| 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 | 35.3 | Very low | 40.9 | Very low | 231 Ų | 231 | 144.6 Ų | 144.6 | 100% | 1.138 | 82% | 0.823 | S | S | * | * | 0 | 100.2 | 0 | -61.9 | 162.6 | 86 | 0 | 0 | 104.8 | |||||
| 2 | S | 38.2 | Very low | 41.3 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | 89.7 | 126.6 | 78.9 | -66.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 3 | S | 39.6 | Very low | 40.8 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | cis | -158.8 | 163.4 | -7 | -66.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | D | 44.6 | Very low | 40.2 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -62 | 159.7 | 152.4 | -65 | -84.9 | 0 | 0 | 0 | 110.7 | ||||
| 5 | P | 59.5 | Low | 39.8 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | -135 | 154.3 | 116.9 | 37.6 | -29.5 | 0 | 0 | 0 | 114.6 | |||||
| 6 | V | 45.1 | Very low | 39.4 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 78% | 0.782 | 82% | 0.822 | S | S | * | * | trans | -81.8 | 146.1 | 166 | 171 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 7 | E | 44.2 | Very low | 39 | Very low | 195 Ų | 195 | 147.1 Ų | 147.1 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -123.1 | 158 | 155.1 | -163.1 | 162.4 | 94.4 | 0 | 0 | 109.9 | ||||
| 8 | Q | 37.7 | Very low | 38.8 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -142.5 | 175.7 | -160.5 | -161.7 | 172.9 | 28.5 | 0 | 0 | 110.2 | ||||
| 9 | S | 34.1 | Very low | 38.6 | Very low | 101 Ų | 101 | 151.1 Ų | 151.1 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | 77.4 | 156 | -178.6 | -51.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 10 | E | 33 | Very low | 38.2 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | cis | -144.2 | 167.1 | -2 | -146.6 | 160.5 | 91 | 0 | 0 | 111.1 | ||||
| 11 | A | 39 | Very low | 38.1 | Very low | 87 Ų | 87 | 147.6 Ų | 147.6 | 72% | 0.719 | 82% | 0.815 | S | S | * | * | trans | -124.8 | 138.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 12 | P | 45.5 | Very low | 38 | Very low | 133 Ų | 133 | 144 Ų | 144 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -120.5 | 172.5 | 146.6 | 36.6 | -28.1 | 0 | 0 | 0 | 111.5 | ||||
| 13 | A | 34.2 | Very low | 37.8 | Very low | 98 Ų | 98 | 148.9 Ų | 148.9 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -135.1 | -179.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 14 | D | 33.2 | Very low | 37.6 | Very low | 141 Ų | 141 | 150.4 Ų | 150.4 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | trans | 93.2 | 162.2 | 159.6 | -137.2 | -82.3 | 0 | 0 | 0 | 119.1 | ||||
| 15 | Q | 33.2 | Very low | 37.1 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | 66.1 | 96.8 | 178.4 | -51.4 | -169.9 | 20.5 | 0 | 0 | 115.7 | ||||
| 16 | K | 33.4 | Very low | 35.8 | Very low | 194 Ų | 194 | 156.5 Ų | 156.5 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | cis | 74.5 | 87.2 | 36.3 | -166.7 | -162.9 | 176.1 | -178 | 0 | 114.5 | ||||
| 17 | E | 32.8 | Very low | 35.4 | Very low | 167 Ų | 167 | 158.7 Ų | 158.7 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | -151.8 | 162.1 | 128.1 | -120.3 | -161.1 | 131.7 | 0 | 0 | 116 | |||||
| 18 | R | 36.2 | Very low | 35 | Very low | 201 Ų | 201 | 156.9 Ų | 156.9 | 76% | 0.758 | 81% | 0.805 | S | S | * | * | trans | -59 | 141.9 | -171.3 | -63.6 | 147.4 | 149.2 | 170.7 | -11.6 | 115 | ||||
| 19 | N | 34.7 | Very low | 35 | Very low | 170 Ų | 170 | 155.1 Ų | 155.1 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | -172.3 | 133.3 | 101.2 | -90.4 | -30.4 | 0 | 0 | 0 | 110.2 | |||||
| 20 | G | 30.3 | Very low | 35 | Very low | 67 Ų | 67 | 157.9 Ų | 157.9 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | -126.2 | 146.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 21 | I | 36.5 | Very low | 35 | Very low | 161 Ų | 161 | 155.8 Ų | 155.8 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -143.9 | 80 | 168.6 | 41.8 | 168.3 | 0 | 0 | 0 | 109.8 | F23 | I21-F23 PolarHBondContact O-N 3.16Š| ||
| 22 | D | 33.9 | Very low | 34.9 | Very low | 156 Ų | 156 | 160.3 Ų | 160.3 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | -66.4 | 118.4 | 171.9 | -92 | -77.4 | 0 | 0 | 0 | 111.5 | N24 | D22-N24 PolarHBondContact O-N 2.65Š| ||
| 23 | F | 33.1 | Very low | 34.3 | Very low | 215 Ų | 215 | 160.3 Ų | 160.3 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | trans | -95.8 | 63.4 | 171.8 | -115.3 | -79 | 0 | 0 | 0 | 111.4 | I21 | I21-F23 PolarHBondContact O-N 3.16Š| ||
| 24 | N | 35.3 | Very low | 34.1 | Very low | 138 Ų | 138 | 162.5 Ų | 162.5 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | -123 | 108.7 | 171.7 | -162.5 | -19.9 | 0 | 0 | 0 | 110.4 | D22 | D22-N24 PolarHBondContact O-N 2.65Š| ||
| 25 | R | 35.2 | Very low | 34 | Very low | 233 Ų | 233 | 160.3 Ų | 160.3 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -141.1 | 112 | 172.3 | -175.8 | 168 | -70.1 | -96.9 | -1.1 | 110.3 | ||||
| 26 | Q | 32.3 | Very low | 35.1 | Very low | 173 Ų | 173 | 156.3 Ų | 156.3 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -53.5 | 140.5 | 171.2 | -67.9 | 153.2 | -86.3 | 0 | 0 | 111.3 | ||||
| 27 | I | 36.8 | Very low | 34.9 | Very low | 176 Ų | 176 | 155 Ų | 155 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | trans | -76.9 | 120.2 | 161.4 | -55.3 | 175.3 | 0 | 0 | 0 | 106.5 | ||||
| 28 | K | 34 | Very low | 34.9 | Very low | 156 Ų | 156 | 152.1 Ų | 152.1 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -106.4 | 129.2 | 176 | -168.7 | -170.3 | 174.5 | -159.2 | 0 | 109.6 | E30 | K28-E30 HydrophobicContact CD-CG 4.37Å; K28-E30 WeakPolarHBondContact CE-OE1 3.37Å; K28-E30 IonicContact NZ-OE1 3.65Å; K28-E30 PolarHBondContact NZ-OE1 3.48Å | ||
| 29 | T | 38.1 | Very low | 34.5 | Very low | 135 Ų | 135 | 147 Ų | 147 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | trans | -75 | 134 | 167.9 | 30.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 30 | E | 35.3 | Very low | 34.2 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -133.7 | 145.2 | 165.3 | -63 | -168.2 | 156.3 | 0 | 0 | 109 | K28 | K28-E30 HydrophobicContact CD-CG 4.37Å; K28-E30 WeakPolarHBondContact CE-OE1 3.37Å; K28-E30 IonicContact NZ-OE1 3.65Å; K28-E30 PolarHBondContact NZ-OE1 3.48Å | ||
| 31 | D | 33 | Very low | 34.2 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -109.1 | 143.8 | -166.5 | -176.2 | -75.1 | 0 | 0 | 0 | 110.5 | N33 | D31-N33 PolarHBondContact OD1-N 3.36Å; D31-N33 VanDerWaalsContact OD1-N 3.16Å | ||
| 32 | L | 36.8 | Very low | 33.9 | Very low | 181 Ų | 181 | 144.6 Ų | 144.6 | 95% | 0.948 | 78% | 0.78 | S | S | * | * | trans | -142.7 | 82.3 | 169.2 | -79.2 | -179.7 | 0 | 0 | 0 | 111.6 | ||||
| 33 | N | 33 | Very low | 33.8 | Very low | 133 Ų | 133 | 147 Ų | 147 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -77.8 | 124.3 | 154.6 | 167.4 | 96.5 | 0 | 0 | 0 | 111.1 | D31 | D31-N33 PolarHBondContact OD1-N 3.36Å; D31-N33 VanDerWaalsContact OD1-N 3.16Å | ||
| 34 | D | 28.8 | Very low | 33.6 | Very low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -154.2 | 149.3 | 141.2 | -158.7 | -115.9 | 0 | 0 | 0 | 114.6 | ||||
| 35 | S | 31.2 | Very low | 33.2 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | trans | -177.3 | 155.7 | 177.3 | -112 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 36 | P | 55.9 | Low | 33 | Very low | 93 Ų | 93 | 139 Ų | 139 | 60% | 0.604 | 78% | 0.777 | S | S | * | * | cis | -151.2 | -148.1 | 39.5 | 38.3 | -13.5 | 0 | 0 | 0 | 114.6 | ||||
| 37 | H | 30.1 | Very low | 32.8 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | 84.1 | 146.2 | 167.3 | -52.5 | -56.9 | 0 | 0 | 0 | 118 | ||||
| 38 | S | 32.1 | Very low | 32.4 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | cis | -169.4 | 158.8 | -29.3 | -107.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 39 | A | 28.3 | Very low | 32.4 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | trans | 66.8 | 110.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 40 | S | 29.2 | Very low | 31.9 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | 53.8 | 126.4 | 119.7 | -158.9 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 41 | S | 28.7 | Very low | 31.8 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | -176.7 | 166.1 | 98.2 | -160 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 42 | V | 30.6 | Very low | 33 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | -74.2 | 160.2 | -172.1 | -68.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 43 | K | 32.3 | Very low | 33 | Very low | 206 Ų | 206 | 127.4 Ų | 127.4 | 90% | 0.896 | 76% | 0.755 | S | S | * | * | -165.4 | 141.8 | 120.3 | -105.1 | 155.9 | -171.7 | 175.4 | 0 | 115.3 | |||||
| 44 | T | 28.5 | Very low | 33.2 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -99.1 | 151.9 | 177.8 | -43.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 45 | C | 28 | Very low | 33.3 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 91% | 0.912 | 76% | 0.76 | S | S | * | * | trans | -165 | 168 | 145.5 | -100.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 46 | H | 29.4 | Very low | 33.4 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -140.8 | -164.9 | -170.2 | 107.4 | -50.1 | 0 | 0 | 0 | 112.6 | ||||
| 47 | L | 28.1 | Very low | 32.5 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 71% | 0.707 | 78% | 0.777 | S | S | * | * | trans | 95.4 | 114.1 | 175.1 | -148.3 | 81.2 | 0 | 0 | 0 | 112.2 | ||||
| 48 | T | 30 | Very low | 33 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 56% | 0.558 | 78% | 0.779 | S | S | * | * | cis | 93.8 | 134.3 | 25.9 | 78.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 49 | Q | 32.2 | Very low | 33.1 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | 70 | 144.7 | 175 | -54.4 | 179.7 | 70.5 | 0 | 0 | 115.2 | ||||
| 50 | S | 28.7 | Very low | 33.4 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | cis | -158.6 | 178.3 | 29.1 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 51 | S | 32.9 | Very low | 33.5 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -145.1 | -168.2 | 172.3 | -33.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 52 | P | 59.1 | Low | 34 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | cis | -131.9 | -152.1 | -29.3 | 33 | -11.1 | 0 | 0 | 0 | 112.6 | ||||
| 53 | V | 36.2 | Very low | 34.1 | Very low | 113 Ų | 113 | 136 Ų | 136 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | 110.2 | 117.5 | 150.8 | -174.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 54 | H | 36.6 | Very low | 34.1 | Very low | 194 Ų | 194 | 130.9 Ų | 130.9 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | 165.2 | 155.3 | 131.7 | -89.4 | 90.2 | 0 | 0 | 0 | 108.8 | ||||
| 55 | G | 31.9 | Very low | 34.3 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | 171.5 | 63.9 | 0.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 56 | S | 33.5 | Very low | 35.1 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | 1.2 | 132.1 | 162.1 | -46.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 57 | Q | 35.6 | Very low | 35.9 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | 172.7 | 132.5 | 122.8 | -93.3 | -178.6 | 81 | 0 | 0 | 111.7 | |||||
| 58 | L | 42.3 | Very low | 36.3 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | 70 | 135.8 | 79.4 | -60.4 | -173.5 | 0 | 0 | 0 | 114.2 | |||||
| 59 | T | 34 | Very low | 36.6 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | cis | -158.9 | 156.4 | 20.1 | -48.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 60 | G | 33.5 | Very low | 36.6 | Very low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 97.6 | 116.7 | 156 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 61 | E | 32.1 | Very low | 37.1 | Very low | 179 Ų | 179 | 140 Ų | 140 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | 57.1 | 127.7 | 75.9 | -99.4 | -167.3 | 66.7 | 0 | 0 | 114.9 | |||||
| 62 | L | 38.5 | Very low | 37.2 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | cis | -148.2 | 173.3 | 19.7 | -99.2 | 172.4 | 0 | 0 | 0 | 113.2 | ||||
| 63 | T | 33.7 | Very low | 36.1 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | 59 | 167.6 | 164.4 | 57.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 64 | S | 31.2 | Very low | 36.2 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | cis | -165 | 157.2 | -47.2 | -167.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 65 | L | 34 | Very low | 36.8 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | trans | 68.2 | 136.7 | 170.5 | -58.6 | 176.8 | 0 | 0 | 0 | 119.7 | ||||
| 66 | H | 43.1 | Very low | 37.7 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -76.3 | 166 | 159.5 | -121.1 | 174.6 | 0 | 0 | 0 | 109.5 | ||||
| 67 | P | 47.3 | Very low | 37.6 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | cis | -145.2 | 179.5 | 48.2 | 41.2 | -21.3 | 0 | 0 | 0 | 117.7 | ||||
| 68 | M | 36.7 | Very low | 37.6 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | trans | -56.8 | 136.8 | 169.7 | -72.5 | -96.8 | 153.4 | 0 | 0 | 114.1 | ||||
| 69 | Q | 35.3 | Very low | 37.1 | Very low | 184 Ų | 184 | 141 Ų | 141 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | 169.5 | 120.3 | 117.9 | -92.6 | 158.6 | 106.3 | 0 | 0 | 112.2 | |||||
| 70 | Q | 32.6 | Very low | 37 | Very low | 186 Ų | 186 | 140 Ų | 140 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -170.1 | 122.1 | 141.9 | -114.8 | 172.8 | -29.7 | 0 | 0 | 111.4 | ||||
| 71 | L | 39.3 | Very low | 37.1 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -138.5 | 124 | 149.4 | -154.3 | 80.3 | 0 | 0 | 0 | 108.7 | L73 | L71-L73 PolarHBondContact O-N 3.33Š| ||
| 72 | V | 35.2 | Very low | 38.2 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -74.1 | 113.7 | -178.2 | 169.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 73 | L | 36 | Very low | 38.1 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | 56.6 | 99.9 | 83 | -174.6 | 74.9 | 0 | 0 | 0 | 114.1 | L71 | L71-L73 PolarHBondContact O-N 3.33Š| |||
| 74 | M | 37.2 | Very low | 39.1 | Very low | 173 Ų | 173 | 138 Ų | 138 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | -140.2 | 125.6 | 153.9 | -162 | -78.2 | 151.3 | 0 | 0 | 108.7 | ||||
| 75 | P | 49.9 | Very low | 39.6 | Very low | 83 Ų | 83 | 142.5 Ų | 142.5 | 54% | 0.539 | 78% | 0.784 | S | S | . | * | trans | -104.3 | -149.3 | -166.9 | 45.7 | -41.3 | 0 | 0 | 0 | 113.2 | ||||
| 76 | P | 50.5 | Low | 39.5 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | -131 | 173 | -111.9 | 38.6 | -18.1 | 0 | 0 | 0 | 116.2 | |||||
| 77 | S | 30.7 | Very low | 39.3 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -139.3 | 118.9 | 177.7 | -62.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 78 | H | 37 | Very low | 38.3 | Very low | 171 Ų | 171 | 141.9 Ų | 141.9 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | 48.8 | 98.2 | 158.4 | 25.6 | -111.6 | 0 | 0 | 0 | 123 | ||||
| 79 | L | 31.9 | Very low | 38.1 | Very low | 165 Ų | 165 | 142 Ų | 142 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | 49.8 | 120.8 | 117.9 | -61.3 | 170.8 | 0 | 0 | 0 | 122.2 | |||||
| 80 | S | 31 | Very low | 37.9 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | -177.8 | 144.2 | 113.6 | -79.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 81 | T | 35.7 | Very low | 38.7 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -178.9 | 169.2 | 174.7 | 0.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 82 | P | 55.9 | Low | 38.4 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | cis | -136 | -170.4 | -10.5 | 41.2 | -23.3 | 0 | 0 | 0 | 115.1 | ||||
| 83 | S | 36.1 | Very low | 38 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 76.7 | 167.7 | 147.3 | 83.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 84 | P | 55 | Low | 38 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | cis | -128.6 | -179.8 | -15.9 | 24.6 | -1.6 | 0 | 0 | 0 | 114.9 | ||||
| 85 | F | 41.1 | Very low | 37.7 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -77 | 150.4 | 168.1 | -134.9 | -100.5 | 0 | 0 | 0 | 111.6 | ||||
| 86 | L | 32.7 | Very low | 36.9 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | -142 | 157.6 | 159.2 | -85.7 | -175.3 | 0 | 0 | 0 | 112.3 | ||||
| 87 | L | 38.1 | Very low | 36.2 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -122.2 | 144.5 | -165.4 | 177.1 | 74.5 | 0 | 0 | 0 | 111 | ||||
| 88 | S | 27.5 | Very low | 36.6 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -154.9 | 159.6 | 155.7 | -164.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 89 | Q | 31.3 | Very low | 36.5 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | trans | -128.4 | 137 | -169.9 | -53.3 | 177.9 | 31.2 | 0 | 0 | 113.1 | ||||
| 90 | S | 31.1 | Very low | 37.2 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | 64 | 177.2 | 139.8 | 81.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 91 | P | 50.3 | Low | 37.1 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -130 | -171.5 | -13.1 | 31.7 | -10.6 | 0 | 0 | 0 | 114.6 | ||||
| 92 | S | 31.9 | Very low | 37 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | 100.8 | 91.7 | 146.6 | -56 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 93 | N | 27.9 | Very low | 36 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | 71.9 | 140.5 | 126.9 | -67.7 | -4.3 | 0 | 0 | 0 | 126 | |||||
| 94 | H | 34.5 | Very low | 35.9 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | 86.7 | 109.5 | 144.3 | 67.7 | -115.3 | 0 | 0 | 0 | 124.5 | ||||
| 95 | Q | 32.1 | Very low | 35 | Very low | 186 Ų | 186 | 145.8 Ų | 145.8 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | 70.8 | 108 | 140.4 | -69.5 | -166.9 | -16 | 0 | 0 | 123.3 | ||||
| 96 | A | 31.6 | Very low | 35.2 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | 48.9 | 116.8 | 121 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 97 | L | 36.1 | Very low | 35.3 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | -163.4 | 152.5 | 112.9 | -107.4 | 165.8 | 0 | 0 | 0 | 111.7 | |||||
| 98 | L | 39.6 | Very low | 35.1 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -111.5 | 125.6 | 174 | -70.3 | 170.6 | 0 | 0 | 0 | 109.6 | ||||
| 99 | Q | 35 | Very low | 35.5 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -155.1 | 130.3 | 155.5 | -86.4 | -62.5 | 24.2 | 0 | 0 | 110.6 | ||||
| 100 | P | 46.3 | Very low | 36.4 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | trans | -83.4 | 141.8 | 161.4 | 34.1 | -30.8 | 0 | 0 | 0 | 110.2 | ||||
| 101 | N | 29.7 | Very low | 36.4 | Very low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -91.9 | 138 | 179.4 | -153.5 | -4 | 0 | 0 | 0 | 111.6 | ||||
| 102 | L | 32.2 | Very low | 35.5 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 73% | 0.728 | 80% | 0.804 | S | S | * | * | trans | -105.7 | 144 | -176.7 | -67.4 | 170.9 | 0 | 0 | 0 | 110.6 | ||||
| 103 | L | 36.3 | Very low | 35.5 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -118.9 | 110.5 | 164.4 | -122 | 75.1 | 0 | 0 | 0 | 109.1 | ||||
| 104 | S | 32.5 | Very low | 35.8 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -116.1 | 147.6 | 179.4 | -64 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 105 | L | 36.6 | Very low | 35.6 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -86 | 151.2 | 170.6 | -83.5 | 67.1 | 0 | 0 | 0 | 110.8 | ||||
