| 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 | 41.4 | Very low | 41.9 | Very low | 240 Ų | 240 | 180.1 Ų | 180.1 | 100% | 1.182 | 86% | 0.864 | S | S | * | * | 0 | 134.6 | 0 | -63.1 | 159.4 | 84.8 | 0 | 0 | 108.5 | |||||
| 2 | K | 43.3 | Very low | 41.7 | Very low | 208 Ų | 208 | 173.8 Ų | 173.8 | 90% | 0.904 | 85% | 0.853 | S | S | * | * | trans | -81.3 | 121.6 | -179.6 | -63.5 | 177.4 | -179.7 | 178 | 0 | 109.8 | ||||
| 3 | K | 42 | Very low | 41 | Very low | 212 Ų | 212 | 176.6 Ų | 176.6 | 92% | 0.922 | 86% | 0.859 | S | S | * | * | trans | -98.2 | 106.2 | 170.7 | -76.3 | -172.9 | 177 | -179.4 | 0 | 109.4 | ||||
| 4 | I | 51 | Low | 40.4 | Very low | 147 Ų | 147 | 174 Ų | 174 | 75% | 0.754 | 85% | 0.851 | S | S | * | * | trans | -86.8 | 120.3 | 177.4 | -51 | 174.5 | 0 | 0 | 0 | 108 | L6 | I4-L6 HydrophobicContact CG2-CG 4.42Š| ||
| 5 | S | 34.2 | Very low | 40 | Very low | 106 Ų | 106 | 171.9 Ų | 171.9 | 74% | 0.741 | 84% | 0.844 | S | S | * | * | trans | -103.1 | 102.7 | 175 | -168.2 | 0 | 0 | 0 | 0 | 109.8 | K7 | S5-K7 PolarHBondContact O-N 2.88Š| ||
| 6 | L | 42.9 | Very low | 39.4 | Very low | 169 Ų | 169 | 170.2 Ų | 170.2 | 89% | 0.885 | 84% | 0.839 | S | S | * | * | trans | -85.1 | 103 | 174 | -78.2 | 168.2 | 0 | 0 | 0 | 110 | I4 | I4-L6 HydrophobicContact CG2-CG 4.42Š| ||
| 7 | K | 40.7 | Very low | 39.4 | Very low | 182 Ų | 182 | 171.2 Ų | 171.2 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | trans | -101.7 | 123.7 | 165.9 | -85.9 | -174 | 175.4 | 178.4 | 0 | 110.4 | S5 | S5-K7 PolarHBondContact O-N 2.88Š| ||
| 8 | T | 43.5 | Very low | 39 | Very low | 123 Ų | 123 | 167.3 Ų | 167.3 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | trans | 63.9 | 120.8 | 150.3 | -43.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 9 | I | 40.9 | Very low | 38.8 | Very low | 161 Ų | 161 | 165.9 Ų | 165.9 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | -146.6 | 126.9 | 128.5 | -94.4 | 135.9 | 0 | 0 | 0 | 107.9 | |||||
| 10 | R | 41.8 | Very low | 38.7 | Very low | 239 Ų | 239 | 165 Ų | 165 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -94.1 | 127.9 | 154.4 | -82.3 | 179.9 | 170.7 | 174.7 | -4 | 106.6 | ||||
| 11 | K | 39.3 | Very low | 38.4 | Very low | 194 Ų | 194 | 164 Ų | 164 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -160.5 | 133.2 | 149.1 | -115.4 | 169.1 | -176 | -177.9 | 0 | 110.6 | ||||
| 12 | S | 39.9 | Very low | 37.8 | Very low | 105 Ų | 105 | 158.7 Ų | 158.7 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -83.4 | 144.7 | 170.6 | 49.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 13 | F | 32.6 | Very low | 37.2 | Very low | 210 Ų | 210 | 156 Ų | 156 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -141 | 165.5 | 149.8 | -107.9 | -80 | 0 | 0 | 0 | 110.2 | ||||
| 14 | N | 32.2 | Very low | 36.4 | Very low | 140 Ų | 140 | 154.2 Ų | 154.2 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -136.9 | 177.5 | -171.6 | -148 | -32.6 | 0 | 0 | 0 | 107.5 | ||||
| 15 | L | 34.9 | Very low | 35.3 | Very low | 143 Ų | 143 | 154.5 Ų | 154.5 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | 72.4 | 152.5 | -171.1 | -67.6 | 69.8 | 0 | 0 | 0 | 113.1 | ||||
| 16 | N | 30.3 | Very low | 35 | Very low | 144 Ų | 144 | 157.8 Ų | 157.8 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | cis | -147.8 | 170.1 | -5.5 | -128.3 | 1.4 | 0 | 0 | 0 | 113.4 | ||||
| 17 | K | 39.5 | Very low | 34.2 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | -72.8 | 129 | 163.4 | 176 | -177.1 | -180 | -178.8 | 0 | 110 | ||||
| 18 | S | 31.8 | Very low | 33.6 | Very low | 100 Ų | 100 | 156.4 Ų | 156.4 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -116.1 | 145.4 | 160.6 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 19 | K | 35.9 | Very low | 32.9 | Very low | 141 Ų | 141 | 159.1 Ų | 159.1 | 61% | 0.613 | 79% | 0.788 | S | S | * | * | trans | -124.4 | 121.8 | 168.5 | 168.5 | -149.5 | 173.8 | -156.2 | 0 | 103.1 | E21 | K19-E21 HydrophobicContact CD-CG 4.35Å; K19-E21 VanDerWaalsContact CE-CD 3.46Å; K19-E21 WeakPolarHBondContact CE-OE1 3.39Å; K19-E21 IonicContact NZ-OE1 3.99Å; K19-E21 PolarHBondContact NZ-OE1 2.6Å; K19-E21 IonicContact NZ-OE2 3.11Å; K19-E21 PolarHBondContact NZ-OE2 3.29Å | ||
| 20 | D | 36.1 | Very low | 33.3 | Very low | 147 Ų | 147 | 156.1 Ų | 156.1 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -108.4 | 145.8 | 171.6 | -66.5 | -67.1 | 0 | 0 | 0 | 108.5 | ||||
| 21 | E | 31.6 | Very low | 32.7 | Very low | 145 Ų | 145 | 149.5 Ų | 149.5 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -115.7 | 154.4 | -174.3 | -67.7 | -179.9 | 105.8 | 0 | 0 | 110.3 | K19 | K19-E21 HydrophobicContact CD-CG 4.35Å; K19-E21 VanDerWaalsContact CE-CD 3.46Å; K19-E21 WeakPolarHBondContact CE-OE1 3.39Å; K19-E21 IonicContact NZ-OE1 3.99Å; K19-E21 PolarHBondContact NZ-OE1 2.6Å; K19-E21 IonicContact NZ-OE2 3.11Å; K19-E21 PolarHBondContact NZ-OE2 3.29Å | ||
| 22 | S | 29.1 | Very low | 32.1 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | trans | -123.4 | 109.5 | 169.5 | -60.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 23 | D | 31.6 | Very low | 31.7 | Very low | 150 Ų | 150 | 146.6 Ų | 146.6 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | -93.1 | -172.9 | 173.3 | -112.2 | -38.7 | 0 | 0 | 0 | 110.9 | ||||
| 24 | F | 24.9 | Very low | 31.4 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 77% | 0.768 | 75% | 0.75 | S | S | * | * | trans | 85.1 | 129.5 | -178.2 | -69.6 | -103.8 | 0 | 0 | 0 | 115 | ||||
| 25 | E | 28.4 | Very low | 31.2 | Very low | 154 Ų | 154 | 145.8 Ų | 145.8 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | cis | -157.2 | 156.7 | -8.3 | -145.3 | 167.3 | -159.6 | 0 | 0 | 111.9 | ||||
| 26 | E | 27.1 | Very low | 31 | Very low | 175 Ų | 175 | 142 Ų | 142 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 27 | 120.1 | 150.7 | -170.8 | 165.2 | -127.1 | 0 | 0 | 122.6 | ||||
| 27 | D | 27.2 | Very low | 31.1 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | -158.7 | -178.4 | 123.7 | -145.4 | -20 | 0 | 0 | 0 | 112.3 | |||||
| 28 | Q | 27.1 | Very low | 30.9 | Very low | 180 Ų | 180 | 141 Ų | 141 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | trans | -87.1 | 159.8 | -149.6 | -72.7 | 165.4 | 36.5 | 0 | 0 | 120.2 | ||||
| 29 | Q | 28.6 | Very low | 30.9 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | -73.4 | -174.5 | 162.3 | -113.9 | -163.1 | -16.3 | 0 | 0 | 112 | ||||
| 30 | P | 50.3 | Low | 30.8 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 63% | 0.63 | 75% | 0.747 | S | S | * | * | cis | -139.6 | -172.7 | 10.2 | 41.5 | -22.2 | 0 | 0 | 0 | 117.3 | ||||
| 31 | S | 27.9 | Very low | 30.9 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | 80.9 | 150.2 | 146.1 | 79.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 32 | L | 28.2 | Very low | 30.9 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | cis | -159.4 | 145.8 | -3.7 | -128.8 | 168.7 | 0 | 0 | 0 | 111.5 | ||||
| 33 | S | 29.9 | Very low | 30.9 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | 50.8 | 167 | 156.7 | 65.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 34 | E | 26.8 | Very low | 30.7 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | cis | -149.2 | 150.7 | 17.3 | -166.1 | 78.4 | -141.1 | 0 | 0 | 110.8 | ||||
| 35 | F | 28.3 | Very low | 31 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | trans | -14.4 | 152.7 | 173.4 | -67.8 | -109.8 | 0 | 0 | 0 | 121.6 | ||||
| 36 | G | 31.5 | Very low | 31.3 | Very low | 65 Ų | 65 | 139.6 Ų | 139.6 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | cis | 151.2 | -168.7 | -2.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 37 | K | 31.8 | Very low | 31.5 | Very low | 175 Ų | 175 | 135 Ų | 135 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | trans | 78.4 | 116.8 | 176.1 | -56.7 | -153.7 | 166.9 | -167.7 | 0 | 116.8 | ||||
| 38 | D | 34.4 | Very low | 31.9 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | 70.1 | 130.3 | 80.7 | -45.5 | -27.1 | 0 | 0 | 0 | 111.3 | |||||
| 39 | D | 32 | Very low | 32.1 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | cis | -159.6 | -177.2 | -21.4 | -158.4 | 30.2 | 0 | 0 | 0 | 105.3 | ||||
| 40 | S | 34.7 | Very low | 32.3 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 53% | 0.531 | 75% | 0.747 | S | S | . | * | cis | -167.7 | 178.2 | 18.7 | 66.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 41 | L | 37.4 | Very low | 31.5 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | 60.5 | 106.1 | 146.4 | -70.6 | 166.4 | 0 | 0 | 0 | 122.1 | ||||
| 42 | F | 31 | Very low | 31.3 | Very low | 199 Ų | 199 | 133.3 Ų | 133.3 | 87% | 0.873 | 76% | 0.756 | S | S | * | * | 63.4 | 91.4 | 117 | -112.2 | -95.7 | 0 | 0 | 0 | 121.3 | |||||
| 43 | G | 30.7 | Very low | 31.4 | Very low | 70 Ų | 70 | 132.4 Ų | 132.4 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | 87.7 | 141.7 | 90.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 44 | S | 27.4 | Very low | 31.3 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | 89 | 166.3 | 158.5 | -148.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 45 | C | 31.2 | Very low | 31.6 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | trans | -140.4 | 171.9 | -154.8 | -55.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 46 | Y | 33.2 | Very low | 31.6 | Very low | 238 Ų | 238 | 133.8 Ų | 133.8 | 93% | 0.933 | 77% | 0.773 | S | S | * | * | trans | 76 | 136 | 168.4 | -53.5 | -77.4 | 0 | 0 | 0 | 118 | ||||
| 47 | G | 31.3 | Very low | 31.6 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | 176.5 | 48 | 179.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 48 | K | 35.8 | Very low | 31.7 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | 13.4 | 135.3 | 153.5 | -89.6 | 169.2 | 147.3 | -89.9 | 0 | 123.2 | ||||
| 49 | D | 31 | Very low | 31.8 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 65% | 0.647 | 77% | 0.774 | S | S | * | * | 84.8 | 144.3 | 128.7 | -70.1 | -36.4 | 0 | 0 | 0 | 123.2 | |||||
| 50 | L | 34 | Very low | 32.2 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 72.9 | 96.1 | 151 | -70.9 | 163.9 | 0 | 0 | 0 | 123.4 | ||||
| 51 | A | 32.2 | Very low | 32.3 | Very low | 90 Ų | 90 | 138 Ų | 138 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | 74.2 | 158.7 | 109.1 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 52 | S | 25.6 | Very low | 32 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | 82.7 | 124.9 | 164 | -136.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 53 | C | 29.7 | Very low | 32.2 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | trans | -131.6 | 112.4 | 163.2 | -61.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 54 | E | 28.4 | Very low | 32.6 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -88.1 | 172.5 | 151.9 | -61.1 | -175 | 119.1 | 0 | 0 | 107.2 | ||||
