31.8 | 0 | 0 | 0 | 109.2 | A472 | A472-P474 WeakPolarHBondContact O-CD 3.23Š|
| 475 | S | 37.8 | Very low | 34.2 | Very low | 90 Ų | 90 | 141.8 Ų | 141.8 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 150.8 | 159.9 | 45.2 | 0 | 0 | 0 | 0 | 109.7 | R473 S477 | R473-S475 PolarHBondContact O-N 2.95Å; S475-S477 PolarHBondContact O-N 3.26Å |
| 476 | P | 38.3 | Very low | 34.1 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 129.3 | 180 | 27.2 | -34.5 | 0 | 0 | 0 | 111.4 | V478 | P476-V478 PolarHBondContact O-N 2.68Š|
| 477 | S | 33.2 | Very low | 33.8 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 121.3 | 176.9 | -49.7 | 0 | 0 | 0 | 0 | 110.9 | S475 | S475-S477 PolarHBondContact O-N 3.26Š|
| 478 | V | 31.2 | Very low | 33.7 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 121.5 | 170 | 174.5 | 0 | 0 | 0 | 0 | 109.2 | P476 | P476-V478 PolarHBondContact O-N 2.68Š|
| 479 | I | 35.2 | Very low | 33.4 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | trans | -123.4 | 104.5 | 165.8 | -61.3 | -175.6 | 0 | 0 | 0 | 110 | ||||
| 480 | K | 30.7 | Very low | 34.5 | Very low | 187 Ų | 187 | 135 Ų | 135 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | 16.9 | 123.2 | 148.1 | -58.4 | -179.7 | 180 | -179.4 | 0 | 119.1 | ||||
| 481 | K | 35.5 | Very low | 34.5 | Very low | 201 Ų | 201 | 131.3 Ų | 131.3 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | -67 | 165.8 | 143.2 | -62.5 | -176.1 | 177 | -174 | 0 | 110.7 | ||||
| 482 | P | 34.3 | Very low | 34.5 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 74% | 0.74 | 73% | 0.734 | S | S | * | * | trans | -115.4 | 163.7 | 133.7 | 35.6 | -31.1 | 0 | 0 | 0 | 113.6 | ||||
| 483 | S | 29.3 | Very low | 34.5 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | trans | -1.9 | 147.7 | 157.7 | 51.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 484 | G | 28.5 | Very low | 34.4 | Very low | 73 Ų | 73 | 119.5 Ų | 119.5 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | cis | 177.6 | -167.9 | 6.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 485 | S | 31.6 | Very low | 34.4 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | cis | -172.2 | 124.4 | -15 | 45.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 486 | S | 32.1 | Very low | 34.1 | Very low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | trans | 65.4 | 174 | 168.4 | 95.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 487 | S | 34 | Very low | 33.8 | Very low | 52 Ų | 52 | 131.4 Ų | 131.4 | 36% | 0.364 | 74% | 0.738 | S | S | . | * | cis | -161.3 | 130.7 | -17.8 | 26 | 0 | 0 | 0 | 0 | 110.4 | K59 | K59-S487 WeakPolarHBondContact CE-O 3.29Å; K59-S487 VanDerWaalsContact CE-OG 3.29Å; K59-S487 WeakPolarHBondContact CE-OG 3.35Å; K59-S487 PolarHBondContact NZ-OG 2.81Å | ||
| 488 | R | 34.9 | Very low | 33.7 | Very low | 125 Ų | 125 | 131 Ų | 131 | 47% | 0.472 | 74% | 0.741 | S | S | . | * | trans | 55.3 | 122.5 | 138.2 | -70.1 | 175 | 162.2 | -155.2 | 1.3 | 120.1 | G60 E61 E63 | G60-R488 PolarHBondContact N-O 2.97Å; E61-R488 HydrophobicContact CB-CB 3.82Å; E61-R488 HydrophobicContact CB-CG 4.11Å; E61-R488 WeakPolarHBondContact O-CD 3.37Å; E61-R488 WeakPolarHBondContact O-CG 3.34Å; E61-R488 PolarHBondContact O-NE 2.93Å; E63-R488 IonicContact OE2-CZ 2.67Å; E63-R488 IonicContact OE2-NE 3.76Å; E63-R488 PolarHBondContact OE2-NE 2.86Å; E63-R488 IonicContact OE2-NH2 2.62Å; E63-R488 PolarHBondContact OE2-NH2 3.28Å | ||