| 106 | P | 46.4 | Very low | 35.6 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -75.3 | 161.4 | 162.2 | 34.5 | -34.8 | 0 | 0 | 0 | 110.7 | ||||
| 107 | G | 33.3 | Very low | 35.5 | Very low | 67 Ų | 67 | 141.7 Ų | 141.7 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | cis | 148.6 | 130.2 | -4.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 108 | Q | 34.8 | Very low | 35.1 | Very low | 205 Ų | 205 | 137.1 Ų | 137.1 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | trans | -162.9 | 159.7 | 165.3 | -116.6 | 171.1 | 106 | 0 | 0 | 111.2 | ||||
| 109 | S | 36.1 | Very low | 34.8 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -129.7 | -172.2 | -168.1 | 62.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 110 | P | 49 | Very low | 34.5 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | cis | -141.7 | 172.2 | 4.8 | 43 | -24.8 | 0 | 0 | 0 | 118.5 | ||||
| 111 | G | 31.8 | Very low | 33.8 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 79.6 | 155 | 143.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 112 | L | 31.2 | Very low | 34.1 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | cis | -161.6 | 161 | -10.6 | -162.8 | 74.3 | 0 | 0 | 0 | 110.2 | ||||
| 113 | L | 32.3 | Very low | 34.6 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | 82.9 | 155.3 | 165.5 | -55.9 | -177.1 | 0 | 0 | 0 | 119.8 | ||||
| 114 | Q | 33.8 | Very low | 34.4 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -153.8 | 151.2 | -151.9 | 173.8 | 171.8 | -10.9 | 0 | 0 | 111.3 | ||||
| 115 | H | 31.8 | Very low | 34.5 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 67.5 | 160.1 | 173.3 | -104.1 | -174.9 | 0 | 0 | 0 | 116.3 | ||||
| 116 | Q | 30.7 | Very low | 34.2 | Very low | 155 Ų | 155 | 133 Ų | 133 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | cis | -143.8 | 158.9 | 12.4 | -137.1 | -153.5 | 111.1 | 0 | 0 | 113.3 | ||||
| 117 | S | 29.8 | Very low | 33.4 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | 35.7 | 119.5 | 143.7 | -58.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 118 | G | 28.9 | Very low | 33.6 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -87 | -158 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 119 | L | 32.8 | Very low | 33.3 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 97% | 0.969 | 80% | 0.8 | S | S | * | * | trans | -151.7 | 163.1 | 167.8 | -102.5 | 172.8 | 0 | 0 | 0 | 109.4 | ||||
| 120 | A | 29.1 | Very low | 33 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -98 | 164.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 121 | L | 31.5 | Very low | 32.3 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | -174.2 | 177.2 | 120.3 | -97.7 | 169.6 | 0 | 0 | 0 | 112.8 | |||||
| 122 | T | 36.1 | Very low | 32.4 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | -90.1 | 158.2 | -160.2 | 49.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 123 | P | 41.6 | Very low | 32.3 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -83.9 | 136.6 | 172.9 | 34 | -33.8 | 0 | 0 | 0 | 113.3 | ||||
| 124 | Q | 32.9 | Very low | 33.3 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -141.9 | 143.6 | 163.9 | -77.5 | -64.4 | -88.2 | 0 | 0 | 110.1 | ||||
| 125 | A | 34 | Very low | 33 | Very low | 86 Ų | 86 | 130 Ų | 130 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -112.2 | 144.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 126 | M | 30.3 | Very low | 33.2 | Very low | 179 Ų | 179 | 129.4 Ų | 129.4 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -148.2 | 157.3 | 168.8 | -128.1 | 92.7 | -110.2 | 0 | 0 | 111 | ||||
| 127 | S | 29.5 | Very low | 33.2 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -94.5 | 172.6 | -168.8 | -61 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 128 | R | 37.3 | Very low | 33.2 | Very low | 240 Ų | 240 | 131.9 Ų | 131.9 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -81.6 | 142.2 | -176.7 | -52 | 164.3 | 73.4 | -153.1 | 6.5 | 112.3 | ||||
| 129 | S | 29.8 | Very low | 33.6 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -173.6 | 151.9 | 148.9 | -82.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 130 | G | 29.4 | Very low | 33.9 | Very low | 63 Ų | 63 | 135.5 Ų | 135.5 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | cis | 178.3 | -159.6 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 131 | L | 34.9 | Very low | 34.1 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 97% | 0.974 | 80% | 0.798 | S | S | * | * | trans | 80.8 | 140.6 | 178.1 | -50.2 | 174.5 | 0 | 0 | 0 | 115.9 | ||||
| 132 | A | 31.9 | Very low | 34.2 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | cis | -134.5 | 165.6 | 5.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 133 | G | 31 | Very low | 34.4 | Very low | 71 Ų | 71 | 137.4 Ų | 137.4 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | -102.9 | -148 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 134 | P | 52.2 | Low | 34.1 | Very low | 130 Ų | 130 | 140 Ų | 140 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | cis | -117.1 | -147.5 | 1.7 | 33.6 | -11 | 0 | 0 | 0 | 110.2 | ||||
| 135 | S | 27.6 | Very low | 34.6 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | cis | -164.9 | 163.8 | 3.5 | -151.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 136 | L | 35.7 | Very low | 34.6 | Very low | 152 Ų | 152 | 143 Ų | 143 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | 61.6 | 154.2 | 165.4 | -49.4 | -175.3 | 0 | 0 | 0 | 118.2 | ||||
| 137 | E | 31.9 | Very low | 35 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | cis | -162.9 | 141.1 | -32.2 | 176.9 | 162.1 | 100 | 0 | 0 | 109.8 | ||||
| 138 | N | 29.8 | Very low | 35.6 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | 59.8 | 147 | 160.4 | -73 | -24.9 | 0 | 0 | 0 | 124.8 | ||||
| 139 | H | 35.9 | Very low | 35.5 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | 97.3 | 146.9 | 151.2 | -140.1 | -88.1 | 0 | 0 | 0 | 120.5 | ||||
| 140 | M | 40.5 | Very low | 36 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -98 | 153.1 | -176.7 | -57.6 | 162.3 | 69 | 0 | 0 | 110.8 | ||||
| 141 | D | 31.9 | Very low | 36.4 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | 156.5 | 158.5 | 119.2 | -163.1 | -139.5 | 0 | 0 | 0 | 115.1 | |||||
| 142 | M | 34.8 | Very low | 36.3 | Very low | 150 Ų | 150 | 143 Ų | 143 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | 2.3 | 126 | 163.8 | -162.3 | 166.8 | -81.9 | 0 | 0 | 123.3 | ||||
| 143 | S | 39.2 | Very low | 36.8 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 36.4 | 113 | 139.7 | -49.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 144 | H | 35.6 | Very low | 37.2 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | trans | -151.5 | 169.7 | 142 | -159 | 62.1 | 0 | 0 | 0 | 114 | ||||
| 145 | L | 44.1 | Very low | 37.1 | Very low | 139 Ų | 139 | 144 Ų | 144 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | trans | -89.6 | 146 | -178.1 | -61.8 | 159.7 | 0 | 0 | 0 | 112.7 | ||||
| 146 | Q | 34.3 | Very low | 37.9 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | 169.7 | 149.7 | 118.1 | -90.8 | 177.9 | 25 | 0 | 0 | 114.2 | |||||
| 147 | M | 37.4 | Very low | 38.7 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | trans | -84.2 | -178.5 | 167 | -73.4 | -77.6 | -171.3 | 0 | 0 | 109.8 | ||||
| 148 | P | 43.3 | Very low | 39.8 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | cis | -139.6 | 171.2 | 7 | 42.2 | -24.9 | 0 | 0 | 0 | 117.1 | ||||
| 149 | K | 35.2 | Very low | 41.2 | Very low | 208 Ų | 208 | 142.6 Ų | 142.6 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | trans | -158.8 | 143.3 | 142.8 | -104.1 | 133.8 | -171.5 | 170.3 | 0 | 111.1 | ||||
| 150 | H | 39.4 | Very low | 43.2 | Very low | 170 Ų | 170 | 139.1 Ų | 139.1 | 79% | 0.787 | 74% | 0.736 | S | S | * | * | trans | -79 | 159.5 | -177.7 | 84.3 | -26.7 | 0 | 0 | 0 | 112.7 | ||||
| 151 | L | 38.9 | Very low | 45.2 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | trans | -158.2 | 120.6 | 151.6 | -110.2 | 137.9 | 0 | 0 | 0 | 111.2 | ||||
| 152 | S | 31.4 | Very low | 47.9 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | trans | 27 | 104 | 158.3 | -158.7 | 0 | 0 | 0 | 0 | 120 | A154 | S152-A154 PolarHBondContact O-N 3.05Š| ||
| 153 | V | 42.1 | Very low | 50.4 | Low | 143 Ų | 143 | 131.2 Ų | 131.2 | 87% | 0.867 | 70% | 0.696 | S | S | * | * | trans | -78.2 | 105 | 152.8 | 176 | 0 | 0 | 0 | 0 | 108 | ||||
| 154 | A | 40.6 | Very low | 52.9 | Low | 45 Ų | 45 | 129.9 Ų | 129.9 | 37% | 0.372 | 68% | 0.677 | S | S | . | * | trans | -85.8 | 153.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S152 Q156 | S152-A154 PolarHBondContact O-N 3.05Å; A154-Q156 HydrophobicContact CB-CB 4.34Å; A154-Q156 PolarHBondContact O-N 3.11Å | ||
| 155 | P | 49.1 | Very low | 55.6 | Low | 132 Ų | 132 | 121.9 Ų | 121.9 | 86% | 0.857 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -76.4 | 44.9 | 177 | 34.5 | -37.7 | 0 | 0 | 0 | 112.5 | ||
| 156 | Q | 44.5 | Very low | 58 | Low | 154 Ų | 154 | 118.9 Ų | 118.9 | 72% | 0.72 | 62% | 0.623 | S | S | * | * | trans | -105.8 | 0.9 | -169.5 | -149.4 | -169 | -71.3 | 0 | 0 | 114 | A154 | A154-Q156 HydrophobicContact CB-CB 4.34Å; A154-Q156 PolarHBondContact O-N 3.11Å | ||
| 157 | E | 52.6 | Low | 60.9 | Low | 146 Ų | 146 | 115.3 Ų | 115.3 | 68% | 0.682 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -83.7 | -39.5 | 178.5 | -64.4 | -174.2 | 128.8 | 0 | 0 | 112.7 | P159 N160 D161 | E157-P159 VanDerWaalsContact C-CD 3.46Å; E157-N160 WeakPolarHBondContact O-CA 3.28Å; E157-N160 WeakPolarHBondContact O-CB 3.26Å; E157-N160 PolarHBondContact O-N 3.3Å; E157-D161 PolarHBondContact O-N 2.98Å |
| 158 | E | 54.5 | Low | 63.7 | Low | 131 Ų | 131 | 108.3 Ų | 108.3 | 61% | 0.612 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -53.7 | -37.8 | 179.5 | -73 | -104.7 | 133.9 | 0 | 0 | 114.7 | N160 L162 F213 | E158-N160 VanDerWaalsContact C-N 3.33Å; E158-N160 PolarHBondContact O-N 3.29Å; E158-L162 WeakPolarHBondContact O-CB 3.39Å; E158-L162 PolarHBondContact O-N 3.09Å; E158-F213 WeakPolarHBondContact OE1-CE1 3.24Å |
| 159 | P | 61.1 | Low | 66.2 | Low | 81 Ų | 81 | 103.3 Ų | 103.3 | 53% | 0.526 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.6 | -35.4 | 172.2 | -22.8 | 34.4 | 0 | 0 | 0 | 113.7 | E157 E163 | E157-P159 VanDerWaalsContact C-CD 3.46Å; P159-E163 PolarHBondContact O-N 2.9Å |
| 160 | N | 76.9 | Confident | 69.1 | Low | 107 Ų | 107 | 99.1 Ų | 99.1 | 57% | 0.572 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -75.9 | -46.8 | -176.2 | -159.4 | -99.5 | 0 | 0 | 0 | 111 | E157 E158 L162 E163 E164 | E157-N160 WeakPolarHBondContact O-CA 3.28Å; E157-N160 WeakPolarHBondContact O-CB 3.26Å; E157-N160 PolarHBondContact O-N 3.3Å; E158-N160 VanDerWaalsContact C-N 3.33Å; E158-N160 PolarHBondContact O-N 3.29Å; N160-L162 PolarHBondContact O-N 3.26Å; N160-E163 PolarHBondContact O-N 2.84Å; N160-E164 VanDerWaalsContact O-CB 3.3Å; N160-E164 WeakPolarHBondContact O-CB 3.4Å; N160-E164 PolarHBondContact O-N 3.47Å |
| 161 | D | 82.8 | Confident | 71.7 | Confident | 77 Ų | 77 | 92.5 Ų | 92.5 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.9 | -38.9 | 173.7 | -81.4 | -18.7 | 0 | 0 | 0 | 111.8 | E157 L165 F213 | E157-D161 PolarHBondContact O-N 2.98Å; D161-L165 WeakPolarHBondContact O-CB 3.31Å; D161-L165 PolarHBondContact O-N 2.88Å; D161-F213 HydrophobicContact CB-CE2 3.92Å; D161-F213 HydrophobicContact CB-CZ 3.61Å |
| 162 | L | 87.3 | Confident | 74.5 | Confident | 97 Ų | 97 | 84.6 Ų | 84.6 | 51% | 0.508 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.3 | -40.2 | -179.9 | -175 | 62.4 | 0 | 0 | 0 | 112.2 | E158 N160 E166 F213 | E158-L162 WeakPolarHBondContact O-CB 3.39Å; E158-L162 PolarHBondContact O-N 3.09Å; N160-L162 PolarHBondContact O-N 3.26Å; L162-E166 PolarHBondContact O-N 3Å; L162-F213 HydrophobicContact CD1-CD2 4.3Å |
| 163 | E | 88.6 | Confident | 77.6 | Confident | 115 Ų | 115 | 84.6 Ų | 84.6 | 54% | 0.537 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.4 | -45 | 175.8 | -173 | 178.8 | 174.2 | 0 | 0 | 111.5 | P159 N160 L165 E166 Q167 | P159-E163 PolarHBondContact O-N 2.9Å; N160-E163 PolarHBondContact O-N 2.84Å; E163-L165 VanDerWaalsContact C-N 3.26Å; E163-L165 PolarHBondContact O-N 2.94Å; E163-E166 WeakPolarHBondContact O-CB 3.41Å; E163-E166 PolarHBondContact O-N 3.31Å; E163-E166 VanDerWaalsContact O-N 3.08Å; E163-Q167 WeakPolarHBondContact O-CG 3.48Å; E163-Q167 PolarHBondContact O-N 2.89Å; E163-Q167 PolarHBondContact OE1-NE2 2.92Å |
| 164 | E | 91.8 | Very high | 80.1 | Confident | 82 Ų | 82 | 84.6 Ų | 84.6 | 38% | 0.383 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63 | -35.1 | 178.3 | -165.3 | -108.5 | 168.9 | 0 | 0 | 111.4 | N160 Q167 F168 K220 | N160-E164 VanDerWaalsContact O-CB 3.3Å; N160-E164 WeakPolarHBondContact O-CB 3.4Å; N160-E164 PolarHBondContact O-N 3.47Å; E164-Q167 PolarHBondContact O-N 3.37Å; E164-F168 WeakPolarHBondContact O-CB 3.24Å; E164-F168 PolarHBondContact O-N 2.69Å; E164-K220 IonicContact OE1-NZ 3.32Å; E164-K220 PolarHBondContact OE1-NZ 3.18Å; E164-K220 IonicContact OE2-NZ 3.89Å; E164-K220 PolarHBondContact OE2-NZ 3.2Å |
| 165 | L | 92.8 | Very high | 82.7 | Confident | 4 Ų | 4 | 87.6 Ų | 87.6 | 2% | 0.021 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.8 | -34.7 | 171.7 | -178.8 | 67.9 | 0 | 0 | 0 | 113.5 | D161 E163 A169 F206 F213 M216 K220 | D161-L165 WeakPolarHBondContact O-CB 3.31Å; D161-L165 PolarHBondContact O-N 2.88Å; E163-L165 VanDerWaalsContact C-N 3.26Å; E163-L165 PolarHBondContact O-N 2.94Å; L165-A169 WeakPolarHBondContact O-CB 3.5Å; L165-A169 PolarHBondContact O-N 3.29Å; L165-F206 HydrophobicContact CD1-CE2 4.48Å; L165-F206 HydrophobicContact CD1-CZ 4.35Å; L165-F213 HydrophobicContact CD2-CD2 3.86Å; L165-F213 HydrophobicContact CD2-CE2 4.14Å; L165-M216 HydrophobicContact CD1-CB 3.95Å; L165-M216 HydrophobicContact CD1-CE 4.13Å; L165-M216 HydrophobicContact CD2-CB 3.38Å; L165-M216 HydrophobicContact CD2-CE 4.3Å; L165-M216 HydrophobicContact CD2-CG 4.02Å; L165-M216 HydrophobicContact CG-CB 4.12Å; L165-M216 HydrophobicContact CG-CE 4.1Å; L165-K220 HydrophobicContact CD1-CB 4.2Å; L165-K220 HydrophobicContact CD1-CD 4.33Å |
| 166 | E | 93.4 | Very high | 85 | Confident | 75 Ų | 75 | 82.5 Ų | 82.5 | 35% | 0.35 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.3 | -43.6 | 171.5 | 171.6 | 164.1 | 178.9 | 0 | 0 | 111.6 | L162 E163 F168 A169 K170 L209 | L162-E166 PolarHBondContact O-N 3Å; E163-E166 WeakPolarHBondContact O-CB 3.41Å; E163-E166 PolarHBondContact O-N 3.31Å; E163-E166 VanDerWaalsContact O-N 3.08Å; E166-F168 VanDerWaalsContact C-N 3.34Å; E166-A169 PolarHBondContact O-N 2.85Å; E166-K170 HydrophobicContact CG-CD 4.17Å; E166-K170 WeakPolarHBondContact O-CG 3.29Å; E166-K170 PolarHBondContact O-N 3.13Å; E166-K170 WeakPolarHBondContact OE1-CE 3.33Å; E166-K170 IonicContact OE1-NZ 2.98Å; E166-K170 PolarHBondContact OE1-NZ 3.35Å; E166-L209 HydrophobicContact CB-CD1 3.84Å; E166-L209 HydrophobicContact CG-CD1 3.85Å |
| 167 | Q | 94.4 | Very high | 87.3 | Confident | 110 Ų | 110 | 79.7 Ų | 79.7 | 51% | 0.514 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 173.2 | -67.9 | 178.8 | 25.6 | 0 | 0 | 110.6 | E163 E164 K170 A171 | E163-Q167 WeakPolarHBondContact O-CG 3.48Å; E163-Q167 PolarHBondContact O-N 2.89Å; E163-Q167 PolarHBondContact OE1-NE2 2.92Å; E164-Q167 PolarHBondContact O-N 3.37Å; Q167-K170 PolarHBondContact O-N 2.92Å; Q167-A171 WeakPolarHBondContact O-CB 3.48Å; Q167-A171 PolarHBondContact O-N 3.43Å |
| 168 | F | 96.1 | Very high | 89.3 | Confident | 25 Ų | 25 | 81.2 Ų | 81.2 | 11% | 0.11 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 175 | 179.7 | -90.4 | 0 | 0 | 0 | 112.3 | E164 E166 K170 A171 F172 F206 K220 L223 E224 | E164-F168 WeakPolarHBondContact O-CB 3.24Å; E164-F168 PolarHBondContact O-N 2.69Å; E166-F168 VanDerWaalsContact C-N 3.34Å; F168-K170 VanDerWaalsContact C-N 3.31Å; F168-K170 PolarHBondContact O-N 2.92Å; F168-A171 PolarHBondContact O-N 2.93Å; F168-F172 HydrophobicContact CD1-CB 4.46Å; F168-F172 HydrophobicContact CE1-CB 4.05Å; F168-F172 HydrophobicContact CE1-CD2 4.31Å; F168-F172 HydrophobicContact CE1-CG 4.38Å; F168-F172 HydrophobicContact CZ-CB 4.26Å; F168-F172 HydrophobicContact CZ-CD2 4.11Å; F168-F172 WeakPolarHBondContact O-CB 3.42Å; F168-F172 PolarHBondContact O-N 3.02Å; F168-F206 AromaticContact CD1-CE1 3.69Å; F168-F206 HydrophobicContact CD1-CE1 3.69Å; F168-F206 AromaticContact CD1-CZ 3.59Å; F168-F206 HydrophobicContact CD1-CZ 3.59Å; F168-F206 AromaticContact CE1-CE1 3.56Å; F168-F206 HydrophobicContact CE1-CE1 3.56Å; F168-F206 AromaticContact CE1-CZ 3.54Å; F168-F206 HydrophobicContact CE1-CZ 3.54Å; F168-K220 HydrophobicContact CD1-CB 4.49Å; F168-K220 HydrophobicContact CD1-CG 3.9Å; F168-K220 HydrophobicContact CD2-CG 4.22Å; F168-K220 HydrophobicContact CE1-CB 4.47Å; F168-K220 HydrophobicContact CE1-CG 4.05Å; F168-K220 HydrophobicContact CE2-CG 4.36Å; F168-K220 HydrophobicContact CG-CD 4.45Å; F168-K220 HydrophobicContact CG-CG 4Å; F168-K220 HydrophobicContact CZ-CG 4.28Å; F168-L223 HydrophobicContact CE1-CB 4.27Å; F168-L223 HydrophobicContact CZ-CB 4.25Å; F168-E224 HydrophobicContact CE2-CB 3.58Å; F168-E224 HydrophobicContact CE2-CG 3.88Å; F168-E224 HydrophobicContact CZ-CB 3.7Å; F168-E224 HydrophobicContact CZ-CG 4.5Å |
| 169 | A | 96.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 77.3 Ų | 77.3 | 3% | 0.025 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.9 | -37.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L165 E166 K173 F206 L209 | L165-A169 WeakPolarHBondContact O-CB 3.5Å; L165-A169 PolarHBondContact O-N 3.29Å; E166-A169 PolarHBondContact O-N 2.85Å; A169-K173 WeakPolarHBondContact O-CB 3.19Å; A169-K173 PolarHBondContact O-N 2.95Å; A169-K173 VanDerWaalsContact O-N 3.13Å; A169-F206 HydrophobicContact CB-CE1 4.23Å; A169-L209 HydrophobicContact CB-CD2 3.56Å |
| 170 | K | 95.6 | Very high | 92.6 | Very high | 120 Ų | 120 | 75.8 Ų | 75.8 | 52% | 0.522 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.8 | -50.6 | 173.3 | -70.5 | 168.6 | -176.8 | 169 | 0 | 111.6 | E166 Q167 F168 K173 Q174 | E166-K170 HydrophobicContact CG-CD 4.17Å; E166-K170 WeakPolarHBondContact O-CG 3.29Å; E166-K170 PolarHBondContact O-N 3.13Å; E166-K170 WeakPolarHBondContact OE1-CE 3.33Å; E166-K170 IonicContact OE1-NZ 2.98Å; E166-K170 PolarHBondContact OE1-NZ 3.35Å; Q167-K170 PolarHBondContact O-N 2.92Å; F168-K170 VanDerWaalsContact C-N 3.31Å; F168-K170 PolarHBondContact O-N 2.92Å; K170-K173 PolarHBondContact O-N 3.28Å; K170-Q174 WeakPolarHBondContact O-CB 3.45Å; K170-Q174 PolarHBondContact O-N 2.92Å |
| 171 | A | 95.6 | Very high | 93.3 | Very high | 32 Ų | 32 | 74.2 Ų | 74.2 | 26% | 0.264 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q167 F168 Q174 R175 | Q167-A171 WeakPolarHBondContact O-CB 3.48Å; Q167-A171 PolarHBondContact O-N 3.43Å; F168-A171 PolarHBondContact O-N 2.93Å; A171-Q174 PolarHBondContact O-N 3.34Å; A171-R175 WeakPolarHBondContact O-CB 3.45Å; A171-R175 WeakPolarHBondContact O-CG 3.28Å; A171-R175 PolarHBondContact O-N 3.38Å |