| 55 | V | 31.6 | Very low | 33 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | cis | -143.3 | 168 | 27.6 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 56 | N | 29.6 | Very low | 33.2 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -63.1 | 178.6 | 172.3 | -52.3 | -63 | 0 | 0 | 0 | 112.9 | ||||
| 57 | S | 30 | Very low | 33.4 | Very low | 88 Ų | 88 | 137 Ų | 137 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | 166.3 | 150.6 | 78.9 | -98.8 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 58 | E | 33.6 | Very low | 33.6 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | cis | -160.3 | 174 | -17.3 | -29.4 | -166.2 | 153.2 | 0 | 0 | 105.5 | ||||
| 59 | D | 37.7 | Very low | 33.5 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | cis | -158.7 | -164.6 | -12.7 | -171 | 14.6 | 0 | 0 | 0 | 106.5 | ||||
| 60 | E | 39.6 | Very low | 33.8 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 62% | 0.617 | 80% | 0.797 | S | S | * | * | trans | 74.4 | 132.4 | 155.1 | -75 | -93.3 | 93.1 | 0 | 0 | 117.7 | ||||
| 61 | K | 37.7 | Very low | 34.1 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 70% | 0.704 | 80% | 0.797 | S | S | * | * | cis | -158 | 129.7 | 4.7 | -174.6 | 175.3 | -148.9 | 74.3 | 0 | 113.3 | ||||
| 62 | G | 31.5 | Very low | 34.5 | Very low | 84 Ų | 84 | 144.3 Ų | 144.3 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | 91.4 | 146.6 | 144.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 63 | G | 33.7 | Very low | 35.1 | Very low | 82 Ų | 82 | 147.3 Ų | 147.3 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | 118 | 84.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 64 | K | 39.2 | Very low | 35.6 | Very low | 202 Ų | 202 | 144.4 Ų | 144.4 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -77.8 | 137.1 | 173.2 | -67.3 | 170.6 | 178.8 | 169.6 | 0 | 111.6 | ||||
| 65 | N | 35.6 | Very low | 36.3 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | -169.3 | 167.6 | 123.8 | -102.6 | -38.5 | 0 | 0 | 0 | 116 | |||||
| 66 | R | 35.6 | Very low | 36.4 | Very low | 231 Ų | 231 | 144.6 Ų | 144.6 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -64.4 | 162.6 | 179.6 | -68.2 | 166.8 | 173.2 | 157.6 | -5 | 112.2 | ||||
| 67 | S | 37.1 | Very low | 37.1 | Very low | 101 Ų | 101 | 147.1 Ų | 147.1 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | cis | -169.6 | 162.3 | 10.9 | 21.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 68 | K | 35.5 | Very low | 37.7 | Very low | 201 Ų | 201 | 155 Ų | 155 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | 56.1 | 114.1 | 151.7 | -69.6 | 175 | -179.9 | -177.7 | 0 | 118.1 | ||||
| 69 | S | 35.7 | Very low | 38.1 | Very low | 128 Ų | 128 | 156.6 Ų | 156.6 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | trans | -77.4 | 134.1 | 160.2 | 43 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 70 | E | 36.8 | Very low | 38.1 | Very low | 182 Ų | 182 | 158.6 Ų | 158.6 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | trans | -111.6 | 135.1 | 169.3 | -172.9 | 164.9 | -154.6 | 0 | 0 | 108.7 | ||||
| 71 | S | 39.8 | Very low | 38.1 | Very low | 117 Ų | 117 | 157.1 Ų | 157.1 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -135.9 | 111.8 | -171.5 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 72 | L | 40.4 | Very low | 38.1 | Very low | 156 Ų | 156 | 153.5 Ų | 153.5 | 82% | 0.817 | 84% | 0.835 | S | S | * | * | trans | -146.4 | 66.3 | -177 | -104.3 | 170.4 | 0 | 0 | 0 | 112.3 | G74 | L72-G74 PolarHBondContact O-N 3.16Å; L72-G74 VanDerWaalsContact O-N 3.11Å | ||
| 73 | M | 38.8 | Very low | 38.4 | Very low | 173 Ų | 173 | 158.1 Ų | 158.1 | 85% | 0.852 | 83% | 0.831 | S | S | * | * | trans | -71.9 | 95.8 | 167.8 | -106.7 | -80.6 | -79.3 | 0 | 0 | 110.3 | T75 | M73-T75 PolarHBondContact O-N 3.33Š| ||
| 74 | G | 39.2 | Very low | 38.6 | Very low | 70 Ų | 70 | 160.8 Ų | 160.8 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | trans | -83.6 | 107.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L72 | L72-G74 PolarHBondContact O-N 3.16Å; L72-G74 VanDerWaalsContact O-N 3.11Å | ||
| 75 | T | 43.1 | Very low | 38.4 | Very low | 124 Ų | 124 | 159.5 Ų | 159.5 | 76% | 0.761 | 82% | 0.816 | S | S | * | * | trans | -109.1 | 105.1 | 172.3 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | M73 K77 | M73-T75 PolarHBondContact O-N 3.33Å; T75-K77 PolarHBondContact O-N 3.4Å | ||
| 76 | L | 33.9 | Very low | 38.3 | Very low | 183 Ų | 183 | 158.3 Ų | 158.3 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | trans | -88.8 | 93.7 | -178.9 | -79.6 | 169.3 | 0 | 0 | 0 | 113.3 | ||||
| 77 | K | 44.4 | Very low | 38.1 | Very low | 200 Ų | 200 | 157 Ų | 157 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 117.1 | 162.6 | -98.9 | -176.4 | 175.1 | 175.9 | 0 | 110.8 | T75 | T75-K77 PolarHBondContact O-N 3.4Š|
| 78 | R | 43.7 | Very low | 37.8 | Very low | 254 Ų | 254 | 155.6 Ų | 155.6 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 133.6 | 172.7 | -166.2 | 174.1 | -69 | 154.5 | -0.2 | 110.3 | ||
| 79 | R | 41.1 | Very low | 37.8 | Very low | 209 Ų | 209 | 156.9 Ų | 156.9 | 79% | 0.789 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 155 | -174.5 | -65.8 | 166 | 60.9 | 127.9 | -3.4 | 111.9 | ||
| 80 | L | 37.4 | Very low | 37.5 | Very low | 181 Ų | 181 | 153.9 Ų | 153.9 | 95% | 0.948 | 80% | 0.803 | S | S | * | * | trans | -125.1 | 138 | 158.1 | -70.8 | 176.2 | 0 | 0 | 0 | 109.8 | ||||
| 81 | S | 39.4 | Very low | 37.2 | Very low | 102 Ų | 102 | 151.2 Ų | 151.2 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | -165.9 | 145.6 | 176.1 | 49.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 82 | A | 38.3 | Very low | 36.9 | Very low | 85 Ų | 85 | 152.1 Ų | 152.1 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | cis | -142.4 | 156.7 | 43.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 83 | K | 38.2 | Very low | 37.5 | Very low | 181 Ų | 181 | 149.8 Ų | 149.8 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | 64.1 | 136.2 | 84 | -138.2 | -171 | -179.3 | -165.3 | 0 | 111.4 | |||||
| 84 | Q | 36.9 | Very low | 37 | Very low | 139 Ų | 139 | 146.3 Ų | 146.3 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | cis | -173.6 | 127 | 42.6 | -177.9 | 160.3 | -84.3 | 0 | 0 | 114.6 | ||||
| 85 | K | 34.8 | Very low | 36.6 | Very low | 174 Ų | 174 | 149 Ų | 149 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | 53.2 | 163.2 | 140.7 | -104.2 | -178.1 | 168.8 | -153.2 | 0 | 121.2 | ||||
| 86 | Q | 34.7 | Very low | 35.8 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 63% | 0.626 | 80% | 0.795 | S | S | * | * | cis | -164.3 | 158.5 | -2.9 | -162.3 | 169.8 | -19 | 0 | 0 | 112.1 | ||||
| 87 | K | 32 | Very low | 35.7 | Very low | 203 Ų | 203 | 144.8 Ų | 144.8 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | 67.5 | 148.2 | 161.4 | -95.9 | 178.9 | 171.6 | -176.1 | 0 | 118 | ||||
| 88 | G | 30.4 | Very low | 35.1 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | cis | 165.1 | 146.3 | -15.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 89 | K | 36 | Very low | 34.6 | Very low | 228 Ų | 228 | 133.5 Ų | 133.5 | 99% | 0.991 | 76% | 0.763 | S | S | * | * | trans | 48 | 133.9 | 161.8 | -86.2 | -168.4 | 173.3 | -172.2 | 0 | 122.8 | ||||
| 90 | G | 29.3 | Very low | 34.4 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | trans | 141.7 | 104.1 | 160 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 91 | S | 29.4 | Very low | 34.3 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 88% | 0.881 | 75% | 0.751 | S | S | * | * | 85.6 | 127.1 | 69.8 | 64.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 92 | T | 32.7 | Very low | 34.2 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | trans | -94 | -176.6 | -176 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 93 | P | 53.8 | Low | 33.9 | Very low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | cis | -135.7 | -165 | -3.9 | 36.7 | -14.6 | 0 | 0 | 0 | 115.4 | ||||
| 94 | S | 29.1 | Very low | 33.9 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | 91.3 | 123.1 | 134.3 | 66.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 95 | V | 29.9 | Very low | 33.7 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | 80.8 | 135.5 | 126 | 168.1 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 96 | S | 27.2 | Very low | 33.6 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | 70.7 | 160.6 | 158.7 | 74.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 97 | S | 30.4 | Very low | 33.4 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | cis | -168.3 | 169.2 | -14.5 | 159.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 98 | A | 32.9 | Very low | 33.4 | Very low | 70 Ų | 70 | 118.4 Ų | 118.4 | 58% | 0.579 | 76% | 0.756 | S | S | * | * | trans | 71.8 | 134.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 99 | D | 33.4 | Very low | 34.5 | Very low | 147 Ų | 147 | 120.1 Ų | 120.1 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | 71.8 | 130 | 61 | -39.1 | -29.2 | 0 | 0 | 0 | 110.6 | |||||
| 100 | D | 35.8 | Very low | 34.4 | Very low | 146 Ų | 146 | 116.3 Ų | 116.3 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | cis | -157.1 | -162.5 | -8.5 | -146.1 | -41.9 | 0 | 0 | 0 | 109.1 | ||||
| 101 | D | 35.5 | Very low | 34.5 | Very low | 132 Ų | 132 | 117.8 Ų | 117.8 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | 77.5 | 107 | 141.7 | -101 | -39.5 | 0 | 0 | 0 | 121.9 | ||||
| 102 | T | 37.4 | Very low | 34.7 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | 104.7 | 137.3 | 110.3 | -92.6 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 103 | F | 32.7 | Very low | 34.6 | Very low | 183 Ų | 183 | 122.8 Ų | 122.8 | 80% | 0.803 | 74% | 0.735 | S | S | * | * | trans | 50.4 | 103.5 | 168.6 | -76.3 | -54.5 | 0 | 0 | 0 | 124.4 | ||||