| 489 | K | 30 | Very low | 33.6 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 58% | 0.583 | 74% | 0.742 | S | S | * | * | trans | -97.8 | -70.5 | -161.1 | -26.3 | 99.7 | -173 | 169.1 | 0 | 124.2 | K59 G60 E61 | K59-K489 CarbonylContact C-O 3.56Å; K59-K489 WeakPolarHBondContact CA-O 3.37Å; G60-K489 PolarHBondContact N-O 2.62Å; G60-K489 CarbonylContact O-C 3.33Å; E61-K489 IonicContact OE1-NZ 2.81Å; E61-K489 PolarHBondContact OE1-NZ 3.23Å; E61-K489 WeakPolarHBondContact OE2-CD 3.48Å; E61-K489 WeakPolarHBondContact OE2-CE 3.25Å; E61-K489 IonicContact OE2-NZ 2.73Å; E61-K489 PolarHBondContact OE2-NZ 2.84Å | ||
| 490 | P | 56.4 | Low | 33.6 | Very low | 88 Ų | 88 | 134.3 Ų | 134.3 | 57% | 0.571 | 75% | 0.745 | S | S | * | * | trans | -141 | 149.3 | -151.9 | 39.6 | -20 | 0 | 0 | 0 | 121.5 | G60 | G60-P490 CarbonylContact O-C 3.58Å; G60-P490 VanDerWaalsContact O-CD 3.23Å; G60-P490 WeakPolarHBondContact O-CD 3.45Å | ||
| 491 | I | 33.5 | Very low | 34.5 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 90% | 0.897 | 75% | 0.746 | S | S | * | * | trans | -150.9 | 166.6 | 155.2 | -110 | 166.2 | 0 | 0 | 0 | 113.5 | ||||
| 492 | A | 33.9 | Very low | 34.3 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 69% | 0.694 | 74% | 0.737 | S | S | * | * | trans | -66.4 | -175.8 | -170 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 493 | S | 32.5 | Very low | 34.3 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | cis | -169.9 | 175.4 | 25.9 | -111.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 494 | A | 34.7 | Very low | 34.4 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | cis | 178 | -179.7 | -26.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 495 | R | 34.8 | Very low | 34.9 | Very low | 236 Ų | 236 | 135 Ų | 135 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | 77.6 | 162 | 173.6 | -64 | 177.6 | 159.8 | 179.2 | -5.1 | 116.3 | ||||
| 496 | K | 31.6 | Very low | 35.1 | Very low | 176 Ų | 176 | 136 Ų | 136 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | cis | -145.4 | 173.5 | 8.8 | -146.4 | 173.9 | 179.8 | -172.9 | 0 | 113.7 | ||||
| 497 | E | 30.9 | Very low | 35.5 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -86.8 | 157.5 | -175.7 | -43.3 | 138.4 | 83.4 | 0 | 0 | 115.2 | ||||
| 498 | A | 31.2 | Very low | 35.6 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | 169.7 | 156.9 | 131.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 499 | K | 29.5 | Very low | 35.9 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | cis | -161.6 | 153.5 | -35 | -169.1 | 169.4 | -180 | 175.6 | 0 | 108.5 | ||||
| 500 | L | 36.1 | Very low | 36.5 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -65.1 | 169.2 | 172 | -66.8 | 172.7 | 0 | 0 | 0 | 112.3 | ||||
| 501 | P | 48.4 | Very low | 35.9 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | cis | -140.6 | -171 | 24.4 | 40.9 | -19.7 | 0 | 0 | 0 | 115.6 | ||||