| 172 | F | 96.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 74.2 Ų | 74.2 | 0% | 0.004 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.2 | -54.1 | 173.3 | 177.9 | -88.4 | 0 | 0 | 0 | 110.8 | F168 Q174 R175 R176 V186 I203 E207 L223 W226 L227 | F168-F172 HydrophobicContact CD1-CB 4.46Å; F168-F172 HydrophobicContact CE1-CB 4.05Å; F168-F172 HydrophobicContact CE1-CD2 4.31Å; F168-F172 HydrophobicContact CE1-CG 4.38Å; F168-F172 HydrophobicContact CZ-CB 4.26Å; F168-F172 HydrophobicContact CZ-CD2 4.11Å; F168-F172 WeakPolarHBondContact O-CB 3.42Å; F168-F172 PolarHBondContact O-N 3.02Å; F172-Q174 VanDerWaalsContact C-N 3.32Å; F172-Q174 PolarHBondContact O-N 3.36Å; F172-R175 PolarHBondContact O-N 2.86Å; F172-R176 HydrophobicContact CE1-CB 4.37Å; F172-R176 HydrophobicContact CE1-CG 4.39Å; F172-R176 WeakPolarHBondContact O-CB 3.26Å; F172-R176 PolarHBondContact O-N 3.01Å; F172-V186 HydrophobicContact CZ-CG1 3.99Å; F172-V186 HydrophobicContact CZ-CG2 4.38Å; F172-I203 HydrophobicContact CE1-CG2 4.09Å; F172-E207 HydrophobicContact CD1-CG 4.16Å; F172-E207 HydrophobicContact CE1-CG 4.45Å; F172-L223 HydrophobicContact CD2-CB 3.95Å; F172-L223 HydrophobicContact CE2-CB 3.65Å; F172-L223 HydrophobicContact CE2-CD2 4.14Å; F172-L223 HydrophobicContact CE2-CG 4.34Å; F172-L223 WeakPolarHBondContact CE2-O 3.37Å; F172-L223 HydrophobicContact CZ-CB 4.27Å; F172-L223 HydrophobicContact CZ-CD2 3.96Å; F172-L223 HydrophobicContact CZ-CG 4.49Å; F172-W226 AromaticContact CE2-CE3 3.8Å; F172-W226 HydrophobicContact CE2-CE3 3.8Å; F172-W226 HydrophobicContact CE2-CZ3 4.09Å; F172-W226 HydrophobicContact CZ-CE3 4.04Å; F172-W226 HydrophobicContact CZ-CZ3 4.06Å; F172-L227 HydrophobicContact CB-CD2 4.47Å; F172-L227 HydrophobicContact CD2-CB 4.34Å; F172-L227 HydrophobicContact CD2-CD1 4.21Å; F172-L227 HydrophobicContact CD2-CD2 3.94Å; F172-L227 HydrophobicContact CD2-CG 4.43Å; F172-L227 HydrophobicContact CE2-CB 4.39Å; F172-L227 HydrophobicContact CE2-CD1 4.22Å |
| 173 | K | 96.3 | Very high | 94.2 | Very high | 96 Ų | 96 | 71.4 Ų | 71.4 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.3 | -44.3 | 179 | -175.9 | -177.8 | -176.8 | -178.5 | 0 | 111.8 | A169 K170 I177 E207 | A169-K173 WeakPolarHBondContact O-CB 3.19Å; A169-K173 PolarHBondContact O-N 2.95Å; A169-K173 VanDerWaalsContact O-N 3.13Å; K170-K173 PolarHBondContact O-N 3.28Å; K173-I177 HydrophobicContact CG-CD1 3.99Å; K173-I177 WeakPolarHBondContact O-CB 3.4Å; K173-I177 WeakPolarHBondContact O-CD1 3.47Å; K173-I177 VanDerWaalsContact O-CG1 3.22Å; K173-I177 WeakPolarHBondContact O-CG1 3.42Å; K173-I177 PolarHBondContact O-N 3.3Å; K173-I177 VanDerWaalsContact O-N 3.08Å; K173-E207 HydrophobicContact CB-CG 4.06Å; K173-E207 HydrophobicContact CD-CB 4.32Å; K173-E207 HydrophobicContact CG-CG 4.32Å |
| 174 | Q | 95.6 | Very high | 94.3 | Very high | 144 Ų | 144 | 67.5 Ų | 67.5 | 67% | 0.673 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.7 | -49.5 | 179.9 | -176.3 | 179.5 | -2.9 | 0 | 0 | 112.1 | K170 A171 F172 I177 K178 | K170-Q174 WeakPolarHBondContact O-CB 3.45Å; K170-Q174 PolarHBondContact O-N 2.92Å; A171-Q174 PolarHBondContact O-N 3.34Å; F172-Q174 VanDerWaalsContact C-N 3.32Å; F172-Q174 PolarHBondContact O-N 3.36Å; Q174-I177 PolarHBondContact O-N 3.1Å; Q174-K178 WeakPolarHBondContact O-CB 3.25Å; Q174-K178 PolarHBondContact O-N 3.31Å |
| 175 | R | 95.5 | Very high | 94.3 | Very high | 108 Ų | 108 | 66.8 Ų | 66.8 | 41% | 0.408 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 179.1 | -68.7 | 166.9 | 179.7 | -158.2 | 19.6 | 111.7 | A171 F172 I177 K178 L179 L227 E231 | A171-R175 WeakPolarHBondContact O-CB 3.45Å; A171-R175 WeakPolarHBondContact O-CG 3.28Å; A171-R175 PolarHBondContact O-N 3.38Å; F172-R175 PolarHBondContact O-N 2.86Å; R175-I177 VanDerWaalsContact C-N 3.32Å; R175-I177 PolarHBondContact O-N 2.8Å; R175-K178 WeakPolarHBondContact O-CB 3.48Å; R175-K178 PolarHBondContact O-N 3.42Å; R175-K178 VanDerWaalsContact O-N 3.11Å; R175-L179 WeakPolarHBondContact O-CG 3.43Å; R175-L179 PolarHBondContact O-N 2.83Å; R175-L227 HydrophobicContact CB-CD1 3.88Å; R175-L227 HydrophobicContact CB-CD2 3.98Å; R175-L227 HydrophobicContact CB-CG 4.23Å; R175-L227 VanDerWaalsContact CD-CD2 3.43Å; R175-L227 HydrophobicContact CG-CD2 4.38Å; R175-E231 VanDerWaalsContact CD-OE1 3.31Å; R175-E231 WeakPolarHBondContact CD-OE1 3.46Å; R175-E231 WeakPolarHBondContact CG-OE1 3.34Å; R175-E231 IonicContact CZ-OE2 2.62Å; R175-E231 IonicContact NE-OE1 3.64Å; R175-E231 IonicContact NE-OE2 2.65Å; R175-E231 IonicContact NH1-OE1 3.88Å; R175-E231 IonicContact NH1-OE2 2.61Å; R175-E231 PolarHBondContact NH1-OE2 3.17Å |
| 176 | R | 95.4 | Very high | 94.3 | Very high | 25 Ų | 25 | 66.6 Ų | 66.6 | 9% | 0.094 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.3 | -43.5 | 174 | -167.2 | -140.9 | 83.6 | -144.2 | 1.6 | 112.1 | F172 G180 F181 V186 E207 W226 | F172-R176 HydrophobicContact CE1-CB 4.37Å; F172-R176 HydrophobicContact CE1-CG 4.39Å; F172-R176 WeakPolarHBondContact O-CB 3.26Å; F172-R176 PolarHBondContact O-N 3.01Å; R176-G180 PolarHBondContact O-N 3.17Å; R176-F181 HydrophobicContact CG-CB 4.07Å; R176-F181 PolarHBondContact NE-O 2.91Å; R176-F181 PolarHBondContact NH2-O 3.21Å; R176-F181 PolarHBondContact O-N 3.07Å; R176-F181 VanDerWaalsContact O-N 3.08Å; R176-V186 HydrophobicContact CG-CG2 3.58Å; R176-E207 WeakPolarHBondContact CD-OE1 3.43Å; R176-E207 IonicContact CZ-OE1 3.82Å; R176-E207 IonicContact NE-OE1 2.72Å; R176-E207 IonicContact NH1-OE1 3.91Å; R176-E207 PolarHBondContact NH1-OE1 2.78Å; R176-E207 IonicContact NH1-OE2 2.74Å; R176-E207 PolarHBondContact NH1-OE2 3.05Å; R176-W226 HydrophobicContact CG-CH2 4.27Å; R176-W226 HydrophobicContact CG-CZ3 4.18Å |
| 177 | I | 93.9 | Very high | 94.3 | Very high | 95 Ų | 95 | 63.1 Ų | 63.1 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.8 | -42.2 | 174.7 | -68.6 | 166.3 | 0 | 0 | 0 | 111.2 | K173 Q174 R175 L179 G180 | K173-I177 HydrophobicContact CG-CD1 3.99Å; K173-I177 WeakPolarHBondContact O-CB 3.4Å; K173-I177 WeakPolarHBondContact O-CD1 3.47Å; K173-I177 VanDerWaalsContact O-CG1 3.22Å; K173-I177 WeakPolarHBondContact O-CG1 3.42Å; K173-I177 PolarHBondContact O-N 3.3Å; K173-I177 VanDerWaalsContact O-N 3.08Å; Q174-I177 PolarHBondContact O-N 3.1Å; R175-I177 VanDerWaalsContact C-N 3.32Å; R175-I177 PolarHBondContact O-N 2.8Å; I177-L179 VanDerWaalsContact C-N 3.27Å; I177-L179 PolarHBondContact O-N 3Å; I177-G180 PolarHBondContact O-N 3Å |
| 178 | K | 94.5 | Very high | 94 | Very high | 178 Ų | 178 | 63.7 Ų | 63.7 | 77% | 0.774 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.4 | -35.3 | 177.8 | -173.9 | -171.5 | 174.2 | -165.9 | 0 | 112.7 | Q174 R175 G180 | Q174-K178 WeakPolarHBondContact O-CB 3.25Å; Q174-K178 PolarHBondContact O-N 3.31Å; R175-K178 WeakPolarHBondContact O-CB 3.48Å; R175-K178 PolarHBondContact O-N 3.42Å; R175-K178 VanDerWaalsContact O-N 3.11Å; K178-G180 VanDerWaalsContact C-N 3.27Å |
| 179 | L | 92.3 | Very high | 93.7 | Very high | 48 Ų | 48 | 64 Ų | 64 | 25% | 0.251 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -1.4 | 174 | -67.1 | 170.3 | 0 | 0 | 0 | 113.6 | R175 I177 F181 L227 A230 E231 | R175-L179 WeakPolarHBondContact O-CG 3.43Å; R175-L179 PolarHBondContact O-N 2.83Å; I177-L179 VanDerWaalsContact C-N 3.27Å; I177-L179 PolarHBondContact O-N 3Å; L179-F181 VanDerWaalsContact C-N 3.3Å; L179-F181 HydrophobicContact CB-CD2 3.58Å; L179-F181 HydrophobicContact CB-CE2 3.87Å; L179-F181 HydrophobicContact CD1-CD2 4.27Å; L179-F181 HydrophobicContact CD1-CE2 4.26Å; L179-F181 PolarHBondContact O-N 3.34Å; L179-L227 HydrophobicContact CD1-CD1 4.44Å; L179-A230 HydrophobicContact CD1-CB 4.09Å; L179-E231 HydrophobicContact CD1-CG 3.89Å |
| 180 | G | 92 | Very high | 93.3 | Very high | 49 Ų | 49 | 63.9 Ų | 63.9 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -1.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | R176 I177 K178 | R176-G180 PolarHBondContact O-N 3.17Å; I177-G180 PolarHBondContact O-N 3Å; K178-G180 VanDerWaalsContact C-N 3.27Å |
| 181 | F | 93 | Very high | 92.8 | Very high | 75 Ų | 75 | 58.5 Ų | 58.5 | 33% | 0.329 | 31% | 0.311 | S | S | . | . | trans | -73.1 | 136.1 | -176.9 | -69.3 | -68 | 0 | 0 | 0 | 112.8 | R176 L179 D185 W226 A230 | R176-F181 HydrophobicContact CG-CB 4.07Å; R176-F181 PolarHBondContact NE-O 2.91Å; R176-F181 PolarHBondContact NH2-O 3.21Å; R176-F181 PolarHBondContact O-N 3.07Å; R176-F181 VanDerWaalsContact O-N 3.08Å; L179-F181 VanDerWaalsContact C-N 3.3Å; L179-F181 HydrophobicContact CB-CD2 3.58Å; L179-F181 HydrophobicContact CB-CE2 3.87Å; L179-F181 HydrophobicContact CD1-CD2 4.27Å; L179-F181 HydrophobicContact CD1-CE2 4.26Å; L179-F181 PolarHBondContact O-N 3.34Å; F181-D185 HydrophobicContact CD1-CB 3.98Å; F181-W226 HydrophobicContact CB-CH2 4.12Å; F181-W226 HydrophobicContact CD1-CZ2 4.47Å; F181-W226 AromaticContact CD2-CH2 3.57Å; F181-W226 HydrophobicContact CD2-CH2 3.57Å; F181-W226 AromaticContact CD2-CZ2 3.9Å; F181-W226 HydrophobicContact CD2-CZ2 3.9Å; F181-W226 HydrophobicContact CE2-CH2 4.14Å; F181-W226 HydrophobicContact CE2-CZ2 4.11Å; F181-W226 AromaticContact CG-CH2 3.89Å; F181-W226 HydrophobicContact CG-CH2 3.89Å; F181-W226 HydrophobicContact CG-CZ2 4.09Å; F181-W226 HydrophobicContact CZ-CZ2 4.49Å; F181-A230 HydrophobicContact CE2-CB 4.2Å | ||
| 182 | T | 94.8 | Very high | 92.2 | Very high | 76 Ų | 76 | 66.1 Ų | 66.1 | 47% | 0.466 | 34% | 0.338 | S | S | . | . | trans | -80.8 | 163.2 | 167.3 | 79.7 | 0 | 0 | 0 | 0 | 111 | G184 D185 V186 | T182-G184 PolarHBondContact O-N 2.9Å; T182-G184 PolarHBondContact OG1-N 2.75Å; T182-G184 VanDerWaalsContact OG1-N 3.16Å; T182-D185 WeakPolarHBondContact CA-OD2 3.37Å; T182-D185 WeakPolarHBondContact CB-OD2 3.31Å; T182-D185 VanDerWaalsContact CG2-OD2 3.31Å; T182-D185 WeakPolarHBondContact CG2-OD2 3.42Å; T182-D185 PolarHBondContact N-OD2 3.34Å; T182-D185 PolarHBondContact O-N 3.15Å; T182-D185 PolarHBondContact OG1-N 2.81Å; T182-D185 PolarHBondContact OG1-OD2 3.47Å; T182-V186 WeakPolarHBondContact O-CG2 3.45Å; T182-V186 PolarHBondContact O-N 2.89Å | ||
| 183 | Q | 93.4 | Very high | 91.3 | Very high | 39 Ų | 39 | 70.6 Ų | 70.6 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.9 | -19.5 | 171.9 | -68.4 | 171.9 | -19.2 | 0 | 0 | 113.3 | Q200 I203 E207 | Q183-Q200 HydrophobicContact CB-CB 4.44Å; Q183-Q200 HydrophobicContact CB-CG 3.85Å; Q183-I203 HydrophobicContact CB-CB 4.16Å; Q183-I203 HydrophobicContact CB-CG2 4.2Å; Q183-I203 HydrophobicContact CG-CB 4.37Å; Q183-I203 HydrophobicContact CG-CG2 4.03Å; Q183-E207 PolarHBondContact NE2-OE2 3.15Å |
| 184 | G | 91.3 | Very high | 90.6 | Very high | 32 Ų | 32 | 70 Ų | 70 | 33% | 0.33 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -75 | -44 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | T182 G187 L188 | T182-G184 PolarHBondContact O-N 2.9Å; T182-G184 PolarHBondContact OG1-N 2.75Å; T182-G184 VanDerWaalsContact OG1-N 3.16Å; G184-G187 WeakPolarHBondContact O-CA 3.37Å; G184-G187 PolarHBondContact O-N 3.03Å; G184-L188 PolarHBondContact O-N 3.26Å |
| 185 | D | 91.9 | Very high | 89.7 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | -177 | -47.4 | -47.4 | 0 | 0 | 0 | 111.3 | F181 T182 G187 L188 A189 | F181-D185 HydrophobicContact CD1-CB 3.98Å; T182-D185 WeakPolarHBondContact CA-OD2 3.37Å; T182-D185 WeakPolarHBondContact CB-OD2 3.31Å; T182-D185 VanDerWaalsContact CG2-OD2 3.31Å; T182-D185 WeakPolarHBondContact CG2-OD2 3.42Å; T182-D185 PolarHBondContact N-OD2 3.34Å; T182-D185 PolarHBondContact O-N 3.15Å; T182-D185 PolarHBondContact OG1-N 2.81Å; T182-D185 PolarHBondContact OG1-OD2 3.47Å; D185-G187 VanDerWaalsContact C-N 3.27Å; D185-G187 PolarHBondContact O-N 2.9Å; D185-L188 PolarHBondContact O-N 3.29Å; D185-A189 VanDerWaalsContact O-CB 3.26Å; D185-A189 WeakPolarHBondContact O-CB 3.19Å; D185-A189 PolarHBondContact O-N 3.22Å |
| 186 | V | 93 | Very high | 88.9 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -52.9 | -48.2 | 168.9 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | F172 R176 T182 L188 A189 M190 I203 L223 W226 | F172-V186 HydrophobicContact CZ-CG1 3.99Å; F172-V186 HydrophobicContact CZ-CG2 4.38Å; R176-V186 HydrophobicContact CG-CG2 3.58Å; T182-V186 WeakPolarHBondContact O-CG2 3.45Å; T182-V186 PolarHBondContact O-N 2.89Å; V186-L188 VanDerWaalsContact C-N 3.33Å; V186-L188 PolarHBondContact O-N 2.88Å; V186-A189 PolarHBondContact O-N 2.66Å; V186-M190 HydrophobicContact CG1-CG 4.25Å; V186-M190 VanDerWaalsContact O-CB 3.28Å; V186-M190 WeakPolarHBondContact O-CB 3.33Å; V186-M190 WeakPolarHBondContact O-CG 3.35Å; V186-M190 PolarHBondContact O-N 3.34Å; V186-I203 HydrophobicContact CB-CD1 4.45Å; V186-I203 HydrophobicContact CB-CG1 4.24Å; V186-I203 HydrophobicContact CB-CG2 4.46Å; V186-I203 HydrophobicContact CG1-CD1 3.69Å; V186-I203 HydrophobicContact CG1-CG1 4Å; V186-I203 HydrophobicContact CG1-CG2 4.28Å; V186-L223 HydrophobicContact CG1-CD2 4.04Å; V186-W226 HydrophobicContact CG1-CD2 4.42Å; V186-W226 HydrophobicContact CG1-CE3 4.29Å; V186-W226 HydrophobicContact CG1-CZ3 4.46Å; V186-W226 HydrophobicContact CG2-CE3 4.4Å; V186-W226 HydrophobicContact CG2-CH2 3.59Å; V186-W226 HydrophobicContact CG2-CZ2 4.05Å; V186-W226 HydrophobicContact CG2-CZ3 3.78Å |
| 187 | G | 91.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.2 | -39.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G184 D185 G191 F198 | G184-G187 WeakPolarHBondContact O-CA 3.37Å; G184-G187 PolarHBondContact O-N 3.03Å; D185-G187 VanDerWaalsContact C-N 3.27Å; D185-G187 PolarHBondContact O-N 2.9Å; G187-G191 PolarHBondContact O-N 2.66Å; G187-G191 VanDerWaalsContact O-N 3.15Å; G187-F198 CarbonylContact C-O 3.4Å; G187-F198 WeakPolarHBondContact CA-O 3.41Å; G187-F198 PolarHBondContact O-N 2.77Å |
| 188 | L | 89.1 | Confident | 88 | Confident | 122 Ų | 122 | 62.5 Ų | 62.5 | 64% | 0.639 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -75.4 | -44.8 | 177.7 | -177.2 | 62.5 | 0 | 0 | 0 | 112.5 | G184 D185 V186 M190 G191 K192 | G184-L188 PolarHBondContact O-N 3.26Å; D185-L188 PolarHBondContact O-N 3.29Å; V186-L188 VanDerWaalsContact C-N 3.33Å; V186-L188 PolarHBondContact O-N 2.88Å; L188-M190 VanDerWaalsContact C-N 3.25Å; L188-M190 PolarHBondContact O-N 2.87Å; L188-G191 WeakPolarHBondContact O-CA 3.46Å; L188-G191 PolarHBondContact O-N 2.9Å; L188-K192 PolarHBondContact O-N 3.37Å; L188-K192 VanDerWaalsContact O-N 3.08Å |
| 189 | A | 88.9 | Confident | 87.7 | Confident | 32 Ų | 32 | 56.7 Ų | 56.7 | 26% | 0.264 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.4 | -37.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D185 V186 K192 L193 | D185-A189 VanDerWaalsContact O-CB 3.26Å; D185-A189 WeakPolarHBondContact O-CB 3.19Å; D185-A189 PolarHBondContact O-N 3.22Å; V186-A189 PolarHBondContact O-N 2.66Å; A189-K192 WeakPolarHBondContact O-CB 3.49Å; A189-K192 PolarHBondContact O-N 2.74Å; A189-L193 PolarHBondContact O-N 2.98Å |
| 190 | M | 88.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.9 | -30.8 | 172.2 | -68.5 | -83.6 | 73.4 | 0 | 0 | 113.8 | V186 L188 K192 L193 Y194 F198 L223 W226 | V186-M190 HydrophobicContact CG1-CG 4.25Å; V186-M190 VanDerWaalsContact O-CB 3.28Å; V186-M190 WeakPolarHBondContact O-CB 3.33Å; V186-M190 WeakPolarHBondContact O-CG 3.35Å; V186-M190 PolarHBondContact O-N 3.34Å; L188-M190 VanDerWaalsContact C-N 3.25Å; L188-M190 PolarHBondContact O-N 2.87Å; M190-K192 VanDerWaalsContact C-N 3.33Å; M190-L193 HydrophobicContact CE-CB 3.89Å; M190-L193 HydrophobicContact CE-CD1 3.75Å; M190-L193 HydrophobicContact CE-CG 4.48Å; M190-L193 PolarHBondContact O-N 3.06Å; M190-Y194 HydrophobicContact CE-CD2 3.36Å; M190-Y194 HydrophobicContact CE-CE2 3.16Å; M190-Y194 HydrophobicContact CE-CG 4.49Å; M190-Y194 PolarHBondContact O-N 2.78Å; M190-Y194 HydrophobicContact SD-CD2 3.66Å; M190-Y194 HydrophobicContact SD-CE2 3.55Å; M190-Y194 VanDerWaalsContact SD-CE2 3.55Å; M190-F198 HydrophobicContact CB-CD2 3.64Å; M190-F198 HydrophobicContact CB-CE2 4.2Å; M190-F198 HydrophobicContact CG-CD2 4.15Å; M190-L223 HydrophobicContact SD-CD2 4.38Å; M190-W226 HydrophobicContact CE-CB 3.5Å; M190-W226 VanDerWaalsContact CE-CB 3.5Å; M190-W226 HydrophobicContact CE-CG 3.76Å; M190-W226 HydrophobicContact CG-CG 4.35Å; M190-W226 HydrophobicContact SD-CB 3.68Å; M190-W226 HydrophobicContact SD-CG 4.04Å |
| 191 | G | 85.9 | Confident | 87.8 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G187 L188 G195 | G187-G191 PolarHBondContact O-N 2.66Å; G187-G191 VanDerWaalsContact O-N 3.15Å; L188-G191 WeakPolarHBondContact O-CA 3.46Å; L188-G191 PolarHBondContact O-N 2.9Å; G191-G195 WeakPolarHBondContact O-CA 3.46Å; G191-G195 PolarHBondContact O-N 2.86Å |
| 192 | K | 81.8 | Confident | 87.8 | Confident | 192 Ų | 192 | 57.4 Ų | 57.4 | 84% | 0.835 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67 | -40.5 | 177.2 | -171.3 | 179.2 | 179.1 | -177.4 | 0 | 113.1 | L188 A189 M190 | L188-K192 PolarHBondContact O-N 3.37Å; L188-K192 VanDerWaalsContact O-N 3.08Å; A189-K192 WeakPolarHBondContact O-CB 3.49Å; A189-K192 PolarHBondContact O-N 2.74Å; M190-K192 VanDerWaalsContact C-N 3.33Å |
| 193 | L | 77.8 | Confident | 87.8 | Confident | 95 Ų | 95 | 53.8 Ų | 53.8 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -84.9 | -33.3 | -174.9 | -73.7 | 164 | 0 | 0 | 0 | 114.4 | A189 M190 | A189-L193 PolarHBondContact O-N 2.98Å; M190-L193 HydrophobicContact CE-CB 3.89Å; M190-L193 HydrophobicContact CE-CD1 3.75Å; M190-L193 HydrophobicContact CE-CG 4.48Å; M190-L193 PolarHBondContact O-N 3.06Å |
| 194 | Y | 81.2 | Confident | 88 | Confident | 85 Ų | 85 | 54 Ų | 54 | 33% | 0.333 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -119.8 | 9.9 | -176.8 | -60.9 | -52.9 | 0 | 0 | 0 | 114.3 | M190 N196 L222 K225 | M190-Y194 HydrophobicContact CE-CD2 3.36Å; M190-Y194 HydrophobicContact CE-CE2 3.16Å; M190-Y194 HydrophobicContact CE-CG 4.49Å; M190-Y194 PolarHBondContact O-N 2.78Å; M190-Y194 HydrophobicContact SD-CD2 3.66Å; M190-Y194 HydrophobicContact SD-CE2 3.55Å; M190-Y194 VanDerWaalsContact SD-CE2 3.55Å; Y194-N196 VanDerWaalsContact C-N 3.29Å; Y194-N196 PolarHBondContact O-N 3.02Å; Y194-L222 HydrophobicContact CD1-CD2 4.24Å; Y194-L222 HydrophobicContact CD2-CB 4.13Å; Y194-L222 HydrophobicContact CD2-CD2 3.93Å; Y194-L222 HydrophobicContact CD2-CG 4.45Å; Y194-L222 HydrophobicContact CE1-CD2 4Å; Y194-L222 HydrophobicContact CE2-CB 3.65Å; Y194-L222 HydrophobicContact CE2-CD2 3.66Å; Y194-L222 HydrophobicContact CE2-CG 4.21Å; Y194-L222 HydrophobicContact CG-CD2 4.22Å; Y194-K225 WeakPolarHBondContact OH-CB 3.47Å |
| 195 | G | 76.7 | Confident | 88.2 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 69% | 0.691 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 70.8 | 14.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | G191 | G191-G195 WeakPolarHBondContact O-CA 3.46Å; G191-G195 PolarHBondContact O-N 2.86Å |
| 196 | N | 79.4 | Confident | 88.4 | Confident | 71 Ų | 71 | 55.2 Ų | 55.2 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -152.1 | 99.5 | -176.9 | 179.1 | 23.6 | 0 | 0 | 0 | 111.5 | Y194 F198 R255 | Y194-N196 VanDerWaalsContact C-N 3.29Å; Y194-N196 PolarHBondContact O-N 3.02Å; N196-F198 PolarHBondContact O-N 3.05Å; N196-R255 WeakPolarHBondContact OD1-CD 3.15Å; N196-R255 PolarHBondContact OD1-NH1 3.42Å |