| 104 | S | 38.3 | Very low | 33.5 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | 22.9 | 119 | 122.6 | -54.9 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 105 | S | 32.9 | Very low | 33.9 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | 39.7 | 115.4 | 121.3 | -54.4 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 106 | S | 30.9 | Very low | 34.1 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | 137.7 | 157.4 | 109.3 | 74.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 107 | S | 31.3 | Very low | 34.3 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | trans | 71.5 | 128.9 | 151.6 | -47.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 108 | A | 31.2 | Very low | 34.6 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -89.2 | -165.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 109 | P | 55.1 | Low | 34.7 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | cis | -138.6 | -145.4 | -0.3 | 31.4 | -4.2 | 0 | 0 | 0 | 113.6 | ||||
| 110 | I | 34 | Very low | 34.5 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | 83.4 | 140.6 | 161.8 | -62.9 | 166.5 | 0 | 0 | 0 | 116.9 | ||||
| 111 | T | 30.2 | Very low | 34.5 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 60% | 0.595 | 76% | 0.758 | S | S | * | * | cis | -166.5 | 162.4 | -34.6 | 44.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 112 | F | 33 | Very low | 34.3 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | 69.9 | 151.1 | 158.3 | -71.5 | -58.5 | 0 | 0 | 0 | 118.6 | ||||
| 113 | K | 31.9 | Very low | 33.9 | Very low | 183 Ų | 183 | 144 Ų | 144 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | cis | -138.1 | 135.8 | -2.8 | -104.2 | 158 | -178.6 | 177.6 | 0 | 106.4 | ||||
| 114 | D | 30.4 | Very low | 34.2 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | 79.2 | 113.4 | 65 | -169.3 | 19.9 | 0 | 0 | 0 | 115.4 | |||||
| 115 | V | 37 | Very low | 33.8 | Very low | 137 Ų | 137 | 143 Ų | 143 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -172.8 | 134.2 | 133.6 | 144.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 116 | R | 33.8 | Very low | 34 | Very low | 234 Ų | 234 | 145.4 Ų | 145.4 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -23.6 | 147.7 | 170.2 | -82.7 | 171.8 | -179.9 | 163.2 | 2.9 | 118 | ||||
| 117 | A | 33.2 | Very low | 34.1 | Very low | 82 Ų | 82 | 151.2 Ų | 151.2 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | cis | -148 | -171.9 | 16.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 118 | Q | 35.2 | Very low | 34 | Very low | 156 Ų | 156 | 152.8 Ų | 152.8 | 73% | 0.729 | 79% | 0.793 | S | S | * | * | cis | -141.6 | -173.8 | 17 | -107.1 | -53.4 | -9.8 | 0 | 0 | 112.9 | ||||
| 119 | R | 35.4 | Very low | 34.3 | Very low | 220 Ų | 220 | 156.4 Ų | 156.4 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | -82.7 | 163.4 | 177.5 | -59.8 | 167.1 | 175.7 | 124.4 | -7.9 | 112.6 | ||||
| 120 | S | 28.7 | Very low | 33.2 | Very low | 110 Ų | 110 | 159.9 Ų | 159.9 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | cis | -145.1 | 151.3 | 7 | -155.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 121 | L | 36.3 | Very low | 33 | Very low | 161 Ų | 161 | 164 Ų | 164 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -146.9 | 145 | 176.4 | -75 | 172.4 | 0 | 0 | 0 | 110.8 | ||||
| 122 | R | 30.8 | Very low | 33 | Very low | 244 Ų | 244 | 164 Ų | 164 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | 168.5 | 137.1 | 138.1 | -89.4 | 152 | -171.2 | -155.8 | 0.7 | 108.3 | ||||
| 123 | S | 30.6 | Very low | 33.3 | Very low | 115 Ų | 115 | 161.1 Ų | 161.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | cis | 91.3 | 147.5 | 32.4 | -162.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 124 | T | 38.9 | Very low | 33.5 | Very low | 136 Ų | 136 | 158.5 Ų | 158.5 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -80.6 | 153.3 | -157.4 | 51.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 125 | S | 28.6 | Very low | 34 | Very low | 123 Ų | 123 | 157.6 Ų | 157.6 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -150.7 | 159.6 | 156.1 | -165.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 126 | L | 37.4 | Very low | 34 | Very low | 165 Ų | 165 | 162.8 Ų | 162.8 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -97.4 | 139.6 | -176.1 | -66.1 | 161.8 | 0 | 0 | 0 | 111.8 | ||||
| 127 | R | 32.3 | Very low | 34.3 | Very low | 228 Ų | 228 | 157 Ų | 157 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -168.2 | 148.9 | 140.6 | -118 | 175.7 | 178.7 | -119.6 | -2.1 | 113.4 | ||||
| 128 | N | 30.6 | Very low | 34.3 | Very low | 146 Ų | 146 | 161.3 Ų | 161.3 | 78% | 0.781 | 82% | 0.821 | S | S | * | * | trans | -63.9 | 141 | 171.9 | -53.3 | 7 | 0 | 0 | 0 | 110.8 | ||||
| 129 | H | 37.1 | Very low | 34.3 | Very low | 168 Ų | 168 | 165.2 Ų | 165.2 | 78% | 0.778 | 83% | 0.83 | S | S | * | * | trans | -142 | 151.4 | 145.8 | -84.9 | -71 | 0 | 0 | 0 | 110.2 | ||||
| 130 | H | 31.4 | Very low | 34.5 | Very low | 181 Ų | 181 | 160.1 Ų | 160.1 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -75.8 | 150.9 | -175.1 | -65.2 | -127.3 | 0 | 0 | 0 | 110.7 | ||||
| 131 | Y | 30.5 | Very low | 34.6 | Very low | 233 Ų | 233 | 161.2 Ų | 161.2 | 91% | 0.914 | 83% | 0.827 | S | S | * | * | trans | -122.9 | 113.6 | 165.8 | -119.1 | -88.6 | 0 | 0 | 0 | 109.5 | ||||
| 132 | S | 29.7 | Very low | 34.4 | Very low | 97 Ų | 97 | 159.8 Ų | 159.8 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -111.1 | 128.3 | 169.9 | 54.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 133 | P | 39 | Very low | 34.6 | Very low | 125 Ų | 125 | 153.5 Ų | 153.5 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -81.6 | 134.3 | 178.1 | 32.4 | -32.9 | 0 | 0 | 0 | 111.4 | ||||
| 134 | T | 37.5 | Very low | 34.8 | Very low | 128 Ų | 128 | 157.3 Ų | 157.3 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -136.1 | 154.3 | 166.3 | 30 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 135 | P | 40.6 | Very low | 34.6 | Very low | 120 Ų | 120 | 159.2 Ų | 159.2 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 158 | -148 | 34.2 | -37.4 | 0 | 0 | 0 | 115.4 | ||
| 136 | W | 36.1 | Very low | 34.9 | Very low | 246 Ų | 246 | 160 Ų | 160 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 132.1 | 171.5 | -70 | 93.4 | 0 | 0 | 0 | 111.5 | ||
| 137 | P | 40.5 | Very low | 34.5 | Very low | 114 Ų | 114 | 157.9 Ų | 157.9 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 142.9 | 176.7 | -19 | 32.4 | 0 | 0 | 0 | 113.3 | ||
| 138 | L | 33.1 | Very low | 34.5 | Very low | 171 Ų | 171 | 155 Ų | 155 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 147.3 | 165.3 | -63.9 | 170.4 | 0 | 0 | 0 | 110.7 | ||
| 139 | R | 36.3 | Very low | 34.4 | Very low | 239 Ų | 239 | 155.7 Ų | 155.7 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -130 | 128.3 | 161.4 | -78.7 | -157.3 | -72.8 | -170 | -3.7 | 110.8 | ||||
| 140 | P | 38.2 | Very low | 34.1 | Very low | 113 Ų | 113 | 156.4 Ų | 156.4 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | -89 | 154.5 | 165.1 | 36 | -32.5 | 0 | 0 | 0 | 111 | ||||
| 141 | T | 31.6 | Very low | 34.1 | Very low | 132 Ų | 132 | 154 Ų | 154 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | 179.3 | 167.2 | 135.9 | 27.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 142 | N | 30.8 | Very low | 34.2 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -12.5 | 140.6 | 171 | 55.3 | -5.9 | 0 | 0 | 0 | 120.1 | ||||
| 143 | S | 35.8 | Very low | 34.4 | Very low | 111 Ų | 111 | 153.3 Ų | 153.3 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | cis | 86.1 | 93 | 28.3 | 85.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 144 | E | 34.8 | Very low | 34.3 | Very low | 195 Ų | 195 | 153.7 Ų | 153.7 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -154.3 | 168 | 149.6 | 52.2 | -165.1 | 132.6 | 0 | 0 | 110.1 | ||||
| 145 | E | 35.1 | Very low | 34 | Very low | 176 Ų | 176 | 156 Ų | 156 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -104.1 | 151.8 | -147.4 | -60.5 | 160.5 | 103.2 | 0 | 0 | 115.6 | ||||
| 146 | T | 35.5 | Very low | 33.6 | Very low | 140 Ų | 140 | 155 Ų | 155 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -164.3 | 104.7 | 143.6 | 5.9 | 0 | 0 | 0 | 0 | 111 | I148 | T146-I148 PolarHBondContact O-N 3.18Š| ||
| 147 | C | 27.8 | Very low | 33.3 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -82.2 | 116.8 | -177.3 | -64 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 148 | I | 33.1 | Very low | 33 | Very low | 168 Ų | 168 | 152 Ų | 152 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | trans | -103.1 | 99.1 | 161.6 | -60.5 | -176.3 | 0 | 0 | 0 | 108.9 | T146 M150 | T146-I148 PolarHBondContact O-N 3.18Å; I148-M150 PolarHBondContact O-N 3.22Å | ||
| 149 | K | 28.6 | Very low | 32.9 | Very low | 161 Ų | 161 | 152.6 Ų | 152.6 | 70% | 0.7 | 81% | 0.805 | S | S | * | * | trans | -77.7 | 103.9 | -178.2 | -179.1 | -168.9 | 177.1 | -158.8 | 0 | 110.4 | E151 | K149-E151 HydrophobicContact CD-CG 4.37Å; K149-E151 WeakPolarHBondContact CE-OE1 3.48Å; K149-E151 HydrophobicContact CG-CG 4.22Å; K149-E151 IonicContact NZ-OE1 2.62Å; K149-E151 PolarHBondContact NZ-OE1 2.88Å | ||
| 150 | M | 31 | Very low | 32.5 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -99.1 | 98.2 | 174.7 | -151 | 170 | -161.7 | 0 | 0 | 110.6 | I148 V152 | I148-M150 PolarHBondContact O-N 3.22Å; M150-V152 PolarHBondContact O-N 3.09Å | ||
| 151 | E | 31.7 | Very low | 32 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 62% | 0.617 | 80% | 0.797 | S | S | * | * | trans | -74.7 | 116.3 | -178.6 | -64.1 | -175.1 | 147.3 | 0 | 0 | 111.7 | K149 K153 | K149-E151 HydrophobicContact CD-CG 4.37Å; K149-E151 WeakPolarHBondContact CE-OE1 3.48Å; K149-E151 HydrophobicContact CG-CG 4.22Å; K149-E151 IonicContact NZ-OE1 2.62Å; K149-E151 PolarHBondContact NZ-OE1 2.88Å; E151-K153 VanDerWaalsContact C-N 3.29Å; E151-K153 PolarHBondContact O-N 2.79Å | ||
| 152 | V | 32.2 | Very low | 32 | Very low | 139 Ų | 139 | 146.7 Ų | 146.7 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | -74.7 | 85.6 | 169.4 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | M150 V154 | M150-V152 PolarHBondContact O-N 3.09Å; V152-V154 PolarHBondContact O-N 3.09Å | ||
| 153 | K | 33 | Very low | 32.6 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | trans | -77.1 | 84.5 | -178.5 | -171.1 | 171.7 | -173.9 | 165.7 | 0 | 111.3 | E151 K155 | E151-K153 VanDerWaalsContact C-N 3.29Å; E151-K153 PolarHBondContact O-N 2.79Å; K153-K155 PolarHBondContact O-N 2.88Å | ||
| 154 | V | 37.1 | Very low | 32.3 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -56.6 | 120.8 | 167.9 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | V152 | V152-V154 PolarHBondContact O-N 3.09Š| ||
| 155 | K | 30.3 | Very low | 32.8 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -148 | 106.8 | 169.7 | -146.6 | -174.2 | -174.3 | -164.8 | 0 | 110.8 | K153 | K153-K155 PolarHBondContact O-N 2.88Š| ||