| 502 | G | 31.6 | Very low | 36.3 | Very low | 67 Ų | 67 | 146.8 Ų | 146.8 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | cis | 147 | -178.5 | -11.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 503 | K | 34.4 | Very low | 36.9 | Very low | 221 Ų | 221 | 151.2 Ų | 151.2 | 96% | 0.961 | 81% | 0.814 | S | S | * | * | trans | 66.2 | 123.8 | 171.4 | -66.5 | -179.9 | 178.6 | 174.4 | 0 | 119.8 | ||||
| 504 | G | 31.9 | Very low | 37.4 | Very low | 80 Ų | 80 | 152 Ų | 152 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -169.7 | 123 | 156.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 505 | K | 38.8 | Very low | 38.2 | Very low | 214 Ų | 214 | 158 Ų | 158 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | trans | -130.2 | 143.7 | -178.9 | -68.9 | -178.1 | 179.1 | -179.7 | 0 | 110.8 | ||||
| 506 | S | 36.9 | Very low | 38.9 | Very low | 127 Ų | 127 | 160.1 Ų | 160.1 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | trans | -167.7 | 174.9 | 131.1 | 70.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 507 | A | 38.9 | Very low | 39.3 | Very low | 94 Ų | 94 | 159.4 Ų | 159.4 | 78% | 0.777 | 84% | 0.844 | S | S | * | * | trans | -159.4 | 154.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 508 | M | 37.1 | Very low | 39.7 | Very low | 159 Ų | 159 | 158.5 Ų | 158.5 | 78% | 0.783 | 85% | 0.845 | S | S | * | * | trans | -174.5 | 123 | 139.6 | -165.5 | 65.5 | 85.4 | 0 | 0 | 114.3 | ||||
| 509 | K | 40.9 | Very low | 40.2 | Very low | 175 Ų | 175 | 161.7 Ų | 161.7 | 76% | 0.761 | 85% | 0.846 | S | S | * | * | trans | -4.3 | 163.1 | 151 | -49.1 | 172.6 | -172.5 | 175.5 | 0 | 123.1 | ||||
| 510 | K | 42.5 | Very low | 40.8 | Very low | 189 Ų | 189 | 159.3 Ų | 159.3 | 82% | 0.822 | 84% | 0.844 | S | S | * | * | trans | 102.4 | 134.7 | 152.4 | -61.6 | -174.1 | 179.3 | 179.5 | 0 | 115.9 | ||||
| 511 | S | 43.3 | Very low | 41.1 | Very low | 93 Ų | 93 | 159.3 Ų | 159.3 | 65% | 0.65 | 85% | 0.845 | S | S | * | * | cis | 109.8 | 107.5 | 2.5 | 79.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 512 | F | 41.7 | Very low | 40.7 | Very low | 204 Ų | 204 | 161.3 Ų | 161.3 | 90% | 0.895 | 85% | 0.845 | S | S | * | * | trans | -174.6 | 134.7 | 149.9 | -87.2 | -69 | 0 | 0 | 0 | 105.4 | ||||
| 513 | K | 46.8 | Very low | 41.3 | Very low | 177 Ų | 177 | 168.1 Ų | 168.1 | 77% | 0.77 | 86% | 0.856 | S | S | * | * | cis | 98.8 | 115.3 | 14.8 | -155.6 | -163.1 | 170.7 | -175.9 | 0 | 115.8 | ||||
| 514 | T | 43.6 | Very low | 41.8 | Very low | 130 Ų | 130 | 164 Ų | 164 | 80% | 0.798 | 85% | 0.848 | S | S | * | * | trans | 69 | 143.1 | 161.9 | 33.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 515 | K | 50.8 | Low | 42.7 | Very low | 210 Ų | 210 | 171 Ų | 171 | 91% | 0.913 | 85% | 0.85 | S | S | * | * | trans | -147.1 | 92.7 | 176.1 | 179.8 | -178.4 | -179.3 | 175.2 | 0 | 109.7 | ||||
| 516 | K | 50.7 | Low | 43 | Very low | 280 Ų | 280 | 167.1 Ų | 167.1 | 100% | 1.217 | 84% | 0.843 | S | S | * | * | trans | -163 | 0 | 145.9 | -138.4 | -177.2 | -177.7 | -173 | 0 | 109.2 |
Retrieved 516 of 516 residues in 102.9 ms
(Link to these results)