| 197 | D | 82.8 | Confident | 88.5 | Confident | 45 Ų | 45 | 56 Ų | 56 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -50.7 | 117.7 | -178.6 | -37.9 | -46.3 | 0 | 0 | 0 | 111.3 | R255 | D197-R255 HydrophobicContact CB-CB 4.22Å; D197-R255 WeakPolarHBondContact O-CD 3.31Å; D197-R255 PolarHBondContact O-NH1 2.98Å; D197-R255 VanDerWaalsContact OD2-CB 3.24Å; D197-R255 WeakPolarHBondContact OD2-CB 3.27Å; D197-R255 PolarHBondContact OD2-N 2.87Å |
| 198 | F | 88.3 | Confident | 88.7 | Confident | 31 Ų | 31 | 58.1 Ų | 58.1 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 144 | 167.6 | -70.4 | -61.8 | 0 | 0 | 0 | 109.3 | G187 M190 N196 T202 I203 L219 L222 | G187-F198 CarbonylContact C-O 3.4Å; G187-F198 WeakPolarHBondContact CA-O 3.41Å; G187-F198 PolarHBondContact O-N 2.77Å; M190-F198 HydrophobicContact CB-CD2 3.64Å; M190-F198 HydrophobicContact CB-CE2 4.2Å; M190-F198 HydrophobicContact CG-CD2 4.15Å; N196-F198 PolarHBondContact O-N 3.05Å; F198-T202 HydrophobicContact CB-CG2 4.49Å; F198-T202 HydrophobicContact CD1-CG2 3.87Å; F198-T202 HydrophobicContact CG-CG2 4.39Å; F198-I203 HydrophobicContact CB-CD1 4.04Å; F198-L219 HydrophobicContact CD1-CD2 4.33Å; F198-L219 HydrophobicContact CE1-CD2 3.62Å; F198-L219 HydrophobicContact CE2-CD2 4.12Å; F198-L219 HydrophobicContact CZ-CD2 3.51Å; F198-L222 HydrophobicContact CE2-CD1 4.26Å; F198-L222 HydrophobicContact CZ-CD1 4.02Å |
| 199 | S | 87.8 | Confident | 88.9 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 153.9 | 172.8 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | T201 T202 I203 | S199-T201 PolarHBondContact O-N 3.36Å; S199-T202 WeakPolarHBondContact O-CA 3.24Å; S199-T202 WeakPolarHBondContact O-CB 3.29Å; S199-T202 PolarHBondContact O-N 3.49Å; S199-T202 PolarHBondContact OG-N 3.49Å; S199-T202 PolarHBondContact OG-OG1 3Å; S199-I203 PolarHBondContact O-N 3.31Å |
| 200 | Q | 92.1 | Very high | 89.1 | Confident | 88 Ų | 88 | 58.7 Ų | 58.7 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -43.4 | -41 | 166.1 | 171.1 | -78 | -23.9 | 0 | 0 | 111.4 | Q183 T202 I203 S204 | Q183-Q200 HydrophobicContact CB-CB 4.44Å; Q183-Q200 HydrophobicContact CB-CG 3.85Å; Q200-T202 VanDerWaalsContact C-N 3.32Å; Q200-T202 PolarHBondContact O-N 3.11Å; Q200-I203 PolarHBondContact O-N 2.85Å; Q200-S204 WeakPolarHBondContact O-CB 3.46Å; Q200-S204 PolarHBondContact O-N 3.13Å |
| 201 | T | 94.1 | Very high | 89.2 | Confident | 70 Ų | 70 | 60.9 Ų | 60.9 | 43% | 0.429 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70.6 | -25 | -178.6 | -39.1 | 0 | 0 | 0 | 0 | 113 | S199 R205 | S199-T201 PolarHBondContact O-N 3.36Å; T201-R205 VanDerWaalsContact O-CB 3.31Å; T201-R205 WeakPolarHBondContact O-CB 3.32Å; T201-R205 WeakPolarHBondContact O-CD 3.38Å; T201-R205 WeakPolarHBondContact O-CG 3.4Å; T201-R205 PolarHBondContact O-N 2.91Å |
| 202 | T | 94.3 | Very high | 89.5 | Confident | 30 Ų | 30 | 64 Ų | 64 | 18% | 0.184 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.3 | -49.6 | 169.2 | -58.9 | 0 | 0 | 0 | 0 | 110.3 | F198 S199 Q200 R205 F206 L219 | F198-T202 HydrophobicContact CB-CG2 4.49Å; F198-T202 HydrophobicContact CD1-CG2 3.87Å; F198-T202 HydrophobicContact CG-CG2 4.39Å; S199-T202 WeakPolarHBondContact O-CA 3.24Å; S199-T202 WeakPolarHBondContact O-CB 3.29Å; S199-T202 PolarHBondContact O-N 3.49Å; S199-T202 PolarHBondContact OG-N 3.49Å; S199-T202 PolarHBondContact OG-OG1 3Å; Q200-T202 VanDerWaalsContact C-N 3.32Å; Q200-T202 PolarHBondContact O-N 3.11Å; T202-R205 PolarHBondContact O-N 3.47Å; T202-F206 PolarHBondContact O-N 3.13Å; T202-L219 HydrophobicContact CG2-CD1 3.93Å; T202-L219 HydrophobicContact CG2-CD2 4.47Å |
| 203 | I | 94.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 179.7 | -49.4 | -53.7 | 0 | 0 | 0 | 110.5 | F172 Q183 V186 F198 S199 Q200 R205 F206 E207 L223 | F172-I203 HydrophobicContact CE1-CG2 4.09Å; Q183-I203 HydrophobicContact CB-CB 4.16Å; Q183-I203 HydrophobicContact CB-CG2 4.2Å; Q183-I203 HydrophobicContact CG-CB 4.37Å; Q183-I203 HydrophobicContact CG-CG2 4.03Å; V186-I203 HydrophobicContact CB-CD1 4.45Å; V186-I203 HydrophobicContact CB-CG1 4.24Å; V186-I203 HydrophobicContact CB-CG2 4.46Å; V186-I203 HydrophobicContact CG1-CD1 3.69Å; V186-I203 HydrophobicContact CG1-CG1 4Å; V186-I203 HydrophobicContact CG1-CG2 4.28Å; F198-I203 HydrophobicContact CB-CD1 4.04Å; S199-I203 PolarHBondContact O-N 3.31Å; Q200-I203 PolarHBondContact O-N 2.85Å; I203-R205 VanDerWaalsContact C-N 3.29Å; I203-R205 PolarHBondContact O-N 3.43Å; I203-F206 WeakPolarHBondContact O-CB 3.47Å; I203-F206 PolarHBondContact O-N 2.78Å; I203-F206 VanDerWaalsContact O-N 3.13Å; I203-E207 HydrophobicContact CG2-CG 4.48Å; I203-E207 WeakPolarHBondContact CG2-OE1 3.16Å; I203-E207 WeakPolarHBondContact O-CG 3.25Å; I203-E207 PolarHBondContact O-N 3.05Å; I203-L223 HydrophobicContact CD1-CD2 3.9Å |
| 204 | S | 96.2 | Very high | 90.4 | Very high | 42 Ų | 42 | 61.9 Ų | 61.9 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.3 | -31.4 | 176.9 | -171.8 | 0 | 0 | 0 | 0 | 114.1 | Q200 A208 | Q200-S204 WeakPolarHBondContact O-CB 3.46Å; Q200-S204 PolarHBondContact O-N 3.13Å; S204-A208 VanDerWaalsContact O-CB 3.3Å; S204-A208 WeakPolarHBondContact O-CB 3.42Å; S204-A208 PolarHBondContact O-N 3.02Å |
| 205 | R | 95.8 | Very high | 91 | Very high | 126 Ų | 126 | 61.9 Ų | 61.9 | 48% | 0.475 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -78 | -31 | 175.5 | -77.5 | 173.1 | 173.1 | -81.9 | -7.1 | 112.2 | T201 T202 I203 L209 N210 L211 | T201-R205 VanDerWaalsContact O-CB 3.31Å; T201-R205 WeakPolarHBondContact O-CB 3.32Å; T201-R205 WeakPolarHBondContact O-CD 3.38Å; T201-R205 WeakPolarHBondContact O-CG 3.4Å; T201-R205 PolarHBondContact O-N 2.91Å; T202-R205 PolarHBondContact O-N 3.47Å; I203-R205 VanDerWaalsContact C-N 3.29Å; I203-R205 PolarHBondContact O-N 3.43Å; R205-L209 PolarHBondContact O-N 2.99Å; R205-N210 HydrophobicContact CB-CB 4.47Å; R205-N210 HydrophobicContact CG-CB 4.45Å; R205-N210 PolarHBondContact NH1-O 2.91Å; R205-N210 PolarHBondContact O-N 3.3Å; R205-L211 HydrophobicContact CB-CD1 4.37Å; R205-L211 HydrophobicContact CB-CD2 3.66Å; R205-L211 HydrophobicContact CB-CG 3.81Å; R205-L211 HydrophobicContact CG-CD2 4.43Å |
| 206 | F | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66 | -52.1 | 172.1 | -175.4 | -87 | 0 | 0 | 0 | 110.6 | L165 F168 A169 T202 I203 A208 L209 L211 M216 L219 K220 L223 | L165-F206 HydrophobicContact CD1-CE2 4.48Å; L165-F206 HydrophobicContact CD1-CZ 4.35Å; F168-F206 AromaticContact CD1-CE1 3.69Å; F168-F206 HydrophobicContact CD1-CE1 3.69Å; F168-F206 AromaticContact CD1-CZ 3.59Å; F168-F206 HydrophobicContact CD1-CZ 3.59Å; F168-F206 AromaticContact CE1-CE1 3.56Å; F168-F206 HydrophobicContact CE1-CE1 3.56Å; F168-F206 AromaticContact CE1-CZ 3.54Å; F168-F206 HydrophobicContact CE1-CZ 3.54Å; A169-F206 HydrophobicContact CB-CE1 4.23Å; T202-F206 PolarHBondContact O-N 3.13Å; I203-F206 WeakPolarHBondContact O-CB 3.47Å; I203-F206 PolarHBondContact O-N 2.78Å; I203-F206 VanDerWaalsContact O-N 3.13Å; F206-A208 PolarHBondContact O-N 3.01Å; F206-A208 VanDerWaalsContact O-N 3.09Å; F206-L209 PolarHBondContact O-N 3.41Å; F206-L211 HydrophobicContact CB-CD1 4.2Å; F206-M216 HydrophobicContact CB-SD 4.35Å; F206-M216 HydrophobicContact CD1-CE 4.3Å; F206-M216 HydrophobicContact CD2-CE 3.49Å; F206-M216 VanDerWaalsContact CD2-CE 3.49Å; F206-M216 HydrophobicContact CD2-SD 3.42Å; F206-M216 WeakPolarHBondContact CD2-SD 3.5Å; F206-M216 HydrophobicContact CE1-CE 4.31Å; F206-M216 HydrophobicContact CE2-CB 4.44Å; F206-M216 HydrophobicContact CE2-CE 3.51Å; F206-M216 HydrophobicContact CE2-SD 3.88Å; F206-M216 HydrophobicContact CG-CE 3.9Å; F206-M216 HydrophobicContact CG-SD 4.05Å; F206-M216 HydrophobicContact CZ-CE 3.93Å; F206-M216 WeakPolarHBondContact O-CE 3.47Å; F206-L219 HydrophobicContact CD2-CB 3.62Å; F206-L219 HydrophobicContact CD2-CD1 3.94Å; F206-L219 HydrophobicContact CD2-CG 4.45Å; F206-L219 HydrophobicContact CE2-CB 3.67Å; F206-K220 HydrophobicContact CZ-CB 4.39Å; F206-L223 HydrophobicContact CB-CD1 4.34Å; F206-L223 HydrophobicContact CD1-CD1 3.5Å; F206-L223 HydrophobicContact CD2-CD1 3.85Å; F206-L223 HydrophobicContact CE1-CD1 3.66Å; F206-L223 HydrophobicContact CE2-CD1 3.99Å; F206-L223 HydrophobicContact CG-CD1 3.61Å; F206-L223 HydrophobicContact CZ-CD1 3.9Å |
| 207 | E | 95.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.4 | 178.1 | -69.9 | 177 | -173.6 | 0 | 0 | 114.7 | F172 K173 R176 Q183 I203 | F172-E207 HydrophobicContact CD1-CG 4.16Å; F172-E207 HydrophobicContact CE1-CG 4.45Å; K173-E207 HydrophobicContact CB-CG 4.06Å; K173-E207 HydrophobicContact CD-CB 4.32Å; K173-E207 HydrophobicContact CG-CG 4.32Å; R176-E207 WeakPolarHBondContact CD-OE1 3.43Å; R176-E207 IonicContact CZ-OE1 3.82Å; R176-E207 IonicContact NE-OE1 2.72Å; R176-E207 IonicContact NH1-OE1 3.91Å; R176-E207 PolarHBondContact NH1-OE1 2.78Å; R176-E207 IonicContact NH1-OE2 2.74Å; R176-E207 PolarHBondContact NH1-OE2 3.05Å; Q183-E207 PolarHBondContact NE2-OE2 3.15Å; I203-E207 HydrophobicContact CG2-CG 4.48Å; I203-E207 WeakPolarHBondContact CG2-OE1 3.16Å; I203-E207 WeakPolarHBondContact O-CG 3.25Å; I203-E207 PolarHBondContact O-N 3.05Å |
| 208 | A | 95.3 | Very high | 92.7 | Very high | 46 Ų | 46 | 63.1 Ų | 63.1 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 6.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S204 F206 N210 | S204-A208 VanDerWaalsContact O-CB 3.3Å; S204-A208 WeakPolarHBondContact O-CB 3.42Å; S204-A208 PolarHBondContact O-N 3.02Å; F206-A208 PolarHBondContact O-N 3.01Å; F206-A208 VanDerWaalsContact O-N 3.09Å; A208-N210 VanDerWaalsContact O-CG 3.31Å; A208-N210 PolarHBondContact O-N 2.87Å; A208-N210 VanDerWaalsContact O-N 3.11Å; A208-N210 PolarHBondContact O-ND2 3.01Å |
| 209 | L | 92.8 | Very high | 92.9 | Very high | 64 Ų | 64 | 62.4 Ų | 62.4 | 34% | 0.335 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 26.1 | -175.3 | -49.1 | -179.7 | 0 | 0 | 0 | 113.8 | E166 A169 R205 F206 L211 M216 | E166-L209 HydrophobicContact CB-CD1 3.84Å; E166-L209 HydrophobicContact CG-CD1 3.85Å; A169-L209 HydrophobicContact CB-CD2 3.56Å; R205-L209 PolarHBondContact O-N 2.99Å; F206-L209 PolarHBondContact O-N 3.41Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 PolarHBondContact O-N 3.11Å; L209-M216 HydrophobicContact CD2-CE 3.58Å |
| 210 | N | 93.4 | Very high | 93.2 | Very high | 102 Ų | 102 | 61.4 Ų | 61.4 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | trans | -98 | 39 | -176.4 | -61 | 161.6 | 0 | 0 | 0 | 112.8 | R205 A208 | R205-N210 HydrophobicContact CB-CB 4.47Å; R205-N210 HydrophobicContact CG-CB 4.45Å; R205-N210 PolarHBondContact NH1-O 2.91Å; R205-N210 PolarHBondContact O-N 3.3Å; A208-N210 VanDerWaalsContact O-CG 3.31Å; A208-N210 PolarHBondContact O-N 2.87Å; A208-N210 VanDerWaalsContact O-N 3.11Å; A208-N210 PolarHBondContact O-ND2 3.01Å | ||
| 211 | L | 91.5 | Very high | 93.3 | Very high | 46 Ų | 46 | 60.5 Ų | 60.5 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -127.5 | 158.2 | 169.2 | -58.4 | 174.8 | 0 | 0 | 0 | 108.2 | R205 F206 L209 N215 M216 L219 | R205-L211 HydrophobicContact CB-CD1 4.37Å; R205-L211 HydrophobicContact CB-CD2 3.66Å; R205-L211 HydrophobicContact CB-CG 3.81Å; R205-L211 HydrophobicContact CG-CD2 4.43Å; F206-L211 HydrophobicContact CB-CD1 4.2Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 PolarHBondContact O-N 3.11Å; L211-N215 HydrophobicContact CB-CB 4.2Å; L211-M216 HydrophobicContact CB-CG 3.97Å; L211-M216 HydrophobicContact CB-SD 3.76Å; L211-M216 HydrophobicContact CD1-SD 3.9Å; L211-M216 HydrophobicContact CG-SD 4.15Å; L211-L219 HydrophobicContact CD1-CD1 3.48Å; L211-L219 VanDerWaalsContact CD1-CD1 3.48Å |
| 212 | S | 91.2 | Very high | 93.2 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 51% | 0.51 | 31% | 0.31 | S | S | . | . | trans | -66.4 | 147.1 | 171.3 | 57.7 | 0 | 0 | 0 | 0 | 110.9 | K214 N215 M216 | S212-K214 VanDerWaalsContact C-N 3.3Å; S212-K214 PolarHBondContact O-N 2.69Å; S212-N215 WeakPolarHBondContact O-CA 3.4Å; S212-N215 WeakPolarHBondContact O-CB 3.05Å; S212-N215 PolarHBondContact O-N 2.7Å; S212-N215 PolarHBondContact OG-ND2 3.35Å; S212-M216 PolarHBondContact O-N 3.28Å | ||
| 213 | F | 89.4 | Confident | 93.2 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 26% | 0.263 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -44.4 | -50.2 | 179.6 | -178.5 | -117.7 | 0 | 0 | 0 | 112.9 | E158 D161 L162 L165 N215 M216 C217 | E158-F213 WeakPolarHBondContact OE1-CE1 3.24Å; D161-F213 HydrophobicContact CB-CE2 3.92Å; D161-F213 HydrophobicContact CB-CZ 3.61Å; L162-F213 HydrophobicContact CD1-CD2 4.3Å; L165-F213 HydrophobicContact CD2-CD2 3.86Å; L165-F213 HydrophobicContact CD2-CE2 4.14Å; F213-N215 VanDerWaalsContact C-N 3.25Å; F213-N215 PolarHBondContact O-N 3.06Å; F213-N215 VanDerWaalsContact O-N 3.11Å; F213-M216 CarbonylContact O-C 3.59Å; F213-M216 WeakPolarHBondContact O-CA 3.31Å; F213-M216 WeakPolarHBondContact O-CB 3.38Å; F213-M216 PolarHBondContact O-N 3.1Å; F213-C217 WeakPolarHBondContact CE2-SG 3.38Å; F213-C217 PolarHBondContact O-N 3.47Å; F213-C217 PolarHBondContact O-SG 3.38Å |
| 214 | K | 90.5 | Very high | 93.2 | Very high | 182 Ų | 182 | 62 Ų | 62 | 79% | 0.791 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.7 | -25.4 | 175.6 | -173.2 | 164.1 | -174.9 | 162.2 | 0 | 115.7 | S212 | S212-K214 VanDerWaalsContact C-N 3.3Å; S212-K214 PolarHBondContact O-N 2.69Å |
| 215 | N | 92.2 | Very high | 93.1 | Very high | 84 Ų | 84 | 65.3 Ų | 65.3 | 45% | 0.449 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -83.6 | -36.3 | 170.3 | -78.1 | -69.2 | 0 | 0 | 0 | 111.9 | L211 S212 F213 K218 L219 | L211-N215 HydrophobicContact CB-CB 4.2Å; S212-N215 WeakPolarHBondContact O-CA 3.4Å; S212-N215 WeakPolarHBondContact O-CB 3.05Å; S212-N215 PolarHBondContact O-N 2.7Å; S212-N215 PolarHBondContact OG-ND2 3.35Å; F213-N215 VanDerWaalsContact C-N 3.25Å; F213-N215 PolarHBondContact O-N 3.06Å; F213-N215 VanDerWaalsContact O-N 3.11Å; N215-K218 PolarHBondContact O-N 2.93Å; N215-L219 WeakPolarHBondContact O-CG 3.33Å; N215-L219 PolarHBondContact O-N 3.34Å; N215-L219 VanDerWaalsContact O-N 3.09Å |
| 216 | M | 92.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.02 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -52.6 | 175 | -67.6 | -64.6 | -69.1 | 0 | 0 | 111.3 | L165 F206 L209 L211 S212 F213 K218 L219 K220 | L165-M216 HydrophobicContact CD1-CB 3.95Å; L165-M216 HydrophobicContact CD1-CE 4.13Å; L165-M216 HydrophobicContact CD2-CB 3.38Å; L165-M216 HydrophobicContact CD2-CE 4.3Å; L165-M216 HydrophobicContact CD2-CG 4.02Å; L165-M216 HydrophobicContact CG-CB 4.12Å; L165-M216 HydrophobicContact CG-CE 4.1Å; F206-M216 HydrophobicContact CB-SD 4.35Å; F206-M216 HydrophobicContact CD1-CE 4.3Å; F206-M216 HydrophobicContact CD2-CE 3.49Å; F206-M216 VanDerWaalsContact CD2-CE 3.49Å; F206-M216 HydrophobicContact CD2-SD 3.42Å; F206-M216 WeakPolarHBondContact CD2-SD 3.5Å; F206-M216 HydrophobicContact CE1-CE 4.31Å; F206-M216 HydrophobicContact CE2-CB 4.44Å; F206-M216 HydrophobicContact CE2-CE 3.51Å; F206-M216 HydrophobicContact CE2-SD 3.88Å; F206-M216 HydrophobicContact CG-CE 3.9Å; F206-M216 HydrophobicContact CG-SD 4.05Å; F206-M216 HydrophobicContact CZ-CE 3.93Å; F206-M216 WeakPolarHBondContact O-CE 3.47Å; L209-M216 HydrophobicContact CD2-CE 3.58Å; L211-M216 HydrophobicContact CB-CG 3.97Å; L211-M216 HydrophobicContact CB-SD 3.76Å; L211-M216 HydrophobicContact CD1-SD 3.9Å; L211-M216 HydrophobicContact CG-SD 4.15Å; S212-M216 PolarHBondContact O-N 3.28Å; F213-M216 CarbonylContact O-C 3.59Å; F213-M216 WeakPolarHBondContact O-CA 3.31Å; F213-M216 WeakPolarHBondContact O-CB 3.38Å; F213-M216 PolarHBondContact O-N 3.1Å; M216-K218 PolarHBondContact O-N 2.87Å; M216-K218 VanDerWaalsContact O-N 3.16Å; M216-L219 PolarHBondContact O-N 3.05Å; M216-K220 PolarHBondContact O-N 3.17Å |
| 217 | C | 92.1 | Very high | 92.9 | Very high | 55 Ų | 55 | 60 Ų | 60 | 37% | 0.372 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.6 | -23.6 | 178.9 | -49.7 | 0 | 0 | 0 | 0 | 112.7 | F213 P221 | F213-C217 WeakPolarHBondContact CE2-SG 3.38Å; F213-C217 PolarHBondContact O-N 3.47Å; F213-C217 PolarHBondContact O-SG 3.38Å; C217-P221 WeakPolarHBondContact O-CD 3.48Å |
| 218 | K | 91.7 | Very high | 92.7 | Very high | 151 Ų | 151 | 61.5 Ų | 61.5 | 66% | 0.657 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -76.3 | -29.1 | 171.1 | -178.9 | 170.6 | 179.9 | 174.5 | 0 | 113.2 | N215 M216 | N215-K218 PolarHBondContact O-N 2.93Å; M216-K218 PolarHBondContact O-N 2.87Å; M216-K218 VanDerWaalsContact O-N 3.16Å |
| 219 | L | 92.7 | Very high | 92.5 | Very high | 16 Ų | 16 | 62.8 Ų | 62.8 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -89 | -34.2 | -179.8 | -72.7 | 171.9 | 0 | 0 | 0 | 112.7 | F198 T202 F206 L211 N215 M216 L222 L223 | F198-L219 HydrophobicContact CD1-CD2 4.33Å; F198-L219 HydrophobicContact CE1-CD2 3.62Å; F198-L219 HydrophobicContact CE2-CD2 4.12Å; F198-L219 HydrophobicContact CZ-CD2 3.51Å; T202-L219 HydrophobicContact CG2-CD1 3.93Å; T202-L219 HydrophobicContact CG2-CD2 4.47Å; F206-L219 HydrophobicContact CD2-CB 3.62Å; F206-L219 HydrophobicContact CD2-CD1 3.94Å; F206-L219 HydrophobicContact CD2-CG 4.45Å; F206-L219 HydrophobicContact CE2-CB 3.67Å; L211-L219 HydrophobicContact CD1-CD1 3.48Å; L211-L219 VanDerWaalsContact CD1-CD1 3.48Å; N215-L219 WeakPolarHBondContact O-CG 3.33Å; N215-L219 PolarHBondContact O-N 3.34Å; N215-L219 VanDerWaalsContact O-N 3.09Å; M216-L219 PolarHBondContact O-N 3.05Å; L219-L222 PolarHBondContact O-N 3.39Å; L219-L222 VanDerWaalsContact O-N 3.11Å; L219-L223 HydrophobicContact CB-CD1 4.16Å; L219-L223 WeakPolarHBondContact O-CG 3.27Å; L219-L223 PolarHBondContact O-N 2.91Å |
| 220 | K | 93.8 | Very high | 92.4 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 14% | 0.143 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -43.5 | -61.1 | 178.7 | -179.6 | -173 | 176.3 | -162.9 | 0 | 112.8 | E164 L165 F168 F206 M216 L222 L223 E224 | E164-K220 IonicContact OE1-NZ 3.32Å; E164-K220 PolarHBondContact OE1-NZ 3.18Å; E164-K220 IonicContact OE2-NZ 3.89Å; E164-K220 PolarHBondContact OE2-NZ 3.2Å; L165-K220 HydrophobicContact CD1-CB 4.2Å; L165-K220 HydrophobicContact CD1-CD 4.33Å; F168-K220 HydrophobicContact CD1-CB 4.49Å; F168-K220 HydrophobicContact CD1-CG 3.9Å; F168-K220 HydrophobicContact CD2-CG 4.22Å; F168-K220 HydrophobicContact CE1-CB 4.47Å; F168-K220 HydrophobicContact CE1-CG 4.05Å; F168-K220 HydrophobicContact CE2-CG 4.36Å; F168-K220 HydrophobicContact CG-CD 4.45Å; F168-K220 HydrophobicContact CG-CG 4Å; F168-K220 HydrophobicContact CZ-CG 4.28Å; F206-K220 HydrophobicContact CZ-CB 4.39Å; M216-K220 PolarHBondContact O-N 3.17Å; K220-L222 VanDerWaalsContact C-N 3.26Å; K220-L222 PolarHBondContact O-N 3.37Å; K220-L223 PolarHBondContact O-N 2.88Å; K220-E224 WeakPolarHBondContact O-CB 3.47Å; K220-E224 PolarHBondContact O-N 3.06Å |
| 221 | P | 93.1 | Very high | 92.1 | Very high | 70 Ų | 70 | 59.3 Ų | 59.3 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67 | -23.4 | -175.1 | 27.2 | -36.7 | 0 | 0 | 0 | 114.2 | C217 K225 | C217-P221 WeakPolarHBondContact O-CD 3.48Å; P221-K225 WeakPolarHBondContact O-CB 3.21Å; P221-K225 PolarHBondContact O-N 3.48Å |