| 156 | A | 33.8 | Very low | 32.5 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -64.2 | 148.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 157 | L | 29.9 | Very low | 32.5 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -141.5 | 141.5 | 169.5 | -169.9 | 60.2 | 0 | 0 | 0 | 110.1 | ||||
| 158 | V | 32.7 | Very low | 32.6 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -86.9 | 160.1 | -172 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 159 | H | 31.2 | Very low | 32.4 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | trans | -58.6 | 145.3 | -172.4 | -52.1 | 157.5 | 0 | 0 | 0 | 115.5 | ||||
| 160 | S | 28 | Very low | 32.5 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -171.4 | 143.8 | 162.9 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 161 | S | 29 | Very low | 32.4 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | cis | -165.2 | 150.2 | -22.1 | -77.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 162 | N | 31.1 | Very low | 32.3 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | 65.3 | 171.2 | 158 | -89.8 | 22.2 | 0 | 0 | 0 | 117.7 | ||||
| 163 | P | 43.3 | Very low | 32.2 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | cis | -131.1 | 166.8 | 14 | 42.5 | -26.7 | 0 | 0 | 0 | 118.5 | ||||
| 164 | S | 29.7 | Very low | 32 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -111.6 | 158.3 | 155.7 | 52 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 165 | P | 43.9 | Very low | 31.7 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | -155.1 | 158.1 | 70.6 | 41 | -20.7 | 0 | 0 | 0 | 118.8 | |||||
| 166 | A | 30.5 | Very low | 31.5 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -169.4 | 104.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 167 | L | 34.8 | Very low | 31.4 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 93% | 0.927 | 78% | 0.777 | S | S | * | * | 73.8 | 127.6 | 94.4 | -79.9 | 176.3 | 0 | 0 | 0 | 115.6 | |||||
| 168 | N | 29.7 | Very low | 31.2 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -90 | 149.1 | -168.7 | -70.1 | -44.6 | 0 | 0 | 0 | 114.1 | ||||
| 169 | G | 28.6 | Very low | 30.9 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -150.4 | 118.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 170 | V | 31.1 | Very low | 30.6 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -139.7 | 143.4 | -175.6 | 173.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 171 | R | 28.1 | Very low | 30.5 | Very low | 221 Ų | 221 | 135.9 Ų | 135.9 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | 115.9 | 137.1 | -178.6 | -72.6 | 175.5 | -171.6 | -73.3 | 2.8 | 110.7 | ||||
| 172 | K | 31.5 | Very low | 30.5 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | cis | -159.1 | 153.6 | 12.1 | -117.6 | 171.4 | 155.4 | -91.3 | 0 | 109.8 | ||||
| 173 | D | 29.3 | Very low | 30.3 | Very low | 101 Ų | 101 | 138 Ų | 138 | 54% | 0.54 | 75% | 0.752 | S | S | . | * | trans | 50.8 | 151 | 136 | -50.2 | -5 | 0 | 0 | 0 | 121.1 | ||||
| 174 | F | 29.3 | Very low | 29.4 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 74% | 0.737 | 75% | 0.751 | S | S | * | * | cis | -163.4 | 155 | 1.9 | -118.1 | -43.4 | 0 | 0 | 0 | 112.4 | ||||
| 175 | H | 30.7 | Very low | 29.2 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 65.4 | 135.2 | 147.4 | -82.7 | -55 | 0 | 0 | 0 | 128 | ||||
| 176 | D | 26.4 | Very low | 28.4 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -57.4 | 163.3 | 168.4 | -55.3 | -89.5 | 0 | 0 | 0 | 120.1 | ||||
| 177 | L | 31 | Very low | 28.1 | Very low | 161 Ų | 161 | 143 Ų | 143 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | -175.1 | 127.6 | 128.2 | -97.4 | 157.8 | 0 | 0 | 0 | 106.2 | |||||
| 178 | Q | 25 | Very low | 27.8 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | 53.8 | 137.2 | 51.7 | -81.3 | -161.4 | -26.1 | 0 | 0 | 115.7 | |||||
| 179 | S | 27.3 | Very low | 27.6 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 54% | 0.538 | 72% | 0.715 | S | S | . | * | cis | -165.1 | 172.2 | -27.3 | 61.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 180 | D | 25.4 | Very low | 27.5 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | trans | 53 | 130.2 | 152.7 | -47.2 | -44.8 | 0 | 0 | 0 | 122.5 | ||||
| 181 | N | 25.3 | Very low | 27.4 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | 144.5 | 155.2 | 124.1 | -79 | -71.6 | 0 | 0 | 0 | 113.1 | |||||
| 182 | V | 27.8 | Very low | 27.2 | Very low | 107 Ų | 107 | 139 Ų | 139 | 65% | 0.648 | 71% | 0.708 | S | S | * | * | cis | -176.1 | 132 | -43 | 123 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 183 | F | 27.2 | Very low | 27 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 81% | 0.811 | 71% | 0.711 | S | S | * | * | trans | 71.3 | 163 | 155.5 | -85.2 | -122.3 | 0 | 0 | 0 | 123.6 | ||||
| 184 | Q | 25.5 | Very low | 26.8 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | 89 | 131.7 | 147.6 | -137 | 150.6 | 28.1 | 0 | 0 | 119.2 | ||||
| 185 | E | 24.6 | Very low | 26.6 | Very low | 128 Ų | 128 | 138 Ų | 138 | 60% | 0.598 | 73% | 0.725 | S | S | * | * | cis | -165.6 | 162.1 | -27.2 | -119.3 | -174.7 | 119 | 0 | 0 | 111.6 | ||||
| 186 | Q | 27.3 | Very low | 26.6 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | 52.7 | 157.8 | 146.3 | -66.4 | -173 | 26.6 | 0 | 0 | 125 | ||||
| 187 | N | 25.3 | Very low | 26.7 | Very low | 117 Ų | 117 | 141 Ų | 141 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | trans | 94.1 | 98.4 | 142.2 | -72.1 | -40.8 | 0 | 0 | 0 | 122.6 | ||||
| 188 | N | 26.5 | Very low | 26.5 | Very low | 139 Ų | 139 | 137 Ų | 137 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | 61.5 | 95.5 | 113.9 | -70.2 | -34.8 | 0 | 0 | 0 | 121.8 | |||||
| 189 | A | 25.7 | Very low | 26.6 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 72% | 0.719 | 74% | 0.742 | S | S | * | * | 63.1 | 156.4 | 103 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 190 | L | 28.2 | Very low | 26.9 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | trans | 90.7 | 127.2 | 152.9 | -81 | 157 | 0 | 0 | 0 | 122 | ||||
| 191 | K | 28.2 | Very low | 27.2 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 73% | 0.726 | 76% | 0.761 | S | S | * | * | trans | 92.4 | 118.3 | 148.9 | -71.1 | 169.1 | 179.8 | 176 | 0 | 121.1 | ||||
| 192 | N | 23.8 | Very low | 27.5 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | 45.1 | 145.8 | 116.8 | -47.8 | 12.9 | 0 | 0 | 0 | 119 | |||||
| 193 | T | 27.6 | Very low | 27.5 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | cis | -154.8 | 173.3 | 26.9 | -30.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 194 | E | 24.4 | Very low | 27.9 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -64.8 | 156.1 | 177.7 | -53.5 | 136 | 107.7 | 0 | 0 | 113.8 | ||||
| 195 | S | 26.1 | Very low | 28.1 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | 171.2 | 154.5 | 111 | -76 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 196 | Q | 30.1 | Very low | 28.4 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | 81 | 113 | 158.1 | -50.1 | -144.9 | -7 | 0 | 0 | 121.4 | ||||
| 197 | N | 27.6 | Very low | 28.7 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | -8 | 142.7 | 139.8 | -54.8 | -19.1 | 0 | 0 | 0 | 118.2 | ||||
| 198 | G | 27.8 | Very low | 29 | Very low | 76 Ų | 76 | 150.1 Ų | 150.1 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 173.5 | 75 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 199 | D | 26.4 | Very low | 29.4 | Very low | 164 Ų | 164 | 149 Ų | 149 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | 64.5 | 173 | 149.8 | -147.4 | 3.2 | 0 | 0 | 0 | 120 | ||||
| 200 | L | 33.8 | Very low | 29.7 | Very low | 154 Ų | 154 | 150.5 Ų | 150.5 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -104 | 123.6 | -167.8 | -68.7 | 153.7 | 0 | 0 | 0 | 112.4 | ||||
| 201 | H | 32.2 | Very low | 29.9 | Very low | 177 Ų | 177 | 149.8 Ų | 149.8 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | trans | -149.8 | 120.8 | 149.1 | -147.3 | -86.1 | 0 | 0 | 0 | 113.3 | ||||
| 202 | L | 30.8 | Very low | 30.4 | Very low | 164 Ų | 164 | 148 Ų | 148 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -76.4 | 128.9 | 163.5 | -73.7 | 167.4 | 0 | 0 | 0 | 108.5 | ||||
| 203 | R | 27.9 | Very low | 30.6 | Very low | 212 Ų | 212 | 144.6 Ų | 144.6 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -131.2 | 129.2 | 162 | -165.5 | 173.8 | 175.7 | 172.3 | 0.3 | 109.6 | D205 | R203-D205 IonicContact NE-OD2 3.15Å; R203-D205 IonicContact NH2-OD2 2.72Å | ||
| 204 | I | 36.5 | Very low | 30.9 | Very low | 160 Ų | 160 | 146 Ų | 146 | 82% | 0.821 | 79% | 0.792 | S | S | * | * | trans | -103.3 | 111.4 | -179.6 | -64.6 | 163.5 | 0 | 0 | 0 | 107.3 | ||||
| 205 | D | 28.7 | Very low | 31.4 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 63% | 0.626 | 79% | 0.794 | S | S | * | * | trans | -165.5 | 149.5 | 164.2 | -84.5 | -46 | 0 | 0 | 0 | 104.7 | R203 | R203-D205 IonicContact NE-OD2 3.15Å; R203-D205 IonicContact NH2-OD2 2.72Å | ||
| 206 | E | 32 | Very low | 31.8 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | cis | -145.7 | -178.1 | 2.6 | -145.4 | 172.9 | 176.3 | 0 | 0 | 109.2 | ||||
| 207 | H | 32.2 | Very low | 32 | Very low | 192 Ų | 192 | 145.7 Ų | 145.7 | 89% | 0.889 | 79% | 0.791 | S | S | * | * | trans | -80.4 | 132.5 | -173.7 | -63.7 | -20.1 | 0 | 0 | 0 | 114.5 | ||||
| 208 | V | 32.8 | Very low | 32.1 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | trans | -128.6 | 127.4 | 168.7 | -176.7 | 0 | 0 | 0 | 0 | 110 | V210 | V208-V210 PolarHBondContact O-N 2.85Š| ||
| 209 | P | 34.1 | Very low | 32.5 | Very low | 116 Ų | 116 | 151.8 Ų | 151.8 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -81 | 105.3 | -176.6 | 31.1 | -33.9 | 0 | 0 | 0 | 112.3 | V211 | P209-V211 PolarHBondContact O-N 2.98Š| ||
| 210 | V | 33.3 | Very low | 33 | Very low | 118 Ų | 118 | 150 Ų | 150 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | trans | -80.9 | 107.5 | 174.3 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | V208 I212 | V208-V210 PolarHBondContact O-N 2.85Å; V210-I212 HydrophobicContact CG1-CG1 3.8Å; V210-I212 PolarHBondContact O-N 2.86Å; V210-I212 VanDerWaalsContact O-N 3.16Å | ||
| 211 | V | 31.5 | Very low | 32.6 | Very low | 139 Ų | 139 | 150.7 Ų | 150.7 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | -76.8 | 95.6 | 171.3 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | P209 G213 | P209-V211 PolarHBondContact O-N 2.98Å; V211-G213 PolarHBondContact O-N 2.67Å; V211-G213 VanDerWaalsContact O-N 3.16Å | ||