| 222 | L | 93.3 | Very high | 91.8 | Very high | 44 Ų | 44 | 63.5 Ų | 63.5 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -75.8 | -45 | 175.7 | -58 | 177.7 | 0 | 0 | 0 | 110.7 | Y194 F198 L219 K220 W226 | Y194-L222 HydrophobicContact CD1-CD2 4.24Å; Y194-L222 HydrophobicContact CD2-CB 4.13Å; Y194-L222 HydrophobicContact CD2-CD2 3.93Å; Y194-L222 HydrophobicContact CD2-CG 4.45Å; Y194-L222 HydrophobicContact CE1-CD2 4Å; Y194-L222 HydrophobicContact CE2-CB 3.65Å; Y194-L222 HydrophobicContact CE2-CD2 3.66Å; Y194-L222 HydrophobicContact CE2-CG 4.21Å; Y194-L222 HydrophobicContact CG-CD2 4.22Å; F198-L222 HydrophobicContact CE2-CD1 4.26Å; F198-L222 HydrophobicContact CZ-CD1 4.02Å; L219-L222 PolarHBondContact O-N 3.39Å; L219-L222 VanDerWaalsContact O-N 3.11Å; K220-L222 VanDerWaalsContact C-N 3.26Å; K220-L222 PolarHBondContact O-N 3.37Å; L222-W226 WeakPolarHBondContact O-CB 3.26Å; L222-W226 PolarHBondContact O-N 3.08Å; L222-W226 VanDerWaalsContact O-N 3.1Å |
| 223 | L | 94.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72.3 | -32.9 | 178.6 | -66.4 | 177.6 | 0 | 0 | 0 | 111.9 | F168 F172 V186 M190 I203 F206 L219 K220 L227 | F168-L223 HydrophobicContact CE1-CB 4.27Å; F168-L223 HydrophobicContact CZ-CB 4.25Å; F172-L223 HydrophobicContact CD2-CB 3.95Å; F172-L223 HydrophobicContact CE2-CB 3.65Å; F172-L223 HydrophobicContact CE2-CD2 4.14Å; F172-L223 HydrophobicContact CE2-CG 4.34Å; F172-L223 WeakPolarHBondContact CE2-O 3.37Å; F172-L223 HydrophobicContact CZ-CB 4.27Å; F172-L223 HydrophobicContact CZ-CD2 3.96Å; F172-L223 HydrophobicContact CZ-CG 4.49Å; V186-L223 HydrophobicContact CG1-CD2 4.04Å; M190-L223 HydrophobicContact SD-CD2 4.38Å; I203-L223 HydrophobicContact CD1-CD2 3.9Å; F206-L223 HydrophobicContact CB-CD1 4.34Å; F206-L223 HydrophobicContact CD1-CD1 3.5Å; F206-L223 HydrophobicContact CD2-CD1 3.85Å; F206-L223 HydrophobicContact CE1-CD1 3.66Å; F206-L223 HydrophobicContact CE2-CD1 3.99Å; F206-L223 HydrophobicContact CG-CD1 3.61Å; F206-L223 HydrophobicContact CZ-CD1 3.9Å; L219-L223 HydrophobicContact CB-CD1 4.16Å; L219-L223 WeakPolarHBondContact O-CG 3.27Å; L219-L223 PolarHBondContact O-N 2.91Å; K220-L223 PolarHBondContact O-N 2.88Å; L223-L227 VanDerWaalsContact O-CB 3.3Å; L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 PolarHBondContact O-N 3.47Å |
| 224 | E | 94.3 | Very high | 89.4 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 40% | 0.397 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.2 | -52.8 | 175.9 | -177.7 | 163.3 | -141.5 | 0 | 0 | 111.2 | F168 K220 W226 L227 S228 | F168-E224 HydrophobicContact CE2-CB 3.58Å; F168-E224 HydrophobicContact CE2-CG 3.88Å; F168-E224 HydrophobicContact CZ-CB 3.7Å; F168-E224 HydrophobicContact CZ-CG 4.5Å; K220-E224 WeakPolarHBondContact O-CB 3.47Å; K220-E224 PolarHBondContact O-N 3.06Å; E224-W226 VanDerWaalsContact C-N 3.32Å; E224-W226 PolarHBondContact O-N 2.96Å; E224-L227 WeakPolarHBondContact O-CB 3.31Å; E224-L227 PolarHBondContact O-N 3.37Å; E224-L227 VanDerWaalsContact O-N 3.11Å; E224-S228 PolarHBondContact O-N 2.83Å; E224-S228 PolarHBondContact O-OG 3.47Å |
| 225 | K | 92.8 | Very high | 87.6 | Confident | 112 Ų | 112 | 61.5 Ų | 61.5 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 175.2 | 172 | 161.5 | 179.4 | 167.1 | 0 | 111.7 | Y194 P221 L227 S228 D229 | Y194-K225 WeakPolarHBondContact OH-CB 3.47Å; P221-K225 WeakPolarHBondContact O-CB 3.21Å; P221-K225 PolarHBondContact O-N 3.48Å; K225-L227 VanDerWaalsContact C-N 3.26Å; K225-L227 PolarHBondContact O-N 3.23Å; K225-S228 PolarHBondContact O-N 3.3Å; K225-D229 WeakPolarHBondContact CE-OD2 3.11Å; K225-D229 WeakPolarHBondContact CG-OD2 3.46Å; K225-D229 WeakPolarHBondContact O-CB 3.5Å; K225-D229 PolarHBondContact O-N 3.37Å |
| 226 | W | 93.4 | Very high | 85.2 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 4% | 0.038 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.5 | -43 | 174.4 | 179.8 | 68.5 | 0 | 0 | 0 | 112.7 | F172 R176 F181 V186 M190 L222 E224 D229 A230 | F172-W226 AromaticContact CE2-CE3 3.8Å; F172-W226 HydrophobicContact CE2-CE3 3.8Å; F172-W226 HydrophobicContact CE2-CZ3 4.09Å; F172-W226 HydrophobicContact CZ-CE3 4.04Å; F172-W226 HydrophobicContact CZ-CZ3 4.06Å; R176-W226 HydrophobicContact CG-CH2 4.27Å; R176-W226 HydrophobicContact CG-CZ3 4.18Å; F181-W226 HydrophobicContact CB-CH2 4.12Å; F181-W226 HydrophobicContact CD1-CZ2 4.47Å; F181-W226 AromaticContact CD2-CH2 3.57Å; F181-W226 HydrophobicContact CD2-CH2 3.57Å; F181-W226 AromaticContact CD2-CZ2 3.9Å; F181-W226 HydrophobicContact CD2-CZ2 3.9Å; F181-W226 HydrophobicContact CE2-CH2 4.14Å; F181-W226 HydrophobicContact CE2-CZ2 4.11Å; F181-W226 AromaticContact CG-CH2 3.89Å; F181-W226 HydrophobicContact CG-CH2 3.89Å; F181-W226 HydrophobicContact CG-CZ2 4.09Å; F181-W226 HydrophobicContact CZ-CZ2 4.49Å; V186-W226 HydrophobicContact CG1-CD2 4.42Å; V186-W226 HydrophobicContact CG1-CE3 4.29Å; V186-W226 HydrophobicContact CG1-CZ3 4.46Å; V186-W226 HydrophobicContact CG2-CE3 4.4Å; V186-W226 HydrophobicContact CG2-CH2 3.59Å; V186-W226 HydrophobicContact CG2-CZ2 4.05Å; V186-W226 HydrophobicContact CG2-CZ3 3.78Å; M190-W226 HydrophobicContact CE-CB 3.5Å; M190-W226 VanDerWaalsContact CE-CB 3.5Å; M190-W226 HydrophobicContact CE-CG 3.76Å; M190-W226 HydrophobicContact CG-CG 4.35Å; M190-W226 HydrophobicContact SD-CB 3.68Å; M190-W226 HydrophobicContact SD-CG 4.04Å; L222-W226 WeakPolarHBondContact O-CB 3.26Å; L222-W226 PolarHBondContact O-N 3.08Å; L222-W226 VanDerWaalsContact O-N 3.1Å; E224-W226 VanDerWaalsContact C-N 3.32Å; E224-W226 PolarHBondContact O-N 2.96Å; W226-D229 PolarHBondContact O-N 2.98Å; W226-A230 HydrophobicContact CH2-CB 4.37Å; W226-A230 HydrophobicContact CZ2-CB 4.18Å; W226-A230 VanDerWaalsContact O-CB 3.27Å; W226-A230 WeakPolarHBondContact O-CB 3.37Å; W226-A230 PolarHBondContact O-N 3.02Å |
| 227 | L | 94.2 | Very high | 83.1 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.1 | -42.1 | -177.4 | -163.5 | 69.2 | 0 | 0 | 0 | 110.7 | F172 R175 L179 L223 E224 K225 A230 E231 | F172-L227 HydrophobicContact CB-CD2 4.47Å; F172-L227 HydrophobicContact CD2-CB 4.34Å; F172-L227 HydrophobicContact CD2-CD1 4.21Å; F172-L227 HydrophobicContact CD2-CD2 3.94Å; F172-L227 HydrophobicContact CD2-CG 4.43Å; F172-L227 HydrophobicContact CE2-CB 4.39Å; F172-L227 HydrophobicContact CE2-CD1 4.22Å; R175-L227 HydrophobicContact CB-CD1 3.88Å; R175-L227 HydrophobicContact CB-CD2 3.98Å; R175-L227 HydrophobicContact CB-CG 4.23Å; R175-L227 VanDerWaalsContact CD-CD2 3.43Å; R175-L227 HydrophobicContact CG-CD2 4.38Å; L179-L227 HydrophobicContact CD1-CD1 4.44Å; L223-L227 VanDerWaalsContact O-CB 3.3Å; L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 PolarHBondContact O-N 3.47Å; E224-L227 WeakPolarHBondContact O-CB 3.31Å; E224-L227 PolarHBondContact O-N 3.37Å; E224-L227 VanDerWaalsContact O-N 3.11Å; K225-L227 VanDerWaalsContact C-N 3.26Å; K225-L227 PolarHBondContact O-N 3.23Å; L227-A230 PolarHBondContact O-N 3.4Å; L227-E231 WeakPolarHBondContact O-CB 3.18Å; L227-E231 WeakPolarHBondContact O-CG 3.39Å; L227-E231 PolarHBondContact O-N 3.02Å |
| 228 | S | 92.9 | Very high | 81.2 | Confident | 48 Ų | 48 | 73.1 Ų | 73.1 | 34% | 0.336 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.4 | -50.2 | 171.1 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | E224 K225 A230 E231 N232 | E224-S228 PolarHBondContact O-N 2.83Å; E224-S228 PolarHBondContact O-OG 3.47Å; K225-S228 PolarHBondContact O-N 3.3Å; S228-A230 PolarHBondContact O-N 3Å; S228-A230 VanDerWaalsContact O-N 3.14Å; S228-E231 PolarHBondContact O-N 3.15Å; S228-E231 VanDerWaalsContact O-N 3.15Å; S228-N232 VanDerWaalsContact O-CB 3.31Å; S228-N232 WeakPolarHBondContact O-CB 3.3Å; S228-N232 PolarHBondContact O-N 3.47Å; S228-N232 PolarHBondContact O-OD1 2.81Å; S228-N232 VanDerWaalsContact O-OD1 3.06Å |
| 229 | D | 90.8 | Very high | 78.9 | Confident | 74 Ų | 74 | 71.3 Ų | 71.3 | 40% | 0.396 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.3 | -31.1 | 177.9 | -67.9 | -18.3 | 0 | 0 | 0 | 111.6 | K225 W226 | K225-D229 WeakPolarHBondContact CE-OD2 3.11Å; K225-D229 WeakPolarHBondContact CG-OD2 3.46Å; K225-D229 WeakPolarHBondContact O-CB 3.5Å; K225-D229 PolarHBondContact O-N 3.37Å; W226-D229 PolarHBondContact O-N 2.98Å |
| 230 | A | 89.8 | Confident | 76.5 | Confident | 17 Ų | 17 | 73.8 Ų | 73.8 | 14% | 0.14 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -84.5 | -35.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L179 F181 W226 L227 S228 | L179-A230 HydrophobicContact CD1-CB 4.09Å; F181-A230 HydrophobicContact CE2-CB 4.2Å; W226-A230 HydrophobicContact CH2-CB 4.37Å; W226-A230 HydrophobicContact CZ2-CB 4.18Å; W226-A230 VanDerWaalsContact O-CB 3.27Å; W226-A230 WeakPolarHBondContact O-CB 3.37Å; W226-A230 PolarHBondContact O-N 3.02Å; L227-A230 PolarHBondContact O-N 3.4Å; S228-A230 PolarHBondContact O-N 3Å; S228-A230 VanDerWaalsContact O-N 3.14Å |
| 231 | E | 88.6 | Confident | 74.3 | Confident | 75 Ų | 75 | 78.2 Ų | 78.2 | 35% | 0.35 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -74.6 | -24.8 | 174.6 | -73.1 | -174.3 | 124.2 | 0 | 0 | 112.1 | R175 L179 L227 S228 | R175-E231 VanDerWaalsContact CD-OE1 3.31Å; R175-E231 WeakPolarHBondContact CD-OE1 3.46Å; R175-E231 WeakPolarHBondContact CG-OE1 3.34Å; R175-E231 IonicContact CZ-OE2 2.62Å; R175-E231 IonicContact NE-OE1 3.64Å; R175-E231 IonicContact NE-OE2 2.65Å; R175-E231 IonicContact NH1-OE1 3.88Å; R175-E231 IonicContact NH1-OE2 2.61Å; R175-E231 PolarHBondContact NH1-OE2 3.17Å; L179-E231 HydrophobicContact CD1-CG 3.89Å; L227-E231 WeakPolarHBondContact O-CB 3.18Å; L227-E231 WeakPolarHBondContact O-CG 3.39Å; L227-E231 PolarHBondContact O-N 3.02Å; S228-E231 PolarHBondContact O-N 3.15Å; S228-E231 VanDerWaalsContact O-N 3.15Å |
| 232 | N | 84.3 | Confident | 72 | Confident | 134 Ų | 134 | 78.7 Ų | 78.7 | 72% | 0.717 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -88.5 | -8.4 | 174.7 | -73.6 | 118.9 | 0 | 0 | 0 | 114.1 | S228 | S228-N232 VanDerWaalsContact O-CB 3.31Å; S228-N232 WeakPolarHBondContact O-CB 3.3Å; S228-N232 PolarHBondContact O-N 3.47Å; S228-N232 PolarHBondContact O-OD1 2.81Å; S228-N232 VanDerWaalsContact O-OD1 3.06Å |
| 233 | S | 76.3 | Confident | 69.7 | Low | 78 Ų | 78 | 82.1 Ų | 82.1 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -73.8 | 123.1 | 173.1 | -165.7 | 0 | 0 | 0 | 0 | 109.9 | S235 | S233-S235 PolarHBondContact O-N 2.6Š|
| 234 | P | 54.2 | Low | 67.3 | Low | 103 Ų | 103 | 90 Ų | 90 | 67% | 0.669 | 55% | 0.548 | S | S | * | . | trans | -63.7 | 127.9 | -173.8 | 23.6 | -33 | 0 | 0 | 0 | 112.1 | D236 | P234-D236 VanDerWaalsContact C-N 3.27Å; P234-D236 PolarHBondContact O-N 3.23Å; P234-D236 VanDerWaalsContact O-N 3.08Å | ||
| 235 | S | 53.5 | Low | 64.8 | Low | 93 Ų | 93 | 90.7 Ų | 90.7 | 65% | 0.65 | 56% | 0.56 | S | S | * | * | trans | -83.6 | 24.9 | -162.3 | -173.1 | 0 | 0 | 0 | 0 | 115.6 | S233 S237 M238 | S233-S235 PolarHBondContact O-N 2.6Å; S235-S237 PolarHBondContact O-N 3.18Å; S235-M238 PolarHBondContact O-N 3.16Å | ||
| 236 | D | 41.4 | Very low | 62.5 | Low | 145 Ų | 145 | 91.9 Ų | 91.9 | 78% | 0.775 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -68.8 | -12.4 | -177.4 | -80.2 | -44 | 0 | 0 | 0 | 114.3 | P234 M238 | P234-D236 VanDerWaalsContact C-N 3.27Å; P234-D236 PolarHBondContact O-N 3.23Å; P234-D236 VanDerWaalsContact O-N 3.08Å; D236-M238 PolarHBondContact O-N 3.3Å |
| 237 | S | 47.9 | Very low | 60 | Low | 105 Ų | 105 | 98.9 Ų | 98.9 | 73% | 0.734 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -81 | -7.3 | -179.8 | -58.7 | 0 | 0 | 0 | 0 | 115.1 | S235 A240 | S235-S237 PolarHBondContact O-N 3.18Å; S237-A240 PolarHBondContact O-N 3.06Å |
| 238 | M | 52.4 | Low | 57.1 | Low | 136 Ų | 136 | 106 Ų | 106 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -87.2 | 1.5 | -173.4 | -98.7 | -66.8 | -175.9 | 0 | 0 | 115.7 | S235 D236 | S235-M238 PolarHBondContact O-N 3.16Å; D236-M238 PolarHBondContact O-N 3.3Å |
| 239 | S | 43.7 | Very low | 55 | Low | 113 Ų | 113 | 111.2 Ų | 111.2 | 79% | 0.79 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -92.6 | -14.4 | 165.9 | 65.6 | 0 | 0 | 0 | 0 | 113 | S241 | S239-S241 PolarHBondContact O-N 3.19Š|
| 240 | A | 42.7 | Very low | 52.6 | Low | 68 Ų | 68 | 110.4 Ų | 110.4 | 56% | 0.562 | 68% | 0.679 | S | S | * | * | trans | -83.5 | 52.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S237 A242 | S237-A240 PolarHBondContact O-N 3.06Å; A240-A242 PolarHBondContact O-N 2.7Å | ||
| 241 | S | 46.9 | Very low | 50.4 | Low | 126 Ų | 126 | 120.5 Ų | 120.5 | 88% | 0.881 | 72% | 0.716 | S | S | * | * | trans | -77.4 | 46.1 | 175.8 | -157.8 | 0 | 0 | 0 | 0 | 112.8 | S239 | S239-S241 PolarHBondContact O-N 3.19Š| ||
| 242 | A | 45.4 | Very low | 48.4 | Very low | 80 Ų | 80 | 119.3 Ų | 119.3 | 66% | 0.661 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -161.7 | 132 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | A240 | A240-A242 PolarHBondContact O-N 2.7Š|
| 243 | S | 44.9 | Very low | 46.7 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | 61 | 88.2 | 168.6 | -170.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 244 | L | 42.9 | Very low | 45.7 | Very low | 165 Ų | 165 | 127.5 Ų | 127.5 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | trans | -109.2 | 132.8 | 146.8 | -70.9 | 178.4 | 0 | 0 | 0 | 109.1 | ||||
| 245 | P | 40.8 | Very low | 45.5 | Very low | 100 Ų | 100 | 128 Ų | 128 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | trans | -73.6 | 161 | 177.2 | 31.4 | -35.3 | 0 | 0 | 0 | 111.7 | L247 | P245-L247 PolarHBondContact O-N 2.83Š| ||
| 246 | P | 44.9 | Very low | 45.8 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 89% | 0.89 | 72% | 0.724 | S | S | * | * | trans | -69.5 | 90.4 | -178.7 | -17 | 32 | 0 | 0 | 0 | 112.2 | M248 | P246-M248 VanDerWaalsContact C-N 3.34Å; P246-M248 PolarHBondContact O-N 3.25Å | ||
| 247 | L | 41.8 | Very low | 46.8 | Very low | 158 Ų | 158 | 132 Ų | 132 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | trans | -75.9 | 86.1 | -178 | -160.7 | 157.9 | 0 | 0 | 0 | 111.6 | P245 | P245-L247 PolarHBondContact O-N 2.83Š| ||
| 248 | M | 33.8 | Very low | 47.9 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | trans | 46.2 | 103 | 141.7 | -164.4 | 156.9 | 58.5 | 0 | 0 | 117.8 | P246 G250 | P246-M248 VanDerWaalsContact C-N 3.34Å; P246-M248 PolarHBondContact O-N 3.25Å; M248-G250 PolarHBondContact O-N 3.41Å | ||
| 249 | E | 47.4 | Very low | 49.1 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | trans | -50.1 | 96 | 166 | 180 | 82.4 | -153.9 | 0 | 0 | 111.3 | K254 | E249-K254 IonicContact OE1-NZ 3.92Å; E249-K254 PolarHBondContact OE1-NZ 3.45Å | ||
| 250 | G | 41.5 | Very low | 50.6 | Low | 56 Ų | 56 | 135.1 Ų | 135.1 | 58% | 0.577 | 72% | 0.719 | S | S | * | * | trans | -126.7 | 81.1 | -167 | 0 | 0 | 0 | 0 | 0 | 115 | M248 G252 | M248-G250 PolarHBondContact O-N 3.41Å; G250-G252 VanDerWaalsContact C-N 3.31Å; G250-G252 PolarHBondContact O-N 2.84Å | ||
| 251 | Y | 44.1 | Very low | 52.5 | Low | 229 Ų | 229 | 134.1 Ų | 134.1 | 90% | 0.898 | 70% | 0.704 | S | S | * | * | trans | 45.1 | 33.8 | 155.1 | -62.8 | -82.2 | 0 | 0 | 0 | 119.7 | R253 | Y251-R253 PolarHBondContact O-N 3.26Š| ||
| 252 | G | 45 | Very low | 54.5 | Low | 51 Ų | 51 | 134 Ų | 134 | 53% | 0.526 | 69% | 0.689 | S | S | . | * | trans | -56.6 | 134.5 | 159 | 0 | 0 | 0 | 0 | 0 | 110.3 | G250 K254 | G250-G252 VanDerWaalsContact C-N 3.31Å; G250-G252 PolarHBondContact O-N 2.84Å; G252-K254 WeakPolarHBondContact O-CG 3.37Å; G252-K254 PolarHBondContact O-N 2.78Å | ||
| 253 | R | 48.6 | Very low | 56.5 | Low | 245 Ų | 245 | 135 Ų | 135 | 93% | 0.925 | 69% | 0.687 | S | S | * | * | trans | -71.4 | 74 | 176.4 | -81.1 | -175 | 169 | -122.3 | 0.6 | 110.6 | Y251 R255 | Y251-R253 PolarHBondContact O-N 3.26Å; R253-R255 PolarHBondContact O-N 3.31Å | ||
| 254 | K | 54.9 | Low | 58.5 | Low | 139 Ų | 139 | 134.8 Ų | 134.8 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | trans | -43.1 | 108.7 | -174.1 | -61.7 | -178 | -179.2 | -179.5 | 0 | 110.5 | E249 G252 K256 | E249-K254 IonicContact OE1-NZ 3.92Å; E249-K254 PolarHBondContact OE1-NZ 3.45Å; G252-K254 WeakPolarHBondContact O-CG 3.37Å; G252-K254 PolarHBondContact O-N 2.78Å; K254-K256 PolarHBondContact O-N 3.18Å | ||
| 255 | R | 51.2 | Low | 60.8 | Low | 113 Ų | 113 | 128.3 Ų | 128.3 | 43% | 0.426 | 64% | 0.643 | S | S | . | * | trans | -44.6 | 129.1 | 179.9 | 172.3 | 176.2 | 174.9 | 155.8 | 3.1 | 111 | N196 D197 R253 K257 | N196-R255 WeakPolarHBondContact OD1-CD 3.15Å; N196-R255 PolarHBondContact OD1-NH1 3.42Å; D197-R255 HydrophobicContact CB-CB 4.22Å; D197-R255 WeakPolarHBondContact O-CD 3.31Å; D197-R255 PolarHBondContact O-NH1 2.98Å; D197-R255 VanDerWaalsContact OD2-CB 3.24Å; D197-R255 WeakPolarHBondContact OD2-CB 3.27Å; D197-R255 PolarHBondContact OD2-N 2.87Å; R253-R255 PolarHBondContact O-N 3.31Å; R255-K257 PolarHBondContact O-N 3.48Å | ||
| 256 | K | 58.5 | Low | 63.2 | Low | 146 Ų | 146 | 129.1 Ų | 129.1 | 64% | 0.635 | 64% | 0.637 | S | S | * | * | trans | -44.9 | 108.1 | -176.3 | -176.9 | 171.8 | 178.6 | 176.6 | 0 | 108.6 | K254 R258 E294 | K254-K256 PolarHBondContact O-N 3.18Å; K256-R258 PolarHBondContact O-N 3.19Å; K256-E294 VanDerWaalsContact NZ-CD 3.28Å; K256-E294 IonicContact NZ-OE1 2.9Å; K256-E294 PolarHBondContact NZ-OE1 2.93Å; K256-E294 IonicContact NZ-OE2 3.98Å; K256-E294 PolarHBondContact NZ-OE2 3.03Å | ||
| 257 | K | 63 | Low | 65.3 | Low | 176 Ų | 176 | 127.9 Ų | 127.9 | 77% | 0.765 | 62% | 0.622 | S | S | * | * | trans | -55.7 | 136.1 | -176.8 | -68.6 | -72.3 | -172.4 | 176.3 | 0 | 107.3 | R255 T259 | R255-K257 PolarHBondContact O-N 3.48Å; K257-T259 PolarHBondContact O-N 3.05Å | ||
| 258 | R | 72.3 | Confident | 67.7 | Low | 241 Ų | 241 | 122.9 Ų | 122.9 | 91% | 0.909 | 60% | 0.598 | S | S | * | * | trans | -59.1 | 117.1 | 178.7 | -173.3 | -175 | -161.4 | 171.9 | 7.2 | 107.9 | K256 S260 | K256-R258 PolarHBondContact O-N 3.19Å; R258-S260 PolarHBondContact O-N 3.46Å | ||
| 259 | T | 77.6 | Confident | 70.5 | Confident | 65 Ų | 65 | 115.5 Ų | 115.5 | 40% | 0.399 | 56% | 0.562 | S | S | . | * | trans | -53.2 | 113.6 | 176.3 | -44.2 | 0 | 0 | 0 | 0 | 108.6 | K257 V297 | K257-T259 PolarHBondContact O-N 3.05Å; T259-V297 HydrophobicContact CG2-CG1 4.35Å; T259-V297 HydrophobicContact CG2-CG2 4.47Å | ||
| 260 | S | 74.7 | Confident | 72.7 | Confident | 113 Ų | 113 | 110.7 Ų | 110.7 | 79% | 0.79 | 54% | 0.539 | S | S | * | . | trans | -70.2 | 136.7 | 168.1 | -163.7 | 0 | 0 | 0 | 0 | 107.3 | R258 | R258-S260 PolarHBondContact O-N 3.46Š| ||
| 261 | I | 82.3 | Confident | 75.1 | Confident | 48 Ų | 48 | 114.5 Ų | 114.5 | 25% | 0.246 | 54% | 0.54 | C | S | . | . | trans | -112.3 | 114.8 | 179.1 | -55.9 | -179.4 | 0 | 0 | 0 | 105.8 | I265 K266 L269 M293 V297 W301 | I261-I265 HydrophobicContact CG2-CB 4.11Å; I261-I265 HydrophobicContact CG2-CG2 3.68Å; I261-K266 HydrophobicContact CG2-CB 4.25Å; I261-L269 HydrophobicContact CG2-CD1 4.23Å; I261-M293 HydrophobicContact CD1-CE 4.37Å; I261-M293 HydrophobicContact CG1-CE 4.03Å; I261-M293 HydrophobicContact CG2-CE 4.31Å; I261-V297 HydrophobicContact CD1-CG1 4.05Å; I261-W301 HydrophobicContact CD1-CG 4.49Å | ||
| 262 | E | 88.6 | Confident | 77.3 | Confident | 122 Ų | 122 | 108 Ų | 108 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | trans | -58.6 | 154.1 | -177 | -61.4 | -176.5 | -175.2 | 0 | 0 | 112.1 | N264 I265 K266 | E262-N264 VanDerWaalsContact C-N 3.28Å; E262-N264 PolarHBondContact O-N 3.28Å; E262-I265 HydrophobicContact CB-CB 4.33Å; E262-I265 HydrophobicContact CB-CD1 4.05Å; E262-I265 HydrophobicContact CB-CG1 4.11Å; E262-I265 HydrophobicContact CG-CD1 4.14Å; E262-I265 PolarHBondContact O-N 2.92Å; E262-K266 VanDerWaalsContact O-CB 3.24Å; E262-K266 WeakPolarHBondContact O-CB 3.32Å; E262-K266 PolarHBondContact O-N 2.91Å | ||
| 263 | T | 87.4 | Confident | 79.5 | Confident | 101 Ų | 101 | 105.7 Ų | 105.7 | 62% | 0.62 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.5 | -41.4 | -179.6 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | K266 L267 | T263-K266 PolarHBondContact O-N 2.95Å; T263-L267 HydrophobicContact CG2-CD1 4.23Å; T263-L267 VanDerWaalsContact O-CG 3.28Å; T263-L267 WeakPolarHBondContact O-CG 3.11Å; T263-L267 PolarHBondContact O-N 2.79Å |
| 264 | N | 87.6 | Confident | 81.4 | Confident | 114 Ų | 114 | 100.4 Ų | 100.4 | 61% | 0.61 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.3 | -51.2 | 177.9 | -65.7 | -29.5 | 0 | 0 | 0 | 111.8 | E262 K266 L267 T268 | E262-N264 VanDerWaalsContact C-N 3.28Å; E262-N264 PolarHBondContact O-N 3.28Å; N264-K266 VanDerWaalsContact C-N 3.28Å; N264-K266 PolarHBondContact O-N 3.44Å; N264-L267 WeakPolarHBondContact O-CB 3.48Å; N264-L267 PolarHBondContact O-N 3.36Å; N264-L267 VanDerWaalsContact O-N 3.13Å; N264-T268 PolarHBondContact O-N 3.49Å; N264-T268 PolarHBondContact O-OG1 2.9Å |
| 265 | I | 90 | Very high | 83 | Confident | 29 Ų | 29 | 98.1 Ų | 98.1 | 15% | 0.149 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -56.4 | -44.8 | 176.3 | -62.7 | 177.8 | 0 | 0 | 0 | 110.5 | I261 E262 T268 L269 L291 M293 | I261-I265 HydrophobicContact CG2-CB 4.11Å; I261-I265 HydrophobicContact CG2-CG2 3.68Å; E262-I265 HydrophobicContact CB-CB 4.33Å; E262-I265 HydrophobicContact CB-CD1 4.05Å; E262-I265 HydrophobicContact CB-CG1 4.11Å; E262-I265 HydrophobicContact CG-CD1 4.14Å; E262-I265 PolarHBondContact O-N 2.92Å; I265-T268 PolarHBondContact O-N 3.36Å; I265-L269 HydrophobicContact CG2-CD1 4Å; I265-L269 WeakPolarHBondContact O-CB 3.28Å; I265-L269 VanDerWaalsContact O-CG 3.31Å; I265-L269 WeakPolarHBondContact O-CG 3.43Å; I265-L269 PolarHBondContact O-N 3.08Å; I265-L291 HydrophobicContact CG2-CB 4.37Å; I265-L291 HydrophobicContact CG2-CD1 4.1Å; I265-L291 HydrophobicContact CG2-CD2 4.43Å; I265-M293 HydrophobicContact CG2-CE 4.28Å; I265-M293 HydrophobicContact CG2-CG 4.31Å; I265-M293 HydrophobicContact CG2-SD 3.42Å; I265-M293 WeakPolarHBondContact CG2-SD 3.42Å |
| 266 | K | 91.4 | Very high | 84.7 | Confident | 117 Ų | 117 | 94.9 Ų | 94.9 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 177.3 | 179.8 | -171.9 | 168.8 | -160.9 | 0 | 112.6 | I261 E262 T263 N264 E270 | I261-K266 HydrophobicContact CG2-CB 4.25Å; E262-K266 VanDerWaalsContact O-CB 3.24Å; E262-K266 WeakPolarHBondContact O-CB 3.32Å; E262-K266 PolarHBondContact O-N 2.91Å; T263-K266 PolarHBondContact O-N 2.95Å; N264-K266 VanDerWaalsContact C-N 3.28Å; N264-K266 PolarHBondContact O-N 3.44Å; K266-E270 WeakPolarHBondContact O-CB 3.47Å; K266-E270 PolarHBondContact O-N 3.36Å |
| 267 | L | 90.3 | Very high | 86.1 | Confident | 110 Ų | 110 | 90.5 Ų | 90.5 | 58% | 0.576 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -65 | -43.4 | 175 | -75.1 | 165 | 0 | 0 | 0 | 111.4 | T263 N264 E270 K271 | T263-L267 HydrophobicContact CG2-CD1 4.23Å; T263-L267 VanDerWaalsContact O-CG 3.28Å; T263-L267 WeakPolarHBondContact O-CG 3.11Å; T263-L267 PolarHBondContact O-N 2.79Å; N264-L267 WeakPolarHBondContact O-CB 3.48Å; N264-L267 PolarHBondContact O-N 3.36Å; N264-L267 VanDerWaalsContact O-N 3.13Å; L267-E270 PolarHBondContact O-N 3.37Å; L267-K271 PolarHBondContact O-N 3.35Å |
| 268 | T | 91.3 | Very high | 87.4 | Confident | 53 Ų | 53 | 89.6 Ų | 89.6 | 33% | 0.325 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 176.4 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | N264 I265 K271 R272 L291 | N264-T268 PolarHBondContact O-N 3.49Å; N264-T268 PolarHBondContact O-OG1 2.9Å; I265-T268 PolarHBondContact O-N 3.36Å; T268-K271 PolarHBondContact O-N 3.08Å; T268-R272 WeakPolarHBondContact O-CG 3.16Å; T268-R272 PolarHBondContact O-N 2.7Å; T268-L291 HydrophobicContact CG2-CD2 3.89Å |
| 269 | L | 93 | Very high | 88.2 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 173.2 | -72.5 | 168.9 | 0 | 0 | 0 | 112.3 | I261 I265 R272 F273 I287 L291 M293 V298 W301 F302 | I261-L269 HydrophobicContact CG2-CD1 4.23Å; I265-L269 HydrophobicContact CG2-CD1 4Å; I265-L269 WeakPolarHBondContact O-CB 3.28Å; I265-L269 VanDerWaalsContact O-CG 3.31Å; I265-L269 WeakPolarHBondContact O-CG 3.43Å; I265-L269 PolarHBondContact O-N 3.08Å; L269-R272 PolarHBondContact O-N 2.99Å; L269-F273 WeakPolarHBondContact O-CB 3.43Å; L269-F273 PolarHBondContact O-N 2.93Å; L269-I287 HydrophobicContact CD2-CG2 3.7Å; L269-L291 HydrophobicContact CD1-CD1 4.4Å; L269-L291 HydrophobicContact CD2-CD1 3.65Å; L269-L291 HydrophobicContact CG-CD1 3.69Å; L269-M293 HydrophobicContact CD1-SD 4.42Å; L269-V298 HydrophobicContact CD2-CG1 4.06Å; L269-W301 VanDerWaalsContact C-CH2 3.41Å; L269-W301 HydrophobicContact CB-CD2 3.98Å; L269-W301 HydrophobicContact CB-CE3 3.92Å; L269-W301 HydrophobicContact CB-CH2 3.7Å; L269-W301 HydrophobicContact CB-CZ2 3.71Å; L269-W301 HydrophobicContact CB-CZ3 3.79Å; L269-W301 HydrophobicContact CD1-CD2 3.93Å; L269-W301 HydrophobicContact CD1-CE3 4.43Å; L269-W301 HydrophobicContact CD1-CG 3.95Å; L269-W301 HydrophobicContact CD2-CE3 4.27Å; L269-W301 HydrophobicContact CG-CD2 4.38Å; L269-W301 HydrophobicContact CG-CE3 4.44Å; L269-W301 WeakPolarHBondContact O-CH2 3.17Å; L269-W301 WeakPolarHBondContact O-CZ3 3.19Å; L269-F302 HydrophobicContact CD2-CE2 3.82Å |
| 270 | E | 92.7 | Very high | 88.9 | Confident | 56 Ų | 56 | 79.7 Ų | 79.7 | 26% | 0.262 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 176.2 | -164.2 | 73.9 | -156.8 | 0 | 0 | 111.7 | K266 L267 F273 L274 R305 | K266-E270 WeakPolarHBondContact O-CB 3.47Å; K266-E270 PolarHBondContact O-N 3.36Å; L267-E270 PolarHBondContact O-N 3.37Å; E270-F273 WeakPolarHBondContact O-CB 3.22Å; E270-F273 PolarHBondContact O-N 3.39Å; E270-L274 PolarHBondContact O-N 3.13Å; E270-R305 VanDerWaalsContact CD-NE 3.27Å; E270-R305 IonicContact OE1-CZ 3.8Å; E270-R305 IonicContact OE1-NE 2.7Å; E270-R305 PolarHBondContact OE1-NE 3.3Å; E270-R305 IonicContact OE1-NH2 3.72Å; E270-R305 PolarHBondContact OE1-NH2 3Å; E270-R305 WeakPolarHBondContact OE2-CD 3.38Å; E270-R305 IonicContact OE2-NE 2.7Å; E270-R305 PolarHBondContact OE2-NE 3.24Å |
| 271 | K | 92.5 | Very high | 89.8 | Confident | 136 Ų | 136 | 77.6 Ų | 77.6 | 59% | 0.591 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.3 | -50.6 | 171.2 | -177.8 | 175.8 | 178.6 | 176.7 | 0 | 111.6 | L267 T268 F273 L274 D275 | L267-K271 PolarHBondContact O-N 3.35Å; T268-K271 PolarHBondContact O-N 3.08Å; K271-F273 PolarHBondContact O-N 2.92Å; K271-L274 WeakPolarHBondContact O-CB 3.41Å; K271-L274 PolarHBondContact O-N 2.89Å; K271-D275 PolarHBondContact O-N 3.09Å |
| 272 | R | 89.5 | Confident | 90.3 | Very high | 91 Ų | 91 | 82.1 Ų | 82.1 | 34% | 0.343 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.9 | -26.8 | 177.8 | -68.9 | -49.8 | -163.4 | -178 | 8.4 | 113.4 | T268 L269 D275 N276 I287 F302 | T268-R272 WeakPolarHBondContact O-CG 3.16Å; T268-R272 PolarHBondContact O-N 2.7Å; L269-R272 PolarHBondContact O-N 2.99Å; R272-D275 WeakPolarHBondContact CD-OD2 3.41Å; R272-D275 IonicContact CZ-OD2 3.11Å; R272-D275 IonicContact NE-OD2 2.65Å; R272-D275 IonicContact NH1-OD2 2.69Å; R272-D275 PolarHBondContact NH1-OD2 3.11Å; R272-D275 PolarHBondContact O-N 2.8Å; R272-N276 PolarHBondContact O-N 3.27Å; R272-I287 HydrophobicContact CB-CD1 4.14Å; R272-I287 HydrophobicContact CG-CD1 4.19Å; R272-I287 HydrophobicContact CG-CG1 4.36Å; R272-F302 HydrophobicContact CB-CZ 4.06Å |
| 273 | F | 92 | Very high | 90.5 | Very high | 3 Ų | 3 | 79.9 Ų | 79.9 | 1% | 0.013 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -71.4 | -30.8 | 173.8 | -177.5 | -91.2 | 0 | 0 | 0 | 113.2 | L269 E270 K271 N276 P277 W301 F302 R305 R306 E309 | L269-F273 WeakPolarHBondContact O-CB 3.43Å; L269-F273 PolarHBondContact O-N 2.93Å; E270-F273 WeakPolarHBondContact O-CB 3.22Å; E270-F273 PolarHBondContact O-N 3.39Å; K271-F273 PolarHBondContact O-N 2.92Å; F273-N276 CarbonylContact O-C 3.59Å; F273-P277 HydrophobicContact CD2-CB 4.3Å; F273-P277 HydrophobicContact CE1-CB 4.38Å; F273-P277 HydrophobicContact CE2-CB 3.83Å; F273-P277 HydrophobicContact CZ-CB 3.86Å; F273-W301 HydrophobicContact CB-CH2 3.98Å; F273-W301 HydrophobicContact CB-CZ3 3.97Å; F273-W301 HydrophobicContact CD2-CZ3 4.3Å; F273-W301 HydrophobicContact CG-CH2 4.45Å; F273-W301 HydrophobicContact CG-CZ3 4.41Å; F273-F302 HydrophobicContact CB-CE1 4.06Å; F273-F302 AromaticContact CD2-CD1 3.85Å; F273-F302 HydrophobicContact CD2-CD1 3.85Å; F273-F302 HydrophobicContact CD2-CE1 4.08Å; F273-R305 HydrophobicContact CB-CG 4.45Å; F273-R305 HydrophobicContact CD1-CG 3.86Å; F273-R305 HydrophobicContact CD2-CB 4.07Å; F273-R305 HydrophobicContact CD2-CG 3.54Å; F273-R305 HydrophobicContact CE1-CG 3.99Å; F273-R305 VanDerWaalsContact CE1-NH1 3.34Å; F273-R305 HydrophobicContact CE2-CB 4.09Å; F273-R305 HydrophobicContact CE2-CG 3.67Å; F273-R305 HydrophobicContact CG-CG 3.65Å; F273-R305 HydrophobicContact CZ-CG 3.9Å; F273-R306 HydrophobicContact CE2-CB 4.14Å; F273-R306 HydrophobicContact CZ-CB 4.47Å; F273-E309 WeakPolarHBondContact CE1-OE1 3.48Å; F273-E309 WeakPolarHBondContact CZ-OE1 3.38Å |
| 274 | L | 88.6 | Confident | 90.8 | Very high | 134 Ų | 134 | 75.8 Ų | 75.8 | 70% | 0.702 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -74.1 | -39.1 | 170.6 | -62.7 | 171.6 | 0 | 0 | 0 | 111.4 | E270 K271 | E270-L274 PolarHBondContact O-N 3.13Å; K271-L274 WeakPolarHBondContact O-CB 3.41Å; K271-L274 PolarHBondContact O-N 2.89Å |
| 275 | D | 89.6 | Confident | 91.1 | Very high | 91 Ų | 91 | 72.3 Ų | 72.3 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.4 | -50.5 | 173.1 | -59.7 | -14.6 | 0 | 0 | 0 | 111 | K271 R272 | K271-D275 PolarHBondContact O-N 3.09Å; R272-D275 WeakPolarHBondContact CD-OD2 3.41Å; R272-D275 IonicContact CZ-OD2 3.11Å; R272-D275 IonicContact NE-OD2 2.65Å; R272-D275 IonicContact NH1-OD2 2.69Å; R272-D275 PolarHBondContact NH1-OD2 3.11Å; R272-D275 PolarHBondContact O-N 2.8Å |
| 276 | N | 86.7 | Confident | 91.3 | Very high | 46 Ų | 46 | 76.1 Ų | 76.1 | 25% | 0.246 | 38% | 0.382 | C | S | . | . | trans | -149.1 | 109.6 | 179.9 | -177 | -3.5 | 0 | 0 | 0 | 111.8 | R272 F273 K278 E283 | R272-N276 PolarHBondContact O-N 3.27Å; F273-N276 CarbonylContact O-C 3.59Å; N276-K278 PolarHBondContact O-N 3.06Å; N276-K278 WeakPolarHBondContact OD1-CA 3.48Å; N276-K278 PolarHBondContact OD1-N 3.35Å; N276-K278 PolarHBondContact OD1-O 3.33Å; N276-E283 PolarHBondContact ND2-OE1 3.14Å; N276-E283 PolarHBondContact ND2-OE2 3.31Å; N276-E283 VanDerWaalsContact ND2-OE2 3.15Å | ||
| 277 | P | 86.9 | Confident | 91.3 | Very high | 54 Ų | 54 | 71.1 Ų | 71.1 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -78.7 | -0.4 | 179.1 | 30.8 | -35.5 | 0 | 0 | 0 | 114.6 | F273 R306 | F273-P277 HydrophobicContact CD2-CB 4.3Å; F273-P277 HydrophobicContact CE1-CB 4.38Å; F273-P277 HydrophobicContact CE2-CB 3.83Å; F273-P277 HydrophobicContact CZ-CB 3.86Å; P277-R306 PolarHBondContact O-NH1 3.08Å |
| 278 | K | 89.7 | Confident | 91.5 | Very high | 156 Ų | 156 | 66.3 Ų | 66.3 | 68% | 0.678 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -140.1 | 65.1 | 176.7 | -63.7 | -179 | -173.3 | 169.3 | 0 | 111.2 | N276 | N276-K278 PolarHBondContact O-N 3.06Å; N276-K278 WeakPolarHBondContact OD1-CA 3.48Å; N276-K278 PolarHBondContact OD1-N 3.35Å; N276-K278 PolarHBondContact OD1-O 3.33Å |
| 279 | P | 89.8 | Confident | 91.7 | Very high | 16 Ų | 16 | 70 Ų | 70 | 10% | 0.104 | 35% | 0.351 | C | S | . | . | trans | -61.5 | 139.7 | 177.3 | 28.6 | -36.5 | 0 | 0 | 0 | 111.7 | E283 I284 F302 | P279-E283 WeakPolarHBondContact CA-OE2 3.42Å; P279-E283 HydrophobicContact CB-CB 3.69Å; P279-I284 HydrophobicContact CB-CG1 3.93Å; P279-I284 HydrophobicContact CG-CD1 4.23Å; P279-I284 HydrophobicContact CG-CG1 3.76Å; P279-I284 WeakPolarHBondContact O-CD1 3.5Å; P279-F302 VanDerWaalsContact CD-CD1 3.46Å; P279-F302 HydrophobicContact CG-CB 4.48Å; P279-F302 HydrophobicContact CG-CD1 3.55Å; P279-F302 HydrophobicContact CG-CD2 4Å; P279-F302 HydrophobicContact CG-CE1 3.64Å; P279-F302 HydrophobicContact CG-CE2 4.1Å; P279-F302 HydrophobicContact CG-CG 3.75Å; P279-F302 HydrophobicContact CG-CZ 3.93Å | ||
| 280 | N | 93.1 | Very high | 91.6 | Very high | 83 Ų | 83 | 75.6 Ų | 75.6 | 44% | 0.444 | 38% | 0.377 | S | S | . | . | trans | -64.3 | 165.6 | 172.7 | -173.5 | 28.4 | 0 | 0 | 0 | 111.5 | E282 E283 I284 | N280-E282 PolarHBondContact ND2-OE2 2.78Å; N280-E282 PolarHBondContact O-N 3.15Å; N280-E282 VanDerWaalsContact O-N 3.15Å; N280-E283 HydrophobicContact CB-CG 4.43Å; N280-E283 WeakPolarHBondContact CB-OE2 3.45Å; N280-E283 PolarHBondContact N-OE2 3.38Å; N280-E283 PolarHBondContact O-N 2.9Å; N280-I284 VanDerWaalsContact O-CG1 3.25Å; N280-I284 WeakPolarHBondContact O-CG1 3.39Å; N280-I284 PolarHBondContact O-N 3.1Å | ||
| 281 | S | 92.6 | Very high | 91.5 | Very high | 68 Ų | 68 | 74 Ų | 74 | 48% | 0.476 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -52.2 | -36.4 | 174.5 | -173.4 | 0 | 0 | 0 | 0 | 112.7 | T285 K295 | S281-T285 PolarHBondContact O-N 3.11Å; S281-T285 VanDerWaalsContact O-N 3.07Å; S281-T285 PolarHBondContact O-OG1 2.97Å; S281-T285 VanDerWaalsContact O-OG1 3.1Å; S281-K295 VanDerWaalsContact O-CE 3.27Å; S281-K295 WeakPolarHBondContact O-CE 3.49Å; S281-K295 PolarHBondContact O-NZ 2.8Å; S281-K295 PolarHBondContact OG-NZ 2.98Å |
| 282 | E | 93.9 | Very high | 91.4 | Very high | 143 Ų | 143 | 73.1 Ų | 73.1 | 67% | 0.668 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -74.2 | -45.8 | 179.3 | -64.2 | 164.5 | 147 | 0 | 0 | 112.1 | N280 I284 T285 L286 | N280-E282 PolarHBondContact ND2-OE2 2.78Å; N280-E282 PolarHBondContact O-N 3.15Å; N280-E282 VanDerWaalsContact O-N 3.15Å; E282-I284 VanDerWaalsContact C-N 3.25Å; E282-I284 PolarHBondContact O-N 3.41Å; E282-T285 WeakPolarHBondContact O-CA 3.38Å; E282-T285 VanDerWaalsContact O-CB 3.26Å; E282-T285 WeakPolarHBondContact O-CB 3.33Å; E282-T285 PolarHBondContact O-N 2.99Å; E282-L286 PolarHBondContact O-N 3.11Å |
| 283 | E | 92.3 | Very high | 91.5 | Very high | 75 Ų | 75 | 70.2 Ų | 70.2 | 35% | 0.35 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59 | -38.5 | 172.9 | -68.2 | 173.5 | 92.9 | 0 | 0 | 111.2 | N276 P279 N280 T285 L286 I287 | N276-E283 PolarHBondContact ND2-OE1 3.14Å; N276-E283 PolarHBondContact ND2-OE2 3.31Å; N276-E283 VanDerWaalsContact ND2-OE2 3.15Å; P279-E283 WeakPolarHBondContact CA-OE2 3.42Å; P279-E283 HydrophobicContact CB-CB 3.69Å; N280-E283 HydrophobicContact CB-CG 4.43Å; N280-E283 WeakPolarHBondContact CB-OE2 3.45Å; N280-E283 PolarHBondContact N-OE2 3.38Å; N280-E283 PolarHBondContact O-N 2.9Å; E283-T285 VanDerWaalsContact C-N 3.35Å; E283-L286 PolarHBondContact O-N 3.2Å; E283-I287 WeakPolarHBondContact O-CB 3.15Å; E283-I287 WeakPolarHBondContact O-CD1 3.27Å; E283-I287 WeakPolarHBondContact O-CG1 3.48Å; E283-I287 PolarHBondContact O-N 2.9Å |
| 284 | I | 93 | Very high | 91.4 | Very high | 15 Ų | 15 | 74.4 Ų | 74.4 | 8% | 0.077 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.4 | -36 | 174.4 | -63.7 | 169.5 | 0 | 0 | 0 | 111 | P279 N280 E282 S288 K295 V298 R299 | P279-I284 HydrophobicContact CB-CG1 3.93Å; P279-I284 HydrophobicContact CG-CD1 4.23Å; P279-I284 HydrophobicContact CG-CG1 3.76Å; P279-I284 WeakPolarHBondContact O-CD1 3.5Å; N280-I284 VanDerWaalsContact O-CG1 3.25Å; N280-I284 WeakPolarHBondContact O-CG1 3.39Å; N280-I284 PolarHBondContact O-N 3.1Å; E282-I284 VanDerWaalsContact C-N 3.25Å; E282-I284 PolarHBondContact O-N 3.41Å; I284-S288 VanDerWaalsContact O-CB 3.25Å; I284-S288 WeakPolarHBondContact O-CB 3.45Å; I284-S288 PolarHBondContact O-N 2.89Å; I284-S288 PolarHBondContact O-OG 3.36Å; I284-K295 HydrophobicContact CG2-CG 3.83Å; I284-V298 HydrophobicContact CG2-CB 4.15Å; I284-V298 HydrophobicContact CG2-CG1 3.99Å; I284-R299 HydrophobicContact CD1-CB 4.4Å; I284-R299 HydrophobicContact CD1-CG 4.15Å; I284-R299 HydrophobicContact CG2-CB 4.13Å |
| 285 | T | 94.8 | Very high | 91.6 | Very high | 42 Ų | 42 | 71.8 Ų | 71.8 | 26% | 0.258 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60 | -55.9 | 170.4 | -53.8 | 0 | 0 | 0 | 0 | 110.1 | S281 E282 E283 I287 S288 E289 K295 | S281-T285 PolarHBondContact O-N 3.11Å; S281-T285 VanDerWaalsContact O-N 3.07Å; S281-T285 PolarHBondContact O-OG1 2.97Å; S281-T285 VanDerWaalsContact O-OG1 3.1Å; E282-T285 WeakPolarHBondContact O-CA 3.38Å; E282-T285 VanDerWaalsContact O-CB 3.26Å; E282-T285 WeakPolarHBondContact O-CB 3.33Å; E282-T285 PolarHBondContact O-N 2.99Å; E283-T285 VanDerWaalsContact C-N 3.35Å; T285-I287 VanDerWaalsContact C-N 3.32Å; T285-I287 PolarHBondContact O-N 3.11Å; T285-S288 WeakPolarHBondContact CA-OG 3.42Å; T285-S288 CarbonylContact O-C 3.46Å; T285-S288 WeakPolarHBondContact O-CA 3.3Å; T285-S288 WeakPolarHBondContact O-CB 3.36Å; T285-S288 PolarHBondContact O-N 2.86Å; T285-S288 PolarHBondContact O-OG 2.79Å; T285-E289 HydrophobicContact CG2-CG 4.38Å; T285-E289 VanDerWaalsContact CG2-OE1 3.28Å; T285-E289 WeakPolarHBondContact CG2-OE1 3.44Å; T285-E289 PolarHBondContact O-N 2.92Å; T285-K295 PolarHBondContact OG1-NZ 3.2Å |
| 286 | L | 93.6 | Very high | 91.7 | Very high | 108 Ų | 108 | 71.5 Ų | 71.5 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.8 | -41.6 | -176.4 | -176.9 | 67.2 | 0 | 0 | 0 | 112.3 | E282 E283 S288 E289 Q290 | E282-L286 PolarHBondContact O-N 3.11Å; E283-L286 PolarHBondContact O-N 3.2Å; L286-S288 VanDerWaalsContact C-N 3.35Å; L286-E289 PolarHBondContact O-N 3.35Å; L286-Q290 VanDerWaalsContact O-CB 3.26Å; L286-Q290 WeakPolarHBondContact O-CB 3.4Å; L286-Q290 PolarHBondContact O-N 2.87Å |
| 287 | I | 92.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 70.3 Ų | 70.3 | 7% | 0.067 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.9 | -37 | 174.8 | -67.6 | 166.1 | 0 | 0 | 0 | 111 | L269 R272 E283 T285 L291 V298 F302 | L269-I287 HydrophobicContact CD2-CG2 3.7Å; R272-I287 HydrophobicContact CB-CD1 4.14Å; R272-I287 HydrophobicContact CG-CD1 4.19Å; R272-I287 HydrophobicContact CG-CG1 4.36Å; E283-I287 WeakPolarHBondContact O-CB 3.15Å; E283-I287 WeakPolarHBondContact O-CD1 3.27Å; E283-I287 WeakPolarHBondContact O-CG1 3.48Å; E283-I287 PolarHBondContact O-N 2.9Å; T285-I287 VanDerWaalsContact C-N 3.32Å; T285-I287 PolarHBondContact O-N 3.11Å; I287-L291 HydrophobicContact CG2-CD1 3.72Å; I287-L291 VanDerWaalsContact O-CB 3.31Å; I287-L291 WeakPolarHBondContact O-CB 3.44Å; I287-L291 VanDerWaalsContact O-CG 3.29Å; I287-L291 WeakPolarHBondContact O-CG 3.48Å; I287-L291 PolarHBondContact O-N 2.9Å; I287-L291 VanDerWaalsContact O-N 3.09Å; I287-V298 HydrophobicContact CB-CG1 4.27Å; I287-V298 HydrophobicContact CG2-CG1 3.72Å; I287-F302 HydrophobicContact CD1-CE2 4.15Å; I287-F302 HydrophobicContact CD1-CZ 4.03Å |