| 212 | I | 38.4 | Very low | 32.7 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 67% | 0.667 | 78% | 0.776 | S | S | * | * | trans | -83.1 | 90.3 | 175.4 | -52.9 | -178.8 | 0 | 0 | 0 | 109.5 | V210 L214 | V210-I212 HydrophobicContact CG1-CG1 3.8Å; V210-I212 PolarHBondContact O-N 2.86Å; V210-I212 VanDerWaalsContact O-N 3.16Å; I212-L214 HydrophobicContact CG2-CD2 3.65Å; I212-L214 HydrophobicContact CG2-CG 3.99Å; I212-L214 PolarHBondContact O-N 2.95Å | ||
| 213 | G | 28.4 | Very low | 32.9 | Very low | 71 Ų | 71 | 149.2 Ų | 149.2 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | -73.7 | 108 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V211 | V211-G213 PolarHBondContact O-N 2.67Å; V211-G213 VanDerWaalsContact O-N 3.16Å | ||
| 214 | L | 34.2 | Very low | 33.5 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -90.9 | 105.1 | 177.2 | -65.6 | 178 | 0 | 0 | 0 | 111.2 | I212 | I212-L214 HydrophobicContact CG2-CD2 3.65Å; I212-L214 HydrophobicContact CG2-CG 3.99Å; I212-L214 PolarHBondContact O-N 2.95Å | ||
| 215 | M | 34 | Very low | 33.6 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -82.9 | 146.6 | 157.6 | -78.5 | -67.9 | 105.9 | 0 | 0 | 110 | Q217 | M215-Q217 PolarHBondContact O-N 3.31Š| ||
| 216 | P | 35.9 | Very low | 34.2 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -85 | 105.8 | -175.2 | 32.5 | -33 | 0 | 0 | 0 | 111.7 | ||||
| 217 | Q | 33.4 | Very low | 34.6 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -132 | 147.9 | 165.2 | -76.3 | -172.8 | -26.5 | 0 | 0 | 112.1 | M215 | M215-Q217 PolarHBondContact O-N 3.31Š| ||
| 218 | D | 30.3 | Very low | 34.9 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | 66 | 121.3 | 162.5 | -54.1 | -21.7 | 0 | 0 | 0 | 121.5 | I220 | D218-I220 PolarHBondContact O-N 3.04Š| ||
| 219 | Y | 36.3 | Very low | 34.8 | Very low | 229 Ų | 229 | 142.4 Ų | 142.4 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | -68.9 | 112.4 | 170 | -111.1 | -105 | 0 | 0 | 0 | 110.2 | Q221 | Y219-Q221 PolarHBondContact O-N 3.45Š| ||
| 220 | I | 35.3 | Very low | 34.7 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 65% | 0.651 | 78% | 0.783 | S | S | * | * | trans | -73.9 | 97.1 | 171.7 | -53.2 | -179.5 | 0 | 0 | 0 | 109.5 | D218 Y222 | D218-I220 PolarHBondContact O-N 3.04Å; I220-Y222 HydrophobicContact CB-CD2 4.44Å; I220-Y222 HydrophobicContact CB-CE2 4.14Å; I220-Y222 HydrophobicContact CG2-CD2 3.78Å; I220-Y222 HydrophobicContact CG2-CE1 4.5Å; I220-Y222 HydrophobicContact CG2-CE2 3.4Å; I220-Y222 HydrophobicContact CG2-CG 4.49Å; I220-Y222 PolarHBondContact O-N 3.24Å | ||
| 221 | Q | 26.2 | Very low | 34.9 | Very low | 167 Ų | 167 | 151 Ų | 151 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | -75.5 | 88.4 | 178.2 | -170.9 | 178 | 22.7 | 0 | 0 | 111 | Y219 T223 | Y219-Q221 PolarHBondContact O-N 3.45Å; Q221-T223 PolarHBondContact O-N 2.81Å | ||
| 222 | Y | 33.7 | Very low | 35.3 | Very low | 194 Ų | 194 | 150.1 Ų | 150.1 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | -72.4 | 87.3 | 173 | -79.7 | -76.1 | 0 | 0 | 0 | 111.8 | I220 V224 | I220-Y222 HydrophobicContact CB-CD2 4.44Å; I220-Y222 HydrophobicContact CB-CE2 4.14Å; I220-Y222 HydrophobicContact CG2-CD2 3.78Å; I220-Y222 HydrophobicContact CG2-CE1 4.5Å; I220-Y222 HydrophobicContact CG2-CE2 3.4Å; I220-Y222 HydrophobicContact CG2-CG 4.49Å; I220-Y222 PolarHBondContact O-N 3.24Å; Y222-V224 PolarHBondContact O-N 3.49Å | ||
| 223 | T | 36 | Very low | 35.1 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 118.7 | 168.7 | -55.1 | 0 | 0 | 0 | 0 | 109.9 | Q221 | Q221-T223 PolarHBondContact O-N 2.81Š|
| 224 | V | 40.5 | Very low | 35.4 | Very low | 117 Ų | 117 | 158.1 Ų | 158.1 | 71% | 0.709 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 133.4 | 173 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | Y222 L226 | Y222-V224 PolarHBondContact O-N 3.49Å; V224-L226 PolarHBondContact O-N 3.11Å |
| 225 | P | 37.4 | Very low | 35.2 | Very low | 121 Ų | 121 | 154.4 Ų | 154.4 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 134.2 | 173.7 | -25.8 | 35 | 0 | 0 | 0 | 111.5 | ||
| 226 | L | 42.4 | Very low | 35 | Very low | 168 Ų | 168 | 152.1 Ų | 152.1 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 156 | 173.1 | -71.3 | 171.1 | 0 | 0 | 0 | 110.5 | V224 | V224-L226 PolarHBondContact O-N 3.11Š|
| 227 | D | 40.7 | Very low | 34.6 | Very low | 169 Ų | 169 | 158.4 Ų | 158.4 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 123.5 | -176 | -160.6 | 26.7 | 0 | 0 | 0 | 110.7 | ||
| 228 | E | 37.4 | Very low | 34.3 | Very low | 196 Ų | 196 | 155.4 Ų | 155.4 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -104.4 | 108.7 | -176.8 | -175.1 | 170.7 | -159.2 | 0 | 0 | 109.9 | ||||
| 229 | G | 31.9 | Very low | 34.1 | Very low | 61 Ų | 61 | 158.6 Ų | 158.6 | 63% | 0.629 | 82% | 0.816 | S | S | * | * | trans | -162.9 | 42.8 | -162 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 230 | M | 32 | Very low | 33.8 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -142.2 | 99.6 | 164.4 | -86.2 | -62.1 | -174 | 0 | 0 | 111.9 | ||||
| 231 | Y | 35.9 | Very low | 33.5 | Very low | 228 Ų | 228 | 155.7 Ų | 155.7 | 89% | 0.894 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 127.2 | 168.6 | -78.4 | -87.5 | 0 | 0 | 0 | 110.9 | ||
| 232 | P | 40.6 | Very low | 33.7 | Very low | 121 Ų | 121 | 154.6 Ų | 154.6 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 125.7 | 158.3 | 30.7 | -27.4 | 0 | 0 | 0 | 109.8 | ||
| 233 | L | 35.6 | Very low | 33.3 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 125.3 | 173.4 | -175.5 | 66.6 | 0 | 0 | 0 | 109.8 | ||
| 234 | E | 34.6 | Very low | 33.3 | Very low | 195 Ų | 195 | 148.7 Ų | 148.7 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 142 | -175.8 | -167.7 | 173.8 | -150.7 | 0 | 0 | 112.7 | ||
| 235 | G | 28.9 | Very low | 33 | Very low | 68 Ų | 68 | 148.5 Ų | 148.5 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | -150.3 | 74.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 236 | S | 29.8 | Very low | 33.8 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 45 | 93.6 | 148.4 | -61.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 237 | R | 28.7 | Very low | 33.2 | Very low | 254 Ų | 254 | 147 Ų | 147 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | 33.6 | 124.6 | 134.5 | -66.8 | -178.4 | 172.3 | -177.1 | -3 | 120.7 | ||||
| 238 | S | 25.4 | Very low | 32.8 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -146.6 | 149.9 | 142.3 | -169.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 239 | Y | 27.5 | Very low | 32.5 | Very low | 212 Ų | 212 | 142.9 Ų | 142.9 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -52.4 | 158.9 | -171.8 | -48 | -87.7 | 0 | 0 | 0 | 115 | ||||
| 240 | C | 28.7 | Very low | 32.3 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | -156.4 | 170.3 | 54.1 | -78.3 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 241 | L | 30.8 | Very low | 32.1 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -67.2 | 173.6 | 168.5 | -68.5 | 161.9 | 0 | 0 | 0 | 113.5 | ||||
| 242 | D | 28.5 | Very low | 31.7 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | cis | -178.9 | 169 | -19.4 | 179.2 | 29 | 0 | 0 | 0 | 109.1 | ||||
| 243 | S | 26.6 | Very low | 30.9 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 60% | 0.601 | 78% | 0.775 | S | S | * | * | trans | 64.8 | 121.8 | 172 | -166.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 244 | S | 34.7 | Very low | 30.4 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | 71 | 137.7 | 51.1 | 100.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 245 | S | 35 | Very low | 30 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | cis | -168.2 | -165.7 | -5.3 | -93.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 246 | P | 54.7 | Low | 29.9 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | cis | -122.6 | -158.6 | -8.5 | 35.8 | -12.1 | 0 | 0 | 0 | 111.1 | ||||
| 247 | M | 28.6 | Very low | 29.6 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | cis | -161.3 | 127.5 | 17.5 | -159.2 | 156.9 | 172.7 | 0 | 0 | 113.8 | ||||
| 248 | E | 33.2 | Very low | 29.5 | Very low | 163 Ų | 163 | 124.3 Ų | 124.3 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | 55.8 | 153.9 | 142.3 | -64.3 | -173.9 | 153.3 | 0 | 0 | 122 | ||||
| 249 | V | 31.5 | Very low | 29.5 | Very low | 115 Ų | 115 | 127 Ų | 127 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | cis | -148.9 | 154.6 | 6.5 | 93.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 250 | S | 26.7 | Very low | 29.4 | Very low | 96 Ų | 96 | 120.9 Ų | 120.9 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | 28.8 | 146.4 | 152.8 | -58 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 251 | T | 27.9 | Very low | 29.2 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | cis | -162 | 139.9 | -4.2 | 14.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 252 | V | 27.3 | Very low | 29 | Very low | 128 Ų | 128 | 122.7 Ų | 122.7 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | 2.7 | 143.7 | 128.6 | 178.3 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 253 | S | 24.1 | Very low | 28.9 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | cis | -177.7 | 165.2 | -19.2 | -88.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 254 | S | 25.1 | Very low | 29 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | trans | 62.2 | 127.5 | 146.8 | -65.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 255 | Q | 26.8 | Very low | 28.5 | Very low | 180 Ų | 180 | 128 Ų | 128 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | trans | 57 | 136.9 | 135.2 | -56.8 | 175.4 | -27 | 0 | 0 | 118.3 | ||||
| 256 | V | 26.2 | Very low | 28 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | -158.5 | 165 | 59.9 | 160 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 257 | G | 24.5 | Very low | 26.7 | Very low | 80 Ų | 80 | 129 Ų | 129 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | -64.3 | -176.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 258 | G | 26.5 | Very low | 26.7 | Very low | 76 Ų | 76 | 128 Ų | 128 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | trans | -167.1 | 144.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 259 | N | 24.1 | Very low | 26.4 | Very low | 166 Ų | 166 | 126.2 Ų | 126.2 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | trans | -101.1 | 173.2 | -179.8 | -77.3 | -13.5 | 0 | 0 | 0 | 111.6 | ||||
| 260 | A | 26.3 | Very low | 26.4 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | trans | 88.8 | 114.4 | 145.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 261 | F | 25.4 | Very low | 26.5 | Very low | 187 Ų | 187 | 130.1 Ų | 130.1 | 82% | 0.82 | 74% | 0.74 | S | S | * | * | 42.5 | 141.2 | 115.9 | -64.2 | -68.9 | 0 | 0 | 0 | 122.6 | |||||