| 288 | S | 94.4 | Very high | 92.4 | Very high | 9 Ų | 9 | 67.7 Ų | 67.7 | 6% | 0.063 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.9 | -35.2 | 177.3 | 71.9 | 0 | 0 | 0 | 0 | 113 | I284 T285 L286 S292 M293 | I284-S288 VanDerWaalsContact O-CB 3.25Å; I284-S288 WeakPolarHBondContact O-CB 3.45Å; I284-S288 PolarHBondContact O-N 2.89Å; I284-S288 PolarHBondContact O-OG 3.36Å; T285-S288 WeakPolarHBondContact CA-OG 3.42Å; T285-S288 CarbonylContact O-C 3.46Å; T285-S288 WeakPolarHBondContact O-CA 3.3Å; T285-S288 WeakPolarHBondContact O-CB 3.36Å; T285-S288 PolarHBondContact O-N 2.86Å; T285-S288 PolarHBondContact O-OG 2.79Å; L286-S288 VanDerWaalsContact C-N 3.35Å; S288-S292 CarbonylContact O-C 3.56Å; S288-S292 WeakPolarHBondContact O-CA 3.33Å; S288-S292 PolarHBondContact O-N 3.16Å; S288-M293 WeakPolarHBondContact CB-O 3.18Å; S288-M293 PolarHBondContact O-N 3.36Å |
| 289 | E | 94 | Very high | 92.6 | Very high | 131 Ų | 131 | 65.4 Ų | 65.4 | 61% | 0.612 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -69.8 | -50.1 | 172.8 | -69.9 | 168.3 | 176.7 | 0 | 0 | 111 | T285 L286 L291 S292 | T285-E289 HydrophobicContact CG2-CG 4.38Å; T285-E289 VanDerWaalsContact CG2-OE1 3.28Å; T285-E289 WeakPolarHBondContact CG2-OE1 3.44Å; T285-E289 PolarHBondContact O-N 2.92Å; L286-E289 PolarHBondContact O-N 3.35Å; E289-L291 PolarHBondContact O-N 2.79Å; E289-L291 VanDerWaalsContact O-N 3.11Å; E289-S292 PolarHBondContact O-N 3.32Å |
| 290 | Q | 92.1 | Very high | 92.8 | Very high | 118 Ų | 118 | 67.1 Ų | 67.1 | 55% | 0.551 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -57.1 | -29 | 177.7 | -177.4 | 170.9 | 31.3 | 0 | 0 | 113 | L286 | L286-Q290 VanDerWaalsContact O-CB 3.26Å; L286-Q290 WeakPolarHBondContact O-CB 3.4Å; L286-Q290 PolarHBondContact O-N 2.87Å |
| 291 | L | 90.1 | Very high | 92.9 | Very high | 21 Ų | 21 | 64.7 Ų | 64.7 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 3.3 | -179.9 | -61.2 | 174.5 | 0 | 0 | 0 | 113.8 | I265 T268 L269 I287 E289 M293 | I265-L291 HydrophobicContact CG2-CB 4.37Å; I265-L291 HydrophobicContact CG2-CD1 4.1Å; I265-L291 HydrophobicContact CG2-CD2 4.43Å; T268-L291 HydrophobicContact CG2-CD2 3.89Å; L269-L291 HydrophobicContact CD1-CD1 4.4Å; L269-L291 HydrophobicContact CD2-CD1 3.65Å; L269-L291 HydrophobicContact CG-CD1 3.69Å; I287-L291 HydrophobicContact CG2-CD1 3.72Å; I287-L291 VanDerWaalsContact O-CB 3.31Å; I287-L291 WeakPolarHBondContact O-CB 3.44Å; I287-L291 VanDerWaalsContact O-CG 3.29Å; I287-L291 WeakPolarHBondContact O-CG 3.48Å; I287-L291 PolarHBondContact O-N 2.9Å; I287-L291 VanDerWaalsContact O-N 3.09Å; E289-L291 PolarHBondContact O-N 2.79Å; E289-L291 VanDerWaalsContact O-N 3.11Å; L291-M293 VanDerWaalsContact C-N 3.26Å; L291-M293 HydrophobicContact CB-CG 3.87Å; L291-M293 HydrophobicContact CB-SD 4.43Å; L291-M293 WeakPolarHBondContact O-CG 3.42Å; L291-M293 PolarHBondContact O-N 3.09Å |
| 292 | S | 91.3 | Very high | 93 | Very high | 118 Ų | 118 | 61.6 Ų | 61.6 | 83% | 0.825 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 43.5 | -175.3 | -63.8 | 0 | 0 | 0 | 0 | 113.7 | S288 E289 | S288-S292 CarbonylContact O-C 3.56Å; S288-S292 WeakPolarHBondContact O-CA 3.33Å; S288-S292 PolarHBondContact O-N 3.16Å; E289-S292 PolarHBondContact O-N 3.32Å |
| 293 | M | 90.3 | Very high | 92.9 | Very high | 30 Ų | 30 | 56.5 Ų | 56.5 | 15% | 0.148 | 29% | 0.287 | C | S | . | . | trans | -111.2 | 156.8 | -177.6 | -64.1 | -160.6 | 87.8 | 0 | 0 | 113 | I261 I265 L269 S288 L291 K295 V297 V298 | I261-M293 HydrophobicContact CD1-CE 4.37Å; I261-M293 HydrophobicContact CG1-CE 4.03Å; I261-M293 HydrophobicContact CG2-CE 4.31Å; I265-M293 HydrophobicContact CG2-CE 4.28Å; I265-M293 HydrophobicContact CG2-CG 4.31Å; I265-M293 HydrophobicContact CG2-SD 3.42Å; I265-M293 WeakPolarHBondContact CG2-SD 3.42Å; L269-M293 HydrophobicContact CD1-SD 4.42Å; S288-M293 WeakPolarHBondContact CB-O 3.18Å; S288-M293 PolarHBondContact O-N 3.36Å; L291-M293 VanDerWaalsContact C-N 3.26Å; L291-M293 HydrophobicContact CB-CG 3.87Å; L291-M293 HydrophobicContact CB-SD 4.43Å; L291-M293 WeakPolarHBondContact O-CG 3.42Å; L291-M293 PolarHBondContact O-N 3.09Å; M293-K295 PolarHBondContact O-N 3.11Å; M293-V297 HydrophobicContact CE-CB 4.39Å; M293-V297 HydrophobicContact CE-CG1 3.58Å; M293-V298 HydrophobicContact CB-CG2 3.87Å; M293-V298 HydrophobicContact SD-CG2 4.11Å | ||
| 294 | E | 91.4 | Very high | 92.9 | Very high | 92 Ų | 92 | 57 Ų | 57 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | trans | -60.9 | 122.7 | 165.2 | -177.6 | -178.6 | -172.3 | 0 | 0 | 109.9 | K256 E296 V297 V298 | K256-E294 VanDerWaalsContact NZ-CD 3.28Å; K256-E294 IonicContact NZ-OE1 2.9Å; K256-E294 PolarHBondContact NZ-OE1 2.93Å; K256-E294 IonicContact NZ-OE2 3.98Å; K256-E294 PolarHBondContact NZ-OE2 3.03Å; E294-E296 HydrophobicContact CG-CB 4.18Å; E294-E296 PolarHBondContact O-N 3.34Å; E294-V297 HydrophobicContact CB-CB 4.38Å; E294-V297 HydrophobicContact CB-CG2 3.92Å; E294-V297 HydrophobicContact CG-CG2 4.33Å; E294-V297 WeakPolarHBondContact O-CA 3.41Å; E294-V297 WeakPolarHBondContact O-CB 3.35Å; E294-V297 PolarHBondContact O-N 2.87Å; E294-V298 PolarHBondContact O-N 3.36Å | ||
| 295 | K | 92.4 | Very high | 92.9 | Very high | 79 Ų | 79 | 58.1 Ų | 58.1 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -49.2 | -37.1 | -179.4 | -173.8 | 176.6 | 171.5 | 163.3 | 0 | 113.4 | S281 I284 T285 M293 V298 R299 | S281-K295 VanDerWaalsContact O-CE 3.27Å; S281-K295 WeakPolarHBondContact O-CE 3.49Å; S281-K295 PolarHBondContact O-NZ 2.8Å; S281-K295 PolarHBondContact OG-NZ 2.98Å; I284-K295 HydrophobicContact CG2-CG 3.83Å; T285-K295 PolarHBondContact OG1-NZ 3.2Å; M293-K295 PolarHBondContact O-N 3.11Å; K295-V298 PolarHBondContact O-N 3.38Å; K295-R299 WeakPolarHBondContact O-CB 3.2Å; K295-R299 PolarHBondContact O-N 3.05Å |
| 296 | E | 92.1 | Very high | 92.6 | Very high | 84 Ų | 84 | 59.6 Ų | 59.6 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 176.2 | 177.4 | 59.2 | -170.8 | 0 | 0 | 112.8 | E294 R299 V300 | E294-E296 HydrophobicContact CG-CB 4.18Å; E294-E296 PolarHBondContact O-N 3.34Å; E296-R299 VanDerWaalsContact CD-NH2 3.3Å; E296-R299 PolarHBondContact O-N 3.18Å; E296-R299 IonicContact OE1-CZ 3.03Å; E296-R299 IonicContact OE1-NE 2.66Å; E296-R299 IonicContact OE1-NH2 2.66Å; E296-R299 PolarHBondContact OE1-NH2 2.86Å; E296-R299 IonicContact OE2-CZ 2.86Å; E296-R299 VanDerWaalsContact OE2-CZ 3.32Å; E296-R299 IonicContact OE2-NE 2.77Å; E296-R299 PolarHBondContact OE2-NE 3.06Å; E296-R299 IonicContact OE2-NH2 3.12Å; E296-R299 PolarHBondContact OE2-NH2 3.34Å; E296-R299 VanDerWaalsContact OE2-NH2 3.11Å; E296-V300 HydrophobicContact CG-CG2 4.39Å; E296-V300 VanDerWaalsContact O-CB 3.29Å; E296-V300 WeakPolarHBondContact O-CB 3.33Å; E296-V300 VanDerWaalsContact O-CG2 3.24Å; E296-V300 WeakPolarHBondContact O-CG2 3.41Å; E296-V300 PolarHBondContact O-N 3.13Å; E296-V300 VanDerWaalsContact OE1-CG2 3.31Å; E296-V300 WeakPolarHBondContact OE1-CG2 3.47Å |
| 297 | V | 93.3 | Very high | 92.2 | Very high | 21 Ų | 21 | 59.8 Ų | 59.8 | 13% | 0.127 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 176.9 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | T259 I261 M293 E294 V300 W301 | T259-V297 HydrophobicContact CG2-CG1 4.35Å; T259-V297 HydrophobicContact CG2-CG2 4.47Å; I261-V297 HydrophobicContact CD1-CG1 4.05Å; M293-V297 HydrophobicContact CE-CB 4.39Å; M293-V297 HydrophobicContact CE-CG1 3.58Å; E294-V297 HydrophobicContact CB-CB 4.38Å; E294-V297 HydrophobicContact CB-CG2 3.92Å; E294-V297 HydrophobicContact CG-CG2 4.33Å; E294-V297 WeakPolarHBondContact O-CA 3.41Å; E294-V297 WeakPolarHBondContact O-CB 3.35Å; E294-V297 PolarHBondContact O-N 2.87Å; V297-V300 PolarHBondContact O-N 3Å; V297-W301 VanDerWaalsContact O-CB 3.32Å; V297-W301 WeakPolarHBondContact O-CB 3.36Å; V297-W301 PolarHBondContact O-N 2.72Å |
| 298 | V | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.7 | -49.9 | 174.1 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | L269 I284 I287 M293 E294 K295 V300 W301 F302 | L269-V298 HydrophobicContact CD2-CG1 4.06Å; I284-V298 HydrophobicContact CG2-CB 4.15Å; I284-V298 HydrophobicContact CG2-CG1 3.99Å; I287-V298 HydrophobicContact CB-CG1 4.27Å; I287-V298 HydrophobicContact CG2-CG1 3.72Å; M293-V298 HydrophobicContact CB-CG2 3.87Å; M293-V298 HydrophobicContact SD-CG2 4.11Å; E294-V298 PolarHBondContact O-N 3.36Å; K295-V298 PolarHBondContact O-N 3.38Å; V298-V300 VanDerWaalsContact C-N 3.34Å; V298-V300 PolarHBondContact O-N 3.32Å; V298-W301 WeakPolarHBondContact O-CB 3.31Å; V298-W301 PolarHBondContact O-N 3.23Å; V298-W301 VanDerWaalsContact O-N 3.11Å; V298-F302 HydrophobicContact CG1-CD2 3.9Å; V298-F302 HydrophobicContact CG1-CE2 3.86Å; V298-F302 WeakPolarHBondContact O-CD2 3.5Å; V298-F302 PolarHBondContact O-N 3.28Å |
| 299 | R | 94.8 | Very high | 91.6 | Very high | 108 Ų | 108 | 66.2 Ų | 66.2 | 41% | 0.408 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.2 | -45.7 | 177.3 | -168.8 | -167.8 | 70.8 | 81.8 | 2.9 | 112.4 | I284 K295 E296 F302 C303 | I284-R299 HydrophobicContact CD1-CB 4.4Å; I284-R299 HydrophobicContact CD1-CG 4.15Å; I284-R299 HydrophobicContact CG2-CB 4.13Å; K295-R299 WeakPolarHBondContact O-CB 3.2Å; K295-R299 PolarHBondContact O-N 3.05Å; E296-R299 VanDerWaalsContact CD-NH2 3.3Å; E296-R299 PolarHBondContact O-N 3.18Å; E296-R299 IonicContact OE1-CZ 3.03Å; E296-R299 IonicContact OE1-NE 2.66Å; E296-R299 IonicContact OE1-NH2 2.66Å; E296-R299 PolarHBondContact OE1-NH2 2.86Å; E296-R299 IonicContact OE2-CZ 2.86Å; E296-R299 VanDerWaalsContact OE2-CZ 3.32Å; E296-R299 IonicContact OE2-NE 2.77Å; E296-R299 PolarHBondContact OE2-NE 3.06Å; E296-R299 IonicContact OE2-NH2 3.12Å; E296-R299 PolarHBondContact OE2-NH2 3.34Å; E296-R299 VanDerWaalsContact OE2-NH2 3.11Å; R299-F302 PolarHBondContact O-N 2.91Å; R299-C303 PolarHBondContact O-N 3.27Å; R299-C303 VanDerWaalsContact O-N 3.13Å; R299-C303 PolarHBondContact O-SG 2.83Å |
| 300 | V | 94.2 | Very high | 91 | Very high | 52 Ų | 52 | 67.4 Ų | 67.4 | 32% | 0.315 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.7 | -36.1 | 177.6 | 168 | 0 | 0 | 0 | 0 | 111.4 | E296 V297 V298 C303 N304 | E296-V300 HydrophobicContact CG-CG2 4.39Å; E296-V300 VanDerWaalsContact O-CB 3.29Å; E296-V300 WeakPolarHBondContact O-CB 3.33Å; E296-V300 VanDerWaalsContact O-CG2 3.24Å; E296-V300 WeakPolarHBondContact O-CG2 3.41Å; E296-V300 PolarHBondContact O-N 3.13Å; E296-V300 VanDerWaalsContact OE1-CG2 3.31Å; E296-V300 WeakPolarHBondContact OE1-CG2 3.47Å; V297-V300 PolarHBondContact O-N 3Å; V298-V300 VanDerWaalsContact C-N 3.34Å; V298-V300 PolarHBondContact O-N 3.32Å; V300-C303 PolarHBondContact O-N 2.94Å; V300-N304 WeakPolarHBondContact CG1-ND2 3.34Å; V300-N304 WeakPolarHBondContact O-CB 3.31Å; V300-N304 VanDerWaalsContact O-CG 3.25Å; V300-N304 PolarHBondContact O-N 3.35Å; V300-N304 PolarHBondContact O-ND2 3.08Å; V300-N304 VanDerWaalsContact O-ND2 3.1Å |
| 301 | W | 94.7 | Very high | 90.3 | Very high | 32 Ų | 32 | 69.8 Ų | 69.8 | 12% | 0.121 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.1 | -50.2 | 173.8 | -175 | 98.8 | 0 | 0 | 0 | 111.6 | I261 L269 F273 V297 V298 C303 N304 R305 | I261-W301 HydrophobicContact CD1-CG 4.49Å; L269-W301 VanDerWaalsContact C-CH2 3.41Å; L269-W301 HydrophobicContact CB-CD2 3.98Å; L269-W301 HydrophobicContact CB-CE3 3.92Å; L269-W301 HydrophobicContact CB-CH2 3.7Å; L269-W301 HydrophobicContact CB-CZ2 3.71Å; L269-W301 HydrophobicContact CB-CZ3 3.79Å; L269-W301 HydrophobicContact CD1-CD2 3.93Å; L269-W301 HydrophobicContact CD1-CE3 4.43Å; L269-W301 HydrophobicContact CD1-CG 3.95Å; L269-W301 HydrophobicContact CD2-CE3 4.27Å; L269-W301 HydrophobicContact CG-CD2 4.38Å; L269-W301 HydrophobicContact CG-CE3 4.44Å; L269-W301 WeakPolarHBondContact O-CH2 3.17Å; L269-W301 WeakPolarHBondContact O-CZ3 3.19Å; F273-W301 HydrophobicContact CB-CH2 3.98Å; F273-W301 HydrophobicContact CB-CZ3 3.97Å; F273-W301 HydrophobicContact CD2-CZ3 4.3Å; F273-W301 HydrophobicContact CG-CH2 4.45Å; F273-W301 HydrophobicContact CG-CZ3 4.41Å; V297-W301 VanDerWaalsContact O-CB 3.32Å; V297-W301 WeakPolarHBondContact O-CB 3.36Å; V297-W301 PolarHBondContact O-N 2.72Å; V298-W301 WeakPolarHBondContact O-CB 3.31Å; V298-W301 PolarHBondContact O-N 3.23Å; V298-W301 VanDerWaalsContact O-N 3.11Å; W301-C303 VanDerWaalsContact C-N 3.33Å; W301-C303 PolarHBondContact O-N 2.87Å; W301-N304 CarbonylContact O-C 3.58Å; W301-N304 PolarHBondContact O-N 3.27Å; W301-N304 VanDerWaalsContact O-N 3.13Å; W301-R305 HydrophobicContact CD2-CB 4.41Å; W301-R305 HydrophobicContact CE3-CB 4.12Å; W301-R305 HydrophobicContact CH2-CB 3.86Å; W301-R305 HydrophobicContact CH2-CG 3.58Å; W301-R305 HydrophobicContact CZ2-CB 4.2Å; W301-R305 HydrophobicContact CZ2-CG 4.1Å; W301-R305 HydrophobicContact CZ3-CB 3.83Å; W301-R305 HydrophobicContact CZ3-CG 3.94Å; W301-R305 WeakPolarHBondContact O-CB 3.04Å; W301-R305 PolarHBondContact O-N 3.02Å |
| 302 | F | 94.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 1% | 0.013 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 178.6 | -87.2 | -88.9 | 0 | 0 | 0 | 112.3 | L269 R272 F273 P279 I287 V298 R299 R305 R306 | L269-F302 HydrophobicContact CD2-CE2 3.82Å; R272-F302 HydrophobicContact CB-CZ 4.06Å; F273-F302 HydrophobicContact CB-CE1 4.06Å; F273-F302 AromaticContact CD2-CD1 3.85Å; F273-F302 HydrophobicContact CD2-CD1 3.85Å; F273-F302 HydrophobicContact CD2-CE1 4.08Å; P279-F302 VanDerWaalsContact CD-CD1 3.46Å; P279-F302 HydrophobicContact CG-CB 4.48Å; P279-F302 HydrophobicContact CG-CD1 3.55Å; P279-F302 HydrophobicContact CG-CD2 4Å; P279-F302 HydrophobicContact CG-CE1 3.64Å; P279-F302 HydrophobicContact CG-CE2 4.1Å; P279-F302 HydrophobicContact CG-CG 3.75Å; P279-F302 HydrophobicContact CG-CZ 3.93Å; I287-F302 HydrophobicContact CD1-CE2 4.15Å; I287-F302 HydrophobicContact CD1-CZ 4.03Å; V298-F302 HydrophobicContact CG1-CD2 3.9Å; V298-F302 HydrophobicContact CG1-CE2 3.86Å; V298-F302 WeakPolarHBondContact O-CD2 3.5Å; V298-F302 PolarHBondContact O-N 3.28Å; R299-F302 PolarHBondContact O-N 2.91Å; F302-R305 PolarHBondContact O-N 3.36Å; F302-R306 WeakPolarHBondContact O-CB 3.36Å; F302-R306 PolarHBondContact O-N 3.33Å |
| 303 | C | 91.3 | Very high | 88.1 | Confident | 36 Ų | 36 | 77 Ų | 77 | 24% | 0.243 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 172.4 | -76.8 | 0 | 0 | 0 | 0 | 112.3 | R299 V300 W301 Q307 | R299-C303 PolarHBondContact O-N 3.27Å; R299-C303 VanDerWaalsContact O-N 3.13Å; R299-C303 PolarHBondContact O-SG 2.83Å; V300-C303 PolarHBondContact O-N 2.94Å; W301-C303 VanDerWaalsContact C-N 3.33Å; W301-C303 PolarHBondContact O-N 2.87Å; C303-Q307 WeakPolarHBondContact O-CG 3.35Å; C303-Q307 PolarHBondContact O-N 2.79Å |
| 304 | N | 93 | Very high | 86.3 | Confident | 84 Ų | 84 | 79.5 Ų | 79.5 | 45% | 0.449 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.8 | -37.1 | 177.8 | -73.4 | -34 | 0 | 0 | 0 | 112.5 | V300 W301 Q307 K308 | V300-N304 WeakPolarHBondContact CG1-ND2 3.34Å; V300-N304 WeakPolarHBondContact O-CB 3.31Å; V300-N304 VanDerWaalsContact O-CG 3.25Å; V300-N304 PolarHBondContact O-N 3.35Å; V300-N304 PolarHBondContact O-ND2 3.08Å; V300-N304 VanDerWaalsContact O-ND2 3.1Å; W301-N304 CarbonylContact O-C 3.58Å; W301-N304 PolarHBondContact O-N 3.27Å; W301-N304 VanDerWaalsContact O-N 3.13Å; N304-Q307 PolarHBondContact O-N 2.85Å; N304-K308 PolarHBondContact O-N 3.49Å |
| 305 | R | 92.4 | Very high | 84.2 | Confident | 40 Ų | 40 | 80.2 Ų | 80.2 | 15% | 0.151 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 179.8 | -178.1 | 60.3 | -171.6 | 67.8 | 4.1 | 111.9 | E270 F273 W301 F302 K308 E309 | E270-R305 VanDerWaalsContact CD-NE 3.27Å; E270-R305 IonicContact OE1-CZ 3.8Å; E270-R305 IonicContact OE1-NE 2.7Å; E270-R305 PolarHBondContact OE1-NE 3.3Å; E270-R305 IonicContact OE1-NH2 3.72Å; E270-R305 PolarHBondContact OE1-NH2 3Å; E270-R305 WeakPolarHBondContact OE2-CD 3.38Å; E270-R305 IonicContact OE2-NE 2.7Å; E270-R305 PolarHBondContact OE2-NE 3.24Å; F273-R305 HydrophobicContact CB-CG 4.45Å; F273-R305 HydrophobicContact CD1-CG 3.86Å; F273-R305 HydrophobicContact CD2-CB 4.07Å; F273-R305 HydrophobicContact CD2-CG 3.54Å; F273-R305 HydrophobicContact CE1-CG 3.99Å; F273-R305 VanDerWaalsContact CE1-NH1 3.34Å; F273-R305 HydrophobicContact CE2-CB 4.09Å; F273-R305 HydrophobicContact CE2-CG 3.67Å; F273-R305 HydrophobicContact CG-CG 3.65Å; F273-R305 HydrophobicContact CZ-CG 3.9Å; W301-R305 HydrophobicContact CD2-CB 4.41Å; W301-R305 HydrophobicContact CE3-CB 4.12Å; W301-R305 HydrophobicContact CH2-CB 3.86Å; W301-R305 HydrophobicContact CH2-CG 3.58Å; W301-R305 HydrophobicContact CZ2-CB 4.2Å; W301-R305 HydrophobicContact CZ2-CG 4.1Å; W301-R305 HydrophobicContact CZ3-CB 3.83Å; W301-R305 HydrophobicContact CZ3-CG 3.94Å; W301-R305 WeakPolarHBondContact O-CB 3.04Å; W301-R305 PolarHBondContact O-N 3.02Å; F302-R305 PolarHBondContact O-N 3.36Å; R305-K308 WeakPolarHBondContact O-CB 3.45Å; R305-K308 PolarHBondContact O-N 2.99Å; R305-E309 IonicContact NH1-OE1 3.8Å; R305-E309 PolarHBondContact O-N 2.61Å |
| 306 | R | 90.3 | Very high | 82.1 | Confident | 72 Ų | 72 | 82.3 Ų | 82.3 | 27% | 0.272 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.5 | -32.8 | 173 | -170.9 | 169.4 | 57.8 | -109.8 | -4.4 | 112.8 | F273 P277 F302 K310 | F273-R306 HydrophobicContact CE2-CB 4.14Å; F273-R306 HydrophobicContact CZ-CB 4.47Å; P277-R306 PolarHBondContact O-NH1 3.08Å; F302-R306 WeakPolarHBondContact O-CB 3.36Å; F302-R306 PolarHBondContact O-N 3.33Å; R306-K310 PolarHBondContact O-N 3.23Å |
| 307 | Q | 85.1 | Confident | 79.9 | Confident | 112 Ų | 112 | 81.7 Ų | 81.7 | 52% | 0.523 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -70.5 | -35.6 | 170.3 | -74 | 178.6 | 19.5 | 0 | 0 | 112.9 | C303 N304 R311 | C303-Q307 WeakPolarHBondContact O-CG 3.35Å; C303-Q307 PolarHBondContact O-N 2.79Å; N304-Q307 PolarHBondContact O-N 2.85Å; Q307-R311 PolarHBondContact O-N 3.17Å; Q307-R311 PolarHBondContact O-NE 3.49Å |
| 308 | K | 86.8 | Confident | 77.5 | Confident | 102 Ų | 102 | 86.5 Ų | 86.5 | 44% | 0.443 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 174.3 | -175.9 | -168 | 171.5 | -164.7 | 0 | 110.4 | N304 R305 R311 I312 | N304-K308 PolarHBondContact O-N 3.49Å; R305-K308 WeakPolarHBondContact O-CB 3.45Å; R305-K308 PolarHBondContact O-N 2.99Å; K308-R311 PolarHBondContact O-N 2.62Å; K308-R311 VanDerWaalsContact O-N 3.17Å; K308-I312 HydrophobicContact CD-CD1 4.33Å; K308-I312 HydrophobicContact CG-CD1 3.89Å; K308-I312 WeakPolarHBondContact O-CG1 3.06Å; K308-I312 PolarHBondContact O-N 2.65Å |
| 309 | E | 86.4 | Confident | 75 | Confident | 56 Ų | 56 | 94.1 Ų | 94.1 | 26% | 0.262 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -54.1 | -54.9 | 176 | -178.9 | 171.4 | -98.1 | 0 | 0 | 112.6 | F273 R305 R311 I312 Y313 | F273-E309 WeakPolarHBondContact CE1-OE1 3.48Å; F273-E309 WeakPolarHBondContact CZ-OE1 3.38Å; R305-E309 IonicContact NH1-OE1 3.8Å; R305-E309 PolarHBondContact O-N 2.61Å; E309-R311 PolarHBondContact O-N 2.88Å; E309-I312 PolarHBondContact O-N 3.3Å; E309-Y313 HydrophobicContact CG-CD2 3.71Å; E309-Y313 HydrophobicContact CG-CE2 4.08Å; E309-Y313 PolarHBondContact O-N 3.34Å |
| 310 | K | 80.4 | Confident | 72.5 | Confident | 156 Ų | 156 | 93.8 Ų | 93.8 | 68% | 0.678 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.1 | -20.6 | 179.3 | -73.8 | -166.4 | 171 | -158.3 | 0 | 114.3 | R306 C314 | R306-K310 PolarHBondContact O-N 3.23Å; K310-C314 VanDerWaalsContact O-CB 3.32Å; K310-C314 WeakPolarHBondContact O-CB 3.49Å |
| 311 | R | 77.8 | Confident | 70.2 | Confident | 168 Ų | 168 | 98.1 Ų | 98.1 | 63% | 0.634 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -88.3 | -15.5 | 173 | -80.5 | -176.1 | -76.2 | 102 | -4.2 | 114.3 | Q307 K308 E309 | Q307-R311 PolarHBondContact O-N 3.17Å; Q307-R311 PolarHBondContact O-NE 3.49Å; K308-R311 PolarHBondContact O-N 2.62Å; K308-R311 VanDerWaalsContact O-N 3.17Å; E309-R311 PolarHBondContact O-N 2.88Å |
| 312 | I | 73.6 | Confident | 67.6 | Low | 97 Ų | 97 | 105.8 Ų | 105.8 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -97.5 | -37.4 | 177.8 | -68 | 173.5 | 0 | 0 | 0 | 110.8 | K308 E309 C314 P315 | K308-I312 HydrophobicContact CD-CD1 4.33Å; K308-I312 HydrophobicContact CG-CD1 3.89Å; K308-I312 WeakPolarHBondContact O-CG1 3.06Å; K308-I312 PolarHBondContact O-N 2.65Å; E309-I312 PolarHBondContact O-N 3.3Å; I312-C314 VanDerWaalsContact C-N 3.3Å; I312-C314 PolarHBondContact O-N 3.06Å; I312-P315 WeakPolarHBondContact O-CD 3.35Å; I312-P315 VanDerWaalsContact O-CG 3.27Å; I312-P315 WeakPolarHBondContact O-CG 3.3Å |
| 313 | Y | 61.6 | Low | 64.7 | Low | 193 Ų | 193 | 110.4 Ų | 110.4 | 76% | 0.757 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -86.3 | 6.4 | 176.2 | -72 | -84.1 | 0 | 0 | 0 | 114.2 | E309 | E309-Y313 HydrophobicContact CG-CD2 3.71Å; E309-Y313 HydrophobicContact CG-CE2 4.08Å; E309-Y313 PolarHBondContact O-N 3.34Å |
| 314 | C | 52.6 | Low | 62.1 | Low | 82 Ų | 82 | 116.5 Ų | 116.5 | 55% | 0.554 | 60% | 0.603 | S | S | * | * | trans | -131 | 62.8 | 171.2 | -159.7 | 0 | 0 | 0 | 0 | 113.5 | K310 I312 | K310-C314 VanDerWaalsContact O-CB 3.32Å; K310-C314 WeakPolarHBondContact O-CB 3.49Å; I312-C314 VanDerWaalsContact C-N 3.3Å; I312-C314 PolarHBondContact O-N 3.06Å | ||
| 315 | P | 48.8 | Very low | 59.4 | Low | 107 Ų | 107 | 117.7 Ų | 117.7 | 70% | 0.695 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -92.8 | -22.6 | 169.8 | 5.1 | 16.2 | 0 | 0 | 0 | 112.9 | I312 | I312-P315 WeakPolarHBondContact O-CD 3.35Å; I312-P315 VanDerWaalsContact O-CG 3.27Å; I312-P315 WeakPolarHBondContact O-CG 3.3Å |
| 316 | V | 47.7 | Very low | 56.8 | Low | 123 Ų | 123 | 125.1 Ų | 125.1 | 75% | 0.745 | 65% | 0.647 | S | S | * | * | trans | -121.2 | 76.9 | -175.5 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 317 | A | 45.5 | Very low | 54.1 | Low | 72 Ų | 72 | 128 Ų | 128 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | trans | -122.7 | 59.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | L319 | A317-L319 PolarHBondContact O-N 3.17Š| ||
| 318 | T | 43.1 | Very low | 51.7 | Low | 121 Ų | 121 | 127 Ų | 127 | 74% | 0.742 | 67% | 0.673 | S | S | * | * | trans | -53.9 | 113.6 | 167.4 | 44.6 | 0 | 0 | 0 | 0 | 108 | P320 | T318-P320 WeakPolarHBondContact O-CD 3.45Å; T318-P320 VanDerWaalsContact O-N 3.12Å | ||
| 319 | L | 40.2 | Very low | 49.5 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 84% | 0.838 | 69% | 0.693 | S | S | * | * | trans | -57.8 | 115.5 | -174.8 | -69.7 | 167.7 | 0 | 0 | 0 | 110 | A317 V321 | A317-L319 PolarHBondContact O-N 3.17Å; L319-V321 PolarHBondContact O-N 3.22Å | ||
| 320 | P | 42 | Very low | 47.3 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | trans | -65.9 | 124.1 | 162.3 | 28.7 | -31.3 | 0 | 0 | 0 | 106.9 | T318 K322 | T318-P320 WeakPolarHBondContact O-CD 3.45Å; T318-P320 VanDerWaalsContact O-N 3.12Å; P320-K322 VanDerWaalsContact C-N 3.31Å; P320-K322 PolarHBondContact O-N 2.88Å | ||
| 321 | V | 46.5 | Very low | 45.2 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 87% | 0.873 | 73% | 0.726 | S | S | * | * | trans | -63.9 | 91.9 | 179 | 178.4 | 0 | 0 | 0 | 0 | 109 | L319 S323 | L319-V321 PolarHBondContact O-N 3.22Å; V321-S323 PolarHBondContact O-N 3.49Å | ||
| 322 | K | 39.6 | Very low | 43 | Very low | 193 Ų | 193 | 132.1 Ų | 132.1 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | trans | -80.1 | 98 | 171.1 | -79.6 | -166.3 | 171.1 | -174.7 | 0 | 108.8 | P320 | P320-K322 VanDerWaalsContact C-N 3.31Å; P320-K322 PolarHBondContact O-N 2.88Å | ||
| 323 | S | 33.6 | Very low | 41.4 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | -48.5 | 153.3 | 170.8 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | V321 S325 | V321-S323 PolarHBondContact O-N 3.49Å; S323-S325 PolarHBondContact O-N 2.88Å | ||
| 324 | H | 37.9 | Very low | 40.2 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | -66.1 | 88.2 | 176.9 | -102.6 | 59.5 | 0 | 0 | 0 | 111.4 | Y326 | H324-Y326 PolarHBondContact O-N 2.83Å; H324-Y326 VanDerWaalsContact O-N 3.09Å | ||
| 325 | S | 35.8 | Very low | 39.3 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -73.7 | 93.1 | 162.2 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | S323 N327 | S323-S325 PolarHBondContact O-N 2.88Å; S325-N327 PolarHBondContact O-N 3.46Å | ||
| 326 | Y | 36.8 | Very low | 38.5 | Very low | 196 Ų | 196 | 137.1 Ų | 137.1 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -49.5 | 122.5 | 172 | -79.4 | -101.7 | 0 | 0 | 0 | 110.7 | H324 | H324-Y326 PolarHBondContact O-N 2.83Å; H324-Y326 VanDerWaalsContact O-N 3.09Å | ||
| 327 | N | 34.2 | Very low | 37.9 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -118.2 | 73.3 | 174.3 | -140.1 | -75 | 0 | 0 | 0 | 109.1 | S325 R329 | S325-N327 PolarHBondContact O-N 3.46Å; N327-R329 VanDerWaalsContact C-N 3.29Å; N327-R329 PolarHBondContact O-N 2.83Å | ||
| 328 | S | 35.3 | Very low | 37.5 | Very low | 92 Ų | 92 | 141 Ų | 141 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | trans | -68.6 | 81.2 | -178.6 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | M330 | S328-M330 PolarHBondContact O-N 3.09Š| ||
| 329 | R | 40.2 | Very low | 37.8 | Very low | 225 Ų | 225 | 141.1 Ų | 141.1 | 85% | 0.849 | 77% | 0.772 | S | S | * | * | trans | -78.4 | 77 | 166.2 | -70.2 | -171.2 | 176.9 | -168.1 | -3.6 | 109.8 | N327 | N327-R329 VanDerWaalsContact C-N 3.29Å; N327-R329 PolarHBondContact O-N 2.83Å | ||
| 330 | M | 40.6 | Very low | 37.6 | Very low | 156 Ų | 156 | 141 Ų | 141 | 77% | 0.768 | 77% | 0.772 | S | S | * | * | trans | -56.6 | 135.2 | 164.7 | -67.6 | -63 | -171.2 | 0 | 0 | 109.4 | S328 S332 | S328-M330 PolarHBondContact O-N 3.09Å; M330-S332 PolarHBondContact O-N 3.23Å | ||
| 331 | A | 36 | Very low | 37.2 | Very low | 106 Ų | 106 | 140 Ų | 140 | 88% | 0.876 | 77% | 0.772 | S | S | * | * | trans | -75.3 | 122.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 332 | S | 32.4 | Very low | 36.6 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -124.5 | 111.1 | 176.1 | -69.8 | 0 | 0 | 0 | 0 | 110.1 | M330 S334 | M330-S332 PolarHBondContact O-N 3.23Å; S332-S334 PolarHBondContact O-N 3.34Å | ||
| 333 | T | 39.1 | Very low | 36.2 | Very low | 150 Ų | 150 | 134 Ų | 134 | 92% | 0.92 | 77% | 0.774 | S | S | * | * | trans | -80.7 | 109.9 | 169.6 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 334 | S | 36 | Very low | 36.2 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -140 | 123.1 | 168.4 | 43.8 | 0 | 0 | 0 | 0 | 111.4 | S332 | S332-S334 PolarHBondContact O-N 3.34Š| ||
| 335 | R | 35.1 | Very low | 36 | Very low | 210 Ų | 210 | 132 Ų | 132 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | -76.4 | 143.8 | 163.5 | -68.6 | 169.4 | 161.5 | -163.6 | -5.7 | 108.4 | ||||
| 336 | S | 31.5 | Very low | 35.9 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -122.9 | 134.2 | 160.5 | -65.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 337 | Y | 35.4 | Very low | 35.8 | Very low | 179 Ų | 179 | 129.1 Ų | 129.1 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | -118.7 | 147.9 | -176.5 | -99.9 | -86.9 | 0 | 0 | 0 | 110.6 | ||||
| 338 | S | 37.1 | Very low | 35.6 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | 73.2 | 159 | 151.2 | -66.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 339 | P | 48.8 | Very low | 35.4 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | cis | -128.9 | 174.7 | 18.6 | 41.8 | -25.8 | 0 | 0 | 0 | 119.4 | ||||
| 340 | L | 35.2 | Very low | 35.2 | Very low | 157 Ų | 157 | 124.5 Ų | 124.5 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -44.5 | 171.5 | 161.9 | -93.4 | 67.4 | 0 | 0 | 0 | 115.8 | ||||
| 341 | A | 34.1 | Very low | 35.7 | Very low | 81 Ų | 81 | 122.5 Ų | 122.5 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | cis | -168 | 157.1 | -8.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 342 | S | 33.6 | Very low | 35.6 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -176.3 | 136.4 | 143.6 | -75.6 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 343 | G | 31.6 | Very low | 35.7 | Very low | 83 Ų | 83 | 124 Ų | 124 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | cis | 101.4 | 117.5 | 31.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 344 | G | 33.9 | Very low | 35.5 | Very low | 66 Ų | 66 | 123.8 Ų | 123.8 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | cis | 179.2 | -171.8 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 345 | V | 33.8 | Very low | 35.5 | Very low | 155 Ų | 155 | 124.2 Ų | 124.2 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | trans | 64.9 | 143.9 | 169.7 | -55.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 346 | S | 33.4 | Very low | 35.5 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -61.5 | 163.1 | -175.3 | -35.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 347 | S | 33.5 | Very low | 35.9 | Very low | 134 Ų | 134 | 127 Ų | 127 | 94% | 0.937 | 78% | 0.783 | S | S | * | * | -170.1 | 169 | 124 | -86.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 348 | N | 31.2 | Very low | 36.6 | Very low | 147 Ų | 147 | 123.4 Ų | 123.4 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -106.3 | 161.7 | -157.5 | -177.6 | 40.2 | 0 | 0 | 0 | 114.7 | ||||
| 349 | S | 31.7 | Very low | 36.6 | Very low | 91 Ų | 91 | 124 Ų | 124 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | 65.9 | 125.9 | 157.3 | -67.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 350 | S | 35.5 | Very low | 36.9 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | 6.8 | 152.4 | 122.1 | -51.4 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 351 | P | 51 | Low | 36.9 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | cis | -156.6 | 178.6 | 49.6 | 44.2 | -23.5 | 0 | 0 | 0 | 120.2 | ||||
| 352 | N | 33.7 | Very low | 36.7 | Very low | 148 Ų | 148 | 122.9 Ų | 122.9 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | 57.6 | 166.8 | 150.9 | -94.7 | 5.7 | 0 | 0 | 0 | 121.3 | ||||
| 353 | S | 34.6 | Very low | 36.9 | Very low | 91 Ų | 91 | 124 Ų | 124 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | cis | -179 | 141 | -42.7 | -96.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 354 | T | 34.6 | Very low | 36.9 | Very low | 147 Ų | 147 | 125.6 Ų | 125.6 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | 147.7 | 137.5 | 163.2 | 35.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 355 | S | 35.4 | Very low | 36.9 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | cis | -157.6 | -172.7 | -10.9 | 57.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 356 | R | 36.4 | Very low | 37 | Very low | 229 Ų | 229 | 123.5 Ų | 123.5 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | cis | -159.4 | 159.2 | 13.6 | -174.8 | 174 | 169.5 | 165.3 | -1 | 111.1 | ||||
| 357 | E | 39.3 | Very low | 37.1 | Very low | 162 Ų | 162 | 123.5 Ų | 123.5 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | -44.4 | 164.6 | 160.9 | -74.8 | -86.6 | 82.6 | 0 | 0 | 117.6 | ||||
| 358 | P | 49.7 | Very low | 37.3 | Very low | 104 Ų | 104 | 124.4 Ų | 124.4 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | cis | -138.7 | -179.6 | -19.2 | 36.8 | -17.4 | 0 | 0 | 0 | 115.7 | ||||
| 359 | S | 37.3 | Very low | 37.4 | Very low | 112 Ų | 112 | 121.6 Ų | 121.6 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -91.1 | -152.3 | 167.2 | -39.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 360 | P | 56 | Low | 37.4 | Very low | 104 Ų | 104 | 124.9 Ų | 124.9 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | cis | -145 | -164.7 | 19.3 | 44.7 | -22.1 | 0 | 0 | 0 | 117.7 | ||||
| 361 | N | 34 | Very low | 37.3 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 76.9 | 147.5 | 160.8 | -65.2 | -5.2 | 0 | 0 | 0 | 118.6 | ||||
| 362 | S | 31.6 | Very low | 36.3 | Very low | 87 Ų | 87 | 125.4 Ų | 125.4 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | cis | -160 | 148.6 | -1.4 | -116.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 363 | L | 36 | Very low | 36.3 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | trans | 56.3 | 128.7 | 141.4 | -61.2 | 169 | 0 | 0 | 0 | 124.2 | ||||
| 364 | S | 33.2 | Very low | 36.3 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 64.1 | 159.3 | 134.5 | -65 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 365 | A | 33.6 | Very low | 36.4 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | cis | -169.3 | 161.6 | -27.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 366 | A | 34.9 | Very low | 36.7 | Very low | 93 Ų | 93 | 129 Ų | 129 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 56.5 | 118.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 367 | S | 36.7 | Very low | 36.5 | Very low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | 34.6 | 120.6 | 127.4 | -48.1 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 368 | V | 36.1 | Very low | 36.2 | Very low | 153 Ų | 153 | 120 Ų | 120 | 93% | 0.927 | 77% | 0.768 | S | S | * | * | -170.6 | 171.1 | 105.3 | -88.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 369 | A | 33.9 | Very low | 35.6 | Very low | 88 Ų | 88 | 125.2 Ų | 125.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -117.9 | 153.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 370 | L | 32.4 | Very low | 35.4 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | 170.8 | 146 | 128.6 | -94.6 | 168.1 | 0 | 0 | 0 | 115.1 | |||||
| 371 | T | 33.2 | Very low | 34.4 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 75.2 | 145.8 | 158.1 | 64.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 372 | S | 30.6 | Very low | 34.9 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | 76 | 98.5 | 146.3 | -154.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 373 | Q | 33.6 | Very low | 35 | Very low | 169 Ų | 169 | 123.9 Ų | 123.9 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | 32.8 | 111.8 | 123.2 | -65.7 | -79.7 | 4.4 | 0 | 0 | 119.3 | |||||
| 374 | V | 33.3 | Very low | 34.8 | Very low | 135 Ų | 135 | 122 Ų | 122 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | -176.8 | 137 | 106.7 | 148.5 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 375 | N | 37.7 | Very low | 35.1 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -112.1 | 117.6 | -171.1 | -157.3 | 32.6 | 0 | 0 | 0 | 111.9 | ||||
| 376 | P | 40.9 | Very low | 35.1 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | trans | -85 | 112.9 | 178.1 | 31.8 | -31.6 | 0 | 0 | 0 | 111.6 | ||||
| 377 | A | 32.6 | Very low | 35.5 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -81.3 | 141 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 378 | S | 34.1 | Very low | 35.6 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | trans | -140.6 | 132.7 | -173.2 | -142.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 379 | Y | 35.4 | Very low | 35.5 | Very low | 214 Ų | 214 | 146.7 Ų | 146.7 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | 50.1 | 117.7 | 169.9 | -65.3 | -85.2 | 0 | 0 | 0 | 120.6 | ||||
| 380 | S | 33.1 | Very low | 35.7 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | -165.2 | 150.2 | 134.1 | -85.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 381 | A | 36.4 | Very low | 36.4 | Very low | 96 Ų | 96 | 147.6 Ų | 147.6 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -152.8 | 173.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 382 | P | 43.8 | Very low | 36.8 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | cis | -111.6 | 165.3 | -26.8 | 37 | -25.5 | 0 | 0 | 0 | 111.8 | ||||
| 383 | G | 33.3 | Very low | 37.2 | Very low | 66 Ų | 66 | 145 Ų | 145 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | trans | -74.3 | 132.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 384 | S | 32.8 | Very low | 37.8 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -83.2 | 135.7 | 167.6 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | Y386 | S384-Y386 PolarHBondContact O-N 3.01Š| ||
| 385 | W | 39.4 | Very low | 37.9 | Very low | 248 Ų | 248 | 149.8 Ų | 149.8 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -96.5 | 77.6 | -172.1 | -75.5 | 69.8 | 0 | 0 | 0 | 113 | ||||
| 386 | Y | 33.6 | Very low | 38 | Very low | 217 Ų | 217 | 154.8 Ų | 154.8 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | -130.4 | 103.8 | 161.8 | -89.9 | -87.3 | 0 | 0 | 0 | 110.3 | S384 | S384-Y386 PolarHBondContact O-N 3.01Š| ||
| 387 | R | 43.4 | Very low | 37.9 | Very low | 232 Ų | 232 | 156.8 Ų | 156.8 | 88% | 0.875 | 84% | 0.839 | S | S | * | * | trans | -104.8 | 98.7 | 170.2 | -168.4 | -172.5 | -61.6 | -104.8 | 4.1 | 108.5 | ||||
| 388 | T | 37.6 | Very low | 38.2 | Very low | 131 Ų | 131 | 159.6 Ų | 159.6 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -59.6 | 140 | 170.9 | 35.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 389 | W | 33.9 | Very low | 38.4 | Very low | 248 Ų | 248 | 162.9 Ų | 162.9 | 94% | 0.939 | 85% | 0.846 | S | S | * | * | trans | -87.5 | 132.8 | 169 | -83.7 | 46.6 | 0 | 0 | 0 | 108.7 | ||||
| 390 | N | 38.2 | Very low | 38.6 | Very low | 149 Ų | 149 | 159.9 Ų | 159.9 | 80% | 0.797 | 85% | 0.846 | S | S | * | * | trans | -121.5 | 120.3 | 172 | -171.1 | 41.2 | 0 | 0 | 0 | 108.2 | A392 | N390-A392 PolarHBondContact O-N 3.49Š| ||
| 391 | P | 47.6 | Very low | 38.9 | Very low | 116 Ų | 116 | 161.8 Ų | 161.8 | 75% | 0.753 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 125.3 | 178.4 | 30 | -32.4 | 0 | 0 | 0 | 110.1 | A393 | P391-A393 PolarHBondContact O-N 3.5Š|
| 392 | A | 41.8 | Very low | 39.1 | Very low | 87 Ų | 87 | 166.1 Ų | 166.1 | 72% | 0.719 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 121.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | N390 | N390-A392 PolarHBondContact O-N 3.49Š|
| 393 | A | 38.5 | Very low | 38.8 | Very low | 97 Ų | 97 | 169 Ų | 169 | 80% | 0.802 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 132.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | P391 | P391-A393 PolarHBondContact O-N 3.5Š|
| 394 | Y | 46.5 | Very low | 39.2 | Very low | 226 Ų | 226 | 176.9 Ų | 176.9 | 89% | 0.886 | 86% | 0.86 | S | S | * | * | trans | -105.1 | 120.8 | 166.3 | -103.2 | -90.5 | 0 | 0 | 0 | 108.9 | ||||
| 395 | H | 36.2 | Very low | 39.7 | Very low | 177 Ų | 177 | 182.2 Ų | 182.2 | 82% | 0.819 | 87% | 0.865 | S | S | * | * | trans | -93.8 | 123.5 | 163.5 | -110 | -85.7 | 0 | 0 | 0 | 108 | ||||
| 396 | H | 40.1 | Very low | 39.7 | Very low | 258 Ų | 258 | 176.2 Ų | 176.2 | 100% | 1.194 | 86% | 0.858 | S | S | * | * | trans | -163.7 | 0 | 130.4 | -118.2 | -61.9 | 0 | 0 | 0 | 112.4 |
Retrieved 396 of 396 residues in 444 ms
(Link to these results)