| 262 | H | 26.2 | Very low | 26.7 | Very low | 145 Ų | 145 | 130 Ų | 130 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | 70.9 | 143.6 | 149.9 | -82.4 | -121.2 | 0 | 0 | 0 | 117 | ||||
| 263 | E | 26.6 | Very low | 26.9 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | cis | -156.4 | -159.6 | -14 | -151.1 | 161.1 | -156.9 | 0 | 0 | 109.3 | ||||
| 264 | E | 26.9 | Very low | 27.2 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | trans | -14.5 | 156.3 | 146.7 | -78.6 | 178.1 | 142 | 0 | 0 | 118.3 | ||||
| 265 | E | 26.1 | Very low | 27.6 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | cis | -159.6 | 175.5 | 21.9 | -141.3 | -162.6 | 123.3 | 0 | 0 | 112.9 | ||||
| 266 | S | 24 | Very low | 27.7 | Very low | 81 Ų | 81 | 127.1 Ų | 127.1 | 57% | 0.566 | 74% | 0.738 | S | S | * | * | trans | 34.2 | 150.4 | 134.7 | -74.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 267 | Q | 27.4 | Very low | 27.8 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | cis | -177.3 | -179.5 | -5.7 | 180 | 175.7 | 16.6 | 0 | 0 | 107.9 | ||||
| 268 | V | 28.6 | Very low | 28.3 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | 77.9 | 112 | 166.4 | -164.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 269 | D | 27.1 | Very low | 28.4 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | cis | 98.7 | 136.4 | 26.4 | -164 | 7.7 | 0 | 0 | 0 | 114 | ||||
| 270 | Q | 30.9 | Very low | 28.8 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 73% | 0.729 | 72% | 0.717 | S | S | * | * | trans | 62.5 | 143.8 | 173.1 | -83.6 | 147.7 | 75.9 | 0 | 0 | 119 | ||||
| 271 | D | 29.5 | Very low | 29.2 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | cis | -166.2 | 178.7 | -13.2 | -154 | -16.3 | 0 | 0 | 0 | 110.2 | ||||
| 272 | V | 32 | Very low | 30.3 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | trans | 70.1 | 135.8 | 151.9 | 158.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 273 | V | 31.1 | Very low | 30.9 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | cis | -167.6 | 153.5 | -22.9 | 86.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 274 | V | 30.5 | Very low | 31.1 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | 62 | 138.7 | 166.4 | 164.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 275 | A | 32 | Very low | 31.3 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | cis | -165.6 | 170.7 | -25.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 276 | S | 29.4 | Very low | 31.4 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | cis | -140.1 | -157.9 | 13.7 | -51.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 277 | D | 29.6 | Very low | 31.6 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | cis | -157.9 | -176.1 | 10.2 | -134.6 | -52.5 | 0 | 0 | 0 | 113.2 | ||||
| 278 | I | 33.7 | Very low | 31.9 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -51.4 | 115.7 | -178.5 | -67.3 | 156.6 | 0 | 0 | 0 | 113.6 | ||||
| 279 | F | 29.5 | Very low | 32 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | 59.5 | 119.4 | 78.6 | -83.7 | -105 | 0 | 0 | 0 | 115.1 | |||||
| 280 | V | 32.5 | Very low | 32 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | cis | 94.2 | 134.8 | 38.7 | 175.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 281 | D | 35.2 | Very low | 32.2 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | -22.3 | 157.9 | 161.2 | -98.7 | -61 | 0 | 0 | 0 | 118.1 | ||||
| 282 | P | 48.3 | Very low | 32.4 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | -155 | -175.2 | 60.2 | 42.9 | -21.4 | 0 | 0 | 0 | 118.8 | |||||
| 283 | A | 37.6 | Very low | 32.4 | Very low | 83 Ų | 83 | 123.2 Ų | 123.2 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | trans | -98.8 | 154.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 284 | V | 32 | Very low | 32.5 | Very low | 131 Ų | 131 | 124.7 Ų | 124.7 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | -178 | 149.6 | 129.7 | -90.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 285 | N | 29.5 | Very low | 32.6 | Very low | 162 Ų | 162 | 125.5 Ų | 125.5 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | trans | 35.2 | 122.4 | 148.7 | -57.7 | -19.9 | 0 | 0 | 0 | 121.6 | ||||
| 286 | G | 28.1 | Very low | 32.6 | Very low | 85 Ų | 85 | 127.9 Ų | 127.9 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | -165.5 | 141.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 287 | L | 29.9 | Very low | 32.5 | Very low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -120.5 | 161.5 | -170.9 | -164.1 | 77.5 | 0 | 0 | 0 | 111.4 | ||||
| 288 | L | 32.6 | Very low | 32.4 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 71% | 0.707 | 78% | 0.776 | S | S | * | * | trans | 94 | 112.9 | 157.2 | -54.1 | 174.3 | 0 | 0 | 0 | 122.3 | ||||
| 289 | I | 30.5 | Very low | 33 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 82% | 0.821 | 78% | 0.778 | S | S | * | * | 46.7 | 122 | 119.7 | -54.5 | 177.3 | 0 | 0 | 0 | 122 | |||||
| 290 | G | 28.2 | Very low | 33.1 | Very low | 64 Ų | 64 | 132 Ų | 132 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | trans | 95.7 | 161.7 | 139.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 291 | T | 33.9 | Very low | 32.9 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | cis | -167.6 | 173.1 | -15.1 | -3.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 292 | T | 34.7 | Very low | 32.5 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | 75.1 | 153.1 | 171.9 | 77.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 293 | G | 32.1 | Very low | 31.7 | Very low | 64 Ų | 64 | 134.5 Ų | 134.5 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | cis | 164.8 | 171.9 | -11.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 294 | V | 32.9 | Very low | 31.6 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | 75.4 | 160.2 | 165.3 | -166.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 295 | M | 33.3 | Very low | 31.6 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | -166.5 | 144.3 | -78.8 | -130.2 | -166.2 | 169 | 0 | 0 | 112.3 | |||||
| 296 | L | 30.5 | Very low | 32.1 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | trans | 62.7 | 165.5 | 158.5 | -59.1 | 165.3 | 0 | 0 | 0 | 116.4 | ||||
| 297 | Q | 28.2 | Very low | 32.6 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | cis | -150.9 | 172.6 | 0.3 | -141.3 | 161.1 | 57.5 | 0 | 0 | 110.8 | ||||
| 298 | S | 28 | Very low | 33.4 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -129.1 | 163.8 | 170.8 | -45.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 299 | P | 46 | Very low | 33.3 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | -156.9 | 160.3 | 90.7 | 39.9 | -21 | 0 | 0 | 0 | 118.5 | |||||
| 300 | R | 30.7 | Very low | 33.5 | Very low | 233 Ų | 233 | 134.6 Ų | 134.6 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | 33 | 146.6 | 141.5 | -66 | -177.4 | 169.6 | 168.3 | -3.6 | 121 | ||||
| 301 | V | 29 | Very low | 33.8 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | -155.8 | 137.4 | 56.8 | 165.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 302 | N | 27 | Very low | 33.5 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 31.8 | 123.1 | 156.3 | -52.5 | -2.3 | 0 | 0 | 0 | 122.6 | ||||
| 303 | H | 31.1 | Very low | 33.5 | Very low | 183 Ų | 183 | 140.7 Ų | 140.7 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | -156.5 | 147.9 | 107.2 | -119.2 | -90 | 0 | 0 | 0 | 112.3 | |||||
| 304 | S | 35.5 | Very low | 33.8 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | 10.3 | 109.4 | 167.9 | 53.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 305 | D | 32.4 | Very low | 34.2 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -173.7 | 136.2 | 140.8 | -108.9 | -25.8 | 0 | 0 | 0 | 112.3 | ||||
| 306 | V | 40 | Very low | 34.2 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -156.4 | 124.6 | 167.9 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 307 | P | 37.4 | Very low | 34.2 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | -130.1 | 151.9 | 126.1 | 36.9 | -30.4 | 0 | 0 | 0 | 112.9 | |||||
| 308 | P | 46.3 | Very low | 34.3 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -83.9 | 158.4 | -178.2 | 34 | -35.5 | 0 | 0 | 0 | 114.1 | ||||
| 309 | L | 31.8 | Very low | 34.3 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -79.2 | 128 | -174.2 | -65.3 | 165.4 | 0 | 0 | 0 | 113.8 | ||||
| 310 | S | 33.4 | Very low | 33.8 | Very low | 113 Ų | 113 | 147 Ų | 147 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -175.4 | 134.5 | 150.9 | -81.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 311 | P | 35.5 | Very low | 33.9 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -119.4 | 103.8 | 160.4 | 33 | -19.7 | 0 | 0 | 0 | 111.8 | ||||
| 312 | L | 26.9 | Very low | 34 | Very low | 172 Ų | 172 | 146 Ų | 146 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -84.6 | 159.3 | 152.3 | -85.1 | 146.2 | 0 | 0 | 0 | 109.1 | ||||
| 313 | L | 35.6 | Very low | 34.2 | Very low | 165 Ų | 165 | 150.5 Ų | 150.5 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -60.4 | 168.1 | 173.1 | -59.7 | 161.3 | 0 | 0 | 0 | 111.3 | ||||
| 314 | P | 37.4 | Very low | 34.3 | Very low | 117 Ų | 117 | 146 Ų | 146 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | cis | -140.9 | -136.9 | 19.5 | 44.3 | -21.8 | 0 | 0 | 0 | 111.1 | ||||
| 315 | P | 42.2 | Very low | 34.1 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | cis | -127.5 | -174.3 | -27.9 | 38.5 | -20.7 | 0 | 0 | 0 | 114.9 | ||||
| 316 | M | 33.6 | Very low | 34 | Very low | 176 Ų | 176 | 150.5 Ų | 150.5 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -53.5 | 150.8 | -178.1 | -45.2 | -169.1 | 74.6 | 0 | 0 | 118.1 | ||||
| 317 | Q | 30.8 | Very low | 33.6 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | -156.9 | 135.7 | 119.3 | -118.1 | 176.4 | 3.2 | 0 | 0 | 116.6 | |||||
| 318 | N | 30.2 | Very low | 33.6 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 63% | 0.631 | 81% | 0.812 | S | S | * | * | trans | -40.9 | 139 | 172.3 | 166 | 75.7 | 0 | 0 | 0 | 118.4 | ||||
| 319 | N | 27.1 | Very low | 33.3 | Very low | 148 Ų | 148 | 153 Ų | 153 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | -158.1 | 159.1 | 116.9 | -124.4 | -14.6 | 0 | 0 | 0 | 116 | |||||
| 320 | Q | 36.1 | Very low | 33.5 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -91.9 | 146.7 | -174.6 | -58.8 | 167.1 | -22 | 0 | 0 | 112.5 | ||||
| 321 | I | 31.5 | Very low | 34.4 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -134.2 | 119.8 | 153.5 | -63 | -177 | 0 | 0 | 0 | 108.6 | ||||
| 322 | Q | 32.4 | Very low | 35 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | -71.2 | 146.1 | 172.2 | -65.9 | 172.4 | -26.1 | 0 | 0 | 110.7 | ||||
| 323 | R | 31.2 | Very low | 35.7 | Very low | 230 Ų | 230 | 144.3 Ų | 144.3 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -122.9 | 91 | 151.6 | -70.2 | -166.2 | -171.7 | -172.5 | 5 | 108.9 | ||||
| 324 | S | 32.2 | Very low | 36.1 | Very low | 89 Ų | 89 | 143 Ų | 143 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | trans | -70.4 | 135.3 | 165 | 38.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 325 | F | 31.5 | Very low | 36.5 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | trans | -128.5 | 108.2 | 157.8 | -89.3 | -78.7 | 0 | 0 | 0 | 107.6 | ||||
| 326 | N | 29.9 | Very low | 36.5 | Very low | 161 Ų | 161 | 139 Ų | 139 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -78.1 | 133.2 | 174 | -70.8 | 8 | 0 | 0 | 0 | 108.9 | ||||
| 327 | G | 32.7 | Very low | 36.9 | Very low | 71 Ų | 71 | 136.6 Ų | 136.6 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | trans | 156.8 | 71.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 328 | L | 37.2 | Very low | 37.5 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 92% | 0.916 | 73% | 0.726 | S | S | * | * | trans | 171.9 | 121.5 | 130.2 | -92.6 | 170.2 | 0 | 0 | 0 | 109.4 | G330 | L328-G330 PolarHBondContact O-N 3.43Š| ||
| 329 | N | 40.3 | Very low | 38.1 | Very low | 178 Ų | 178 | 132.7 Ų | 132.7 | 95% | 0.952 | 73% | 0.73 | S | S | * | * | trans | -83.1 | 109.8 | 179 | -71.2 | -9.4 | 0 | 0 | 0 | 110.3 | ||||
| 330 | G | 36.3 | Very low | 39 | Very low | 55 Ų | 55 | 135.4 Ų | 135.4 | 57% | 0.567 | 73% | 0.73 | S | S | * | * | trans | -150.2 | 120.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L328 D332 | L328-G330 PolarHBondContact O-N 3.43Å; G330-D332 PolarHBondContact O-N 2.82Å | ||
| 331 | T | 52.8 | Low | 39.2 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 92% | 0.92 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 22.5 | -164.8 | 52 | 0 | 0 | 0 | 0 | 115.5 | ||
| 332 | D | 46.5 | Very low | 39.9 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -20.5 | -175.1 | -151.8 | 29.1 | 0 | 0 | 0 | 113.1 | G330 H334 V335 | G330-D332 PolarHBondContact O-N 2.82Å; D332-H334 PolarHBondContact O-N 3.16Å; D332-V335 PolarHBondContact O-N 2.8Å |
| 333 | A | 43.3 | Very low | 40.7 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 59% | 0.587 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -60.8 | -39.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V335 A336 E337 | A333-V335 VanDerWaalsContact C-N 3.31Å; A333-V335 PolarHBondContact O-N 3.14Å; A333-A336 PolarHBondContact O-N 2.83Å; A333-E337 PolarHBondContact O-N 3.19Å |
| 334 | H | 43.8 | Very low | 41.5 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 63% | 0.63 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -71.6 | -19.1 | -175.6 | -75 | -50.7 | 0 | 0 | 0 | 114.8 | D332 E337 S338 | D332-H334 PolarHBondContact O-N 3.16Å; H334-E337 IonicContact ND1-OE2 2.97Å; H334-S338 WeakPolarHBondContact O-CB 3.37Å; H334-S338 PolarHBondContact O-N 3.28Å; H334-S338 VanDerWaalsContact O-N 3.16Å; H334-S338 PolarHBondContact O-OG 2.88Å |
| 335 | V | 44.7 | Very low | 42.2 | Very low | 82 Ų | 82 | 132 Ų | 132 | 50% | 0.497 | 73% | 0.725 | S | S | . | * | H | α-helix | trans | -73.1 | -42.5 | 175.7 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | D332 A333 M339 | D332-V335 PolarHBondContact O-N 2.8Å; A333-V335 VanDerWaalsContact C-N 3.31Å; A333-V335 PolarHBondContact O-N 3.14Å; V335-M339 HydrophobicContact CG1-CE 4.13Å |
| 336 | A | 43 | Very low | 43.1 | Very low | 70 Ų | 70 | 126.1 Ų | 126.1 | 58% | 0.579 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -66.2 | -36.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A333 | A333-A336 PolarHBondContact O-N 2.83Å |
| 337 | E | 42.6 | Very low | 44.1 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 58% | 0.584 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -72 | -43.3 | 179.5 | -168.1 | 166.7 | -140.8 | 0 | 0 | 112.1 | A333 H334 M339 R340 | A333-E337 PolarHBondContact O-N 3.19Å; H334-E337 IonicContact ND1-OE2 2.97Å; E337-M339 PolarHBondContact O-N 3.44Å; E337-M339 VanDerWaalsContact O-N 3.14Å; E337-R340 PolarHBondContact O-N 3.11Å |
| 338 | S | 42.9 | Very low | 45.1 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 60% | 0.601 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -61.3 | -24.6 | 178.8 | -62.6 | 0 | 0 | 0 | 0 | 113.6 | H334 | H334-S338 WeakPolarHBondContact O-CB 3.37Å; H334-S338 PolarHBondContact O-N 3.28Å; H334-S338 VanDerWaalsContact O-N 3.16Å; H334-S338 PolarHBondContact O-OG 2.88Å |
| 339 | M | 42 | Very low | 45.9 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 73% | 0.729 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -7.4 | 176.8 | -65 | -164.2 | -169.3 | 0 | 0 | 114.5 | V335 E337 | V335-M339 HydrophobicContact CG1-CE 4.13Å; E337-M339 PolarHBondContact O-N 3.44Å; E337-M339 VanDerWaalsContact O-N 3.14Å |
| 340 | R | 46.2 | Very low | 46.5 | Very low | 205 Ų | 205 | 115.4 Ų | 115.4 | 77% | 0.774 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -14.1 | 177 | -79.9 | -171 | 169.4 | -115.2 | 0.5 | 114.6 | E337 H342 | E337-R340 PolarHBondContact O-N 3.11Å; R340-H342 PolarHBondContact O-N 2.89Å |
| 341 | C | 41.1 | Very low | 47 | Very low | 88 Ų | 88 | 119.6 Ų | 119.6 | 60% | 0.595 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 8.3 | -168.9 | -63.2 | 0 | 0 | 0 | 0 | 116.1 | ||
| 342 | H | 45.6 | Very low | 47 | Very low | 168 Ų | 168 | 114.3 Ų | 114.3 | 78% | 0.778 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 2.4 | -175.5 | -77.4 | -46.4 | 0 | 0 | 0 | 116.3 | R340 | R340-H342 PolarHBondContact O-N 2.89Š|
| 343 | L | 48.5 | Very low | 47.4 | Very low | 152 Ų | 152 | 111 Ų | 111 | 80% | 0.796 | 62% | 0.62 | S | S | * | * | trans | -133.4 | 85.3 | 168.5 | -70 | 175.5 | 0 | 0 | 0 | 109.8 | F345 | L343-F345 VanDerWaalsContact C-N 3.29Å; L343-F345 PolarHBondContact O-N 3.15Å | ||
| 344 | N | 48 | Very low | 47.8 | Very low | 160 Ų | 160 | 109 Ų | 109 | 86% | 0.856 | 61% | 0.606 | S | S | * | * | trans | -67.8 | 86 | 172.8 | -75.2 | -25.7 | 0 | 0 | 0 | 110.1 | ||||
| 345 | F | 47.2 | Very low | 48.4 | Very low | 168 Ų | 168 | 112.4 Ų | 112.4 | 74% | 0.737 | 61% | 0.613 | S | S | * | * | trans | -107.4 | 107.1 | 173.2 | -128 | -84.5 | 0 | 0 | 0 | 109.2 | L343 P347 | L343-F345 VanDerWaalsContact C-N 3.29Å; L343-F345 PolarHBondContact O-N 3.15Å; F345-P347 WeakPolarHBondContact O-CD 3.38Å | ||
| 346 | D | 51.5 | Low | 48.9 | Very low | 69 Ų | 69 | 113.1 Ų | 113.1 | 37% | 0.369 | 62% | 0.618 | S | S | . | * | trans | -76 | 118.7 | 171.7 | 164.9 | 41.1 | 0 | 0 | 0 | 109.6 | N348 T349 | D346-N348 PolarHBondContact O-N 3.45Å; D346-N348 WeakPolarHBondContact OD1-CB 3.42Å; D346-N348 PolarHBondContact OD1-N 3.14Å; D346-N348 PolarHBondContact OD1-ND2 3.25Å; D346-T349 PolarHBondContact O-N 3.04Å; D346-T349 WeakPolarHBondContact OD2-CB 3.46Å; D346-T349 PolarHBondContact OD2-N 3.36Å; D346-T349 VanDerWaalsContact OD2-N 3.08Å; D346-T349 PolarHBondContact OD2-OG1 3.26Å | ||
| 347 | P | 50 | Low | 49.5 | Very low | 79 Ų | 79 | 116.5 Ų | 116.5 | 51% | 0.513 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.9 | -16.7 | -179.9 | 27.6 | -35.2 | 0 | 0 | 0 | 113.5 | F345 | F345-P347 WeakPolarHBondContact O-CD 3.38Š|
| 348 | N | 54.3 | Low | 50 | Low | 140 Ų | 140 | 115.3 Ų | 115.3 | 75% | 0.749 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -18.5 | 179 | -53.4 | -80.1 | 0 | 0 | 0 | 113.2 | D346 A350 | D346-N348 PolarHBondContact O-N 3.45Å; D346-N348 WeakPolarHBondContact OD1-CB 3.42Å; D346-N348 PolarHBondContact OD1-N 3.14Å; D346-N348 PolarHBondContact OD1-ND2 3.25Å; N348-A350 VanDerWaalsContact C-N 3.32Å; N348-A350 PolarHBondContact O-N 2.87Å |
| 349 | T | 54.1 | Low | 50.6 | Low | 110 Ų | 110 | 114.8 Ų | 114.8 | 68% | 0.675 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -76.2 | -11.9 | -173.2 | -74.5 | 0 | 0 | 0 | 0 | 114.1 | D346 | D346-T349 PolarHBondContact O-N 3.04Å; D346-T349 WeakPolarHBondContact OD2-CB 3.46Å; D346-T349 PolarHBondContact OD2-N 3.36Å; D346-T349 VanDerWaalsContact OD2-N 3.08Å; D346-T349 PolarHBondContact OD2-OG1 3.26Å |
| 350 | A | 52.1 | Low | 51.1 | Low | 32 Ų | 32 | 112.4 Ų | 112.4 | 26% | 0.264 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -129.2 | 103.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N348 G352 V353 | N348-A350 VanDerWaalsContact C-N 3.32Å; N348-A350 PolarHBondContact O-N 2.87Å; A350-G352 PolarHBondContact O-N 3.34Å; A350-G352 VanDerWaalsContact O-N 3.08Å; A350-V353 HydrophobicContact CB-CB 4.1Å; A350-V353 HydrophobicContact CB-CG2 3.5Å; A350-V353 VanDerWaalsContact CB-CG2 3.5Å; A350-V353 PolarHBondContact O-N 3.11Å; A350-V353 VanDerWaalsContact O-N 3.11Å |
| 351 | P | 47 | Very low | 51.3 | Low | 142 Ų | 142 | 108.7 Ų | 108.7 | 92% | 0.922 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 112.8 | -179.3 | 26.4 | -33.7 | 0 | 0 | 0 | 111.2 | ||
| 352 | G | 53.4 | Low | 51.7 | Low | 40 Ų | 40 | 109.1 Ų | 109.1 | 41% | 0.412 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 120.5 | -28.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A350 G354 R355 | A350-G352 PolarHBondContact O-N 3.34Å; A350-G352 VanDerWaalsContact O-N 3.08Å; G352-G354 VanDerWaalsContact C-N 3.34Å; G352-G354 PolarHBondContact O-N 3.16Å; G352-R355 PolarHBondContact O-N 3.42Å |
| 353 | V | 53.6 | Low | 52 | Low | 61 Ų | 61 | 103.6 Ų | 103.6 | 37% | 0.37 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65 | -38.8 | 178.9 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | A350 R355 V356 Y357 | A350-V353 HydrophobicContact CB-CB 4.1Å; A350-V353 HydrophobicContact CB-CG2 3.5Å; A350-V353 VanDerWaalsContact CB-CG2 3.5Å; A350-V353 PolarHBondContact O-N 3.11Å; A350-V353 VanDerWaalsContact O-N 3.11Å; V353-R355 VanDerWaalsContact C-N 3.3Å; V353-R355 PolarHBondContact O-N 3.44Å; V353-V356 WeakPolarHBondContact O-CB 3.15Å; V353-V356 PolarHBondContact O-N 3.41Å; V353-Y357 PolarHBondContact O-N 2.84Å |
| 354 | G | 52.7 | Low | 52 | Low | 29 Ų | 29 | 98.6 Ų | 98.6 | 30% | 0.299 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -50.4 | -46.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G352 V356 Y357 D358 | G352-G354 VanDerWaalsContact C-N 3.34Å; G352-G354 PolarHBondContact O-N 3.16Å; G354-V356 VanDerWaalsContact C-N 3.29Å; G354-V356 PolarHBondContact O-N 2.74Å; G354-Y357 CarbonylContact O-C 3.51Å; G354-Y357 PolarHBondContact O-N 2.73Å; G354-D358 WeakPolarHBondContact O-CB 3.48Å; G354-D358 PolarHBondContact O-N 3.37Å |
| 355 | R | 56.8 | Low | 51.8 | Low | 207 Ų | 207 | 96.9 Ų | 96.9 | 78% | 0.781 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.6 | -33.2 | 179.1 | -60.2 | -172.6 | -171.2 | -131.8 | 3.9 | 113.4 | G352 V353 S359 | G352-R355 PolarHBondContact O-N 3.42Å; V353-R355 VanDerWaalsContact C-N 3.3Å; V353-R355 PolarHBondContact O-N 3.44Å; R355-S359 WeakPolarHBondContact O-CB 3.47Å; R355-S359 PolarHBondContact O-N 2.86Å |
| 356 | V | 55.3 | Low | 51.9 | Low | 97 Ų | 97 | 94 Ų | 94 | 59% | 0.588 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.6 | -41.1 | 175 | -177.8 | 0 | 0 | 0 | 0 | 110 | V353 G354 S359 V360 | V353-V356 WeakPolarHBondContact O-CB 3.15Å; V353-V356 PolarHBondContact O-N 3.41Å; G354-V356 VanDerWaalsContact C-N 3.29Å; G354-V356 PolarHBondContact O-N 2.74Å; V356-S359 PolarHBondContact O-N 3.43Å; V356-V360 VanDerWaalsContact O-CG2 3.3Å; V356-V360 WeakPolarHBondContact O-CG2 3.4Å; V356-V360 PolarHBondContact O-N 2.86Å; V356-V360 VanDerWaalsContact O-N 3.07Å |
| 357 | Y | 54.9 | Low | 51.8 | Low | 140 Ų | 140 | 95.8 Ų | 95.8 | 55% | 0.549 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.6 | -35.8 | 179.9 | -145.1 | -99.2 | 0 | 0 | 0 | 112.7 | V353 G354 Q361 | V353-Y357 PolarHBondContact O-N 2.84Å; G354-Y357 CarbonylContact O-C 3.51Å; G354-Y357 PolarHBondContact O-N 2.73Å; Y357-Q361 VanDerWaalsContact CD1-NE2 3.34Å; Y357-Q361 WeakPolarHBondContact O-CG 2.9Å; Y357-Q361 PolarHBondContact O-N 3.46Å; Y357-Q361 PolarHBondContact O-NE2 3.47Å |
| 358 | D | 53.6 | Low | 51.9 | Low | 100 Ų | 100 | 97.4 Ų | 97.4 | 54% | 0.535 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.1 | -45.3 | 170.9 | -64.8 | -31.6 | 0 | 0 | 0 | 110.4 | G354 V360 Q361 S362 | G354-D358 WeakPolarHBondContact O-CB 3.48Å; G354-D358 PolarHBondContact O-N 3.37Å; D358-V360 PolarHBondContact O-N 3.2Å; D358-Q361 CarbonylContact O-C 3.57Å; D358-Q361 PolarHBondContact O-N 3.21Å; D358-S362 WeakPolarHBondContact O-CB 3.43Å; D358-S362 PolarHBondContact O-N 3.13Å; D358-S362 PolarHBondContact O-OG 3.21Å |
| 359 | S | 54.6 | Low | 52.2 | Low | 75 Ų | 75 | 93.1 Ų | 93.1 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.7 | -27.2 | 178.9 | -172.4 | 0 | 0 | 0 | 0 | 113.7 | R355 V356 S362 S363 | R355-S359 WeakPolarHBondContact O-CB 3.47Å; R355-S359 PolarHBondContact O-N 2.86Å; V356-S359 PolarHBondContact O-N 3.43Å; S359-S362 WeakPolarHBondContact CA-OG 3.36Å; S359-S362 PolarHBondContact O-OG 2.83Å; S359-S363 PolarHBondContact O-N 3.37Å; S359-S363 PolarHBondContact O-OG 2.9Å |
| 360 | V | 53.5 | Low | 53.2 | Low | 99 Ų | 99 | 90.9 Ų | 90.9 | 60% | 0.6 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -84.8 | -16.3 | 175.6 | 171 | 0 | 0 | 0 | 0 | 112.2 | V356 D358 S363 | V356-V360 VanDerWaalsContact O-CG2 3.3Å; V356-V360 WeakPolarHBondContact O-CG2 3.4Å; V356-V360 PolarHBondContact O-N 2.86Å; V356-V360 VanDerWaalsContact O-N 3.07Å; D358-V360 PolarHBondContact O-N 3.2Å; V360-S363 VanDerWaalsContact C-OG 3.26Å; V360-S363 WeakPolarHBondContact CA-OG 3.19Å; V360-S363 PolarHBondContact O-OG 3.49Å |
| 361 | Q | 49.9 | Very low | 54.6 | Low | 126 Ų | 126 | 92 Ų | 92 | 59% | 0.589 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -96.2 | -26.5 | 171.1 | -74.3 | 177.2 | 96.4 | 0 | 0 | 113.1 | Y357 D358 S363 | Y357-Q361 VanDerWaalsContact CD1-NE2 3.34Å; Y357-Q361 WeakPolarHBondContact O-CG 2.9Å; Y357-Q361 PolarHBondContact O-N 3.46Å; Y357-Q361 PolarHBondContact O-NE2 3.47Å; D358-Q361 CarbonylContact O-C 3.57Å; D358-Q361 PolarHBondContact O-N 3.21Å; Q361-S363 VanDerWaalsContact C-N 3.34Å; Q361-S363 CarbonylContact O-C 3.54Å |
| 362 | S | 48.6 | Very low | 56.3 | Low | 98 Ų | 98 | 89 Ų | 89 | 69% | 0.685 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73.8 | -27.2 | 173.2 | 67.1 | 0 | 0 | 0 | 0 | 112 | D358 S359 G364 | D358-S362 WeakPolarHBondContact O-CB 3.43Å; D358-S362 PolarHBondContact O-N 3.13Å; D358-S362 PolarHBondContact O-OG 3.21Å; S359-S362 WeakPolarHBondContact CA-OG 3.36Å; S359-S362 PolarHBondContact O-OG 2.83Å; S362-G364 PolarHBondContact O-N 3Å |
| 363 | S | 52.2 | Low | 57.7 | Low | 52 Ų | 52 | 91 Ų | 91 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -65.2 | 93.3 | 150.4 | 53.8 | 0 | 0 | 0 | 0 | 107.9 | S359 V360 Q361 | S359-S363 PolarHBondContact O-N 3.37Å; S359-S363 PolarHBondContact O-OG 2.9Å; V360-S363 VanDerWaalsContact C-OG 3.26Å; V360-S363 WeakPolarHBondContact CA-OG 3.19Å; V360-S363 PolarHBondContact O-OG 3.49Å; Q361-S363 VanDerWaalsContact C-N 3.34Å; Q361-S363 CarbonylContact O-C 3.54Å |
| 364 | G | 48.4 | Very low | 59.3 | Low | 47 Ų | 47 | 88.2 Ų | 88.2 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | trans | -51.4 | 158.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S362 M366 | S362-G364 PolarHBondContact O-N 3Å; G364-M366 PolarHBondContact O-N 3.37Å | ||
| 365 | P | 43.4 | Very low | 60.8 | Low | 123 Ų | 123 | 89.5 Ų | 89.5 | 80% | 0.799 | 50% | 0.503 | S | S | * | . | trans | -47.8 | 107.1 | -160.8 | 19.4 | -33.6 | 0 | 0 | 0 | 111.3 | V367 | P365-V367 PolarHBondContact O-N 3.38Š| ||
| 366 | M | 50.3 | Low | 62.1 | Low | 109 Ų | 109 | 85 Ų | 85 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | trans | -60 | 105.8 | -179.8 | -73.3 | -172.6 | 72.6 | 0 | 0 | 107.6 | G364 V368 N436 | G364-M366 PolarHBondContact O-N 3.37Å; M366-V368 HydrophobicContact CB-CG2 4.49Å; M366-V368 PolarHBondContact O-N 2.98Å; M366-N436 VanDerWaalsContact CE-O 3.3Å; M366-N436 WeakPolarHBondContact CE-O 3.18Å | ||
| 367 | V | 49.9 | Very low | 63.5 | Low | 106 Ų | 106 | 84.8 Ų | 84.8 | 64% | 0.642 | 48% | 0.48 | S | S | * | . | trans | -70.9 | 86.4 | 174 | -172.3 | 0 | 0 | 0 | 0 | 106.2 | P365 T369 | P365-V367 PolarHBondContact O-N 3.38Å; V367-T369 HydrophobicContact CG1-CG2 3.91Å; V367-T369 PolarHBondContact O-N 3.06Å | ||
| 368 | V | 52.3 | Low | 65.1 | Low | 112 Ų | 112 | 78.1 Ų | 78.1 | 68% | 0.679 | 45% | 0.454 | S | S | * | . | trans | -69.7 | 76 | 167.5 | -175.7 | 0 | 0 | 0 | 0 | 106.2 | M366 S370 | M366-V368 HydrophobicContact CB-CG2 4.49Å; M366-V368 PolarHBondContact O-N 2.98Å; V368-S370 PolarHBondContact O-N 2.83Å | ||
| 369 | T | 59.5 | Low | 66.4 | Low | 51 Ų | 51 | 75.3 Ų | 75.3 | 31% | 0.313 | 45% | 0.445 | S | S | . | . | trans | -55.5 | 125.4 | 157.8 | 53.7 | 0 | 0 | 0 | 0 | 105.5 | V367 L371 E374 | V367-T369 HydrophobicContact CG1-CG2 3.91Å; V367-T369 PolarHBondContact O-N 3.06Å; T369-L371 PolarHBondContact O-N 3.13Å; T369-E374 WeakPolarHBondContact CB-OE1 3.38Å; T369-E374 PolarHBondContact OG1-OE1 2.82Å | ||
| 370 | S | 75.7 | Confident | 67.9 | Low | 62 Ų | 62 | 80.1 Ų | 80.1 | 43% | 0.434 | 46% | 0.457 | S | S | . | . | trans | -56.1 | 133.5 | 179.4 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | V368 T372 E373 E374 | V368-S370 PolarHBondContact O-N 2.83Å; S370-T372 PolarHBondContact O-N 3.36Å; S370-E373 WeakPolarHBondContact O-CA 3.49Å; S370-E373 WeakPolarHBondContact O-CB 3.3Å; S370-E373 PolarHBondContact O-N 3.43Å; S370-E374 PolarHBondContact O-N 2.94Å | ||
| 371 | L | 82.1 | Confident | 69.6 | Low | 55 Ų | 55 | 77.9 Ų | 77.9 | 29% | 0.288 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -47.4 | -34.7 | 177.2 | 172.1 | 64 | 0 | 0 | 0 | 111.6 | T369 E373 E374 L375 L416 F439 | T369-L371 PolarHBondContact O-N 3.13Å; L371-E373 PolarHBondContact O-N 3.19Å; L371-E374 PolarHBondContact O-N 3.23Å; L371-L375 HydrophobicContact CD1-CD1 4.34Å; L371-L375 HydrophobicContact CD1-CG 4.31Å; L371-L375 HydrophobicContact CG-CD1 4.12Å; L371-L375 VanDerWaalsContact O-CG 3.29Å; L371-L375 WeakPolarHBondContact O-CG 3.48Å; L371-L375 PolarHBondContact O-N 2.86Å; L371-L416 HydrophobicContact CD1-CD1 3.9Å; L371-L416 HydrophobicContact CD2-CD1 3.68Å; L371-L416 HydrophobicContact CG-CD1 4.28Å; L371-F439 HydrophobicContact CD1-CE1 4.05Å; L371-F439 HydrophobicContact CD1-CZ 3.76Å |
| 372 | T | 81.6 | Confident | 71.5 | Confident | 80 Ų | 80 | 72.7 Ų | 72.7 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.2 | -38.9 | 173.1 | -50.2 | 0 | 0 | 0 | 0 | 113.7 | S370 K376 | S370-T372 PolarHBondContact O-N 3.36Å; T372-K376 VanDerWaalsContact O-CG 3.29Å; T372-K376 WeakPolarHBondContact O-CG 3.44Å; T372-K376 PolarHBondContact O-N 3.15Å |
| 373 | E | 83.5 | Confident | 73.6 | Confident | 81 Ų | 81 | 69.1 Ų | 69.1 | 38% | 0.379 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -74.2 | -36.2 | 176.4 | -57.7 | -44.9 | 122.2 | 0 | 0 | 112.2 | S370 L371 K376 K377 | S370-E373 WeakPolarHBondContact O-CA 3.49Å; S370-E373 WeakPolarHBondContact O-CB 3.3Å; S370-E373 PolarHBondContact O-N 3.43Å; L371-E373 PolarHBondContact O-N 3.19Å; E373-K376 WeakPolarHBondContact O-CB 3.46Å; E373-K376 PolarHBondContact O-N 2.92Å; E373-K376 IonicContact OE1-NZ 3.77Å; E373-K376 PolarHBondContact OE1-NZ 3.09Å; E373-K376 WeakPolarHBondContact OE2-CD 3.22Å; E373-K376 IonicContact OE2-NZ 2.98Å; E373-K376 PolarHBondContact OE2-NZ 3.45Å; E373-K377 WeakPolarHBondContact O-CG 3.25Å; E373-K377 PolarHBondContact O-N 3.3Å |
| 374 | E | 86.2 | Confident | 75.6 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.019 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 171.4 | -61.8 | -51.7 | 133 | 0 | 0 | 111.4 | T369 S370 L371 K376 K377 L378 F439 S452 | T369-E374 WeakPolarHBondContact CB-OE1 3.38Å; T369-E374 PolarHBondContact OG1-OE1 2.82Å; S370-E374 PolarHBondContact O-N 2.94Å; L371-E374 PolarHBondContact O-N 3.23Å; E374-K376 VanDerWaalsContact C-N 3.32Å; E374-K376 PolarHBondContact O-N 3.21Å; E374-K377 WeakPolarHBondContact O-CB 3.41Å; E374-K377 PolarHBondContact O-N 3.39Å; E374-K377 VanDerWaalsContact O-N 3.1Å; E374-K377 IonicContact OE1-NZ 3.35Å; E374-K377 PolarHBondContact OE1-NZ 2.83Å; E374-K377 WeakPolarHBondContact OE2-CD 3.36Å; E374-K377 IonicContact OE2-NZ 3.75Å; E374-K377 PolarHBondContact OE2-NZ 3.17Å; E374-L378 PolarHBondContact O-N 2.66Å; E374-F439 HydrophobicContact CB-CZ 4.49Å; E374-F439 HydrophobicContact CG-CE2 4.35Å; E374-S452 VanDerWaalsContact OE2-CB 3.22Å; E374-S452 WeakPolarHBondContact OE2-CB 3.39Å; E374-S452 PolarHBondContact OE2-OG 3.36Å |
| 375 | L | 84.5 | Confident | 77.6 | Confident | 56 Ų | 56 | 66.9 Ų | 66.9 | 29% | 0.293 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.2 | -33.7 | 174.6 | -66.1 | 173.7 | 0 | 0 | 0 | 112.4 | L371 L378 A379 L417 | L371-L375 HydrophobicContact CD1-CD1 4.34Å; L371-L375 HydrophobicContact CD1-CG 4.31Å; L371-L375 HydrophobicContact CG-CD1 4.12Å; L371-L375 VanDerWaalsContact O-CG 3.29Å; L371-L375 WeakPolarHBondContact O-CG 3.48Å; L371-L375 PolarHBondContact O-N 2.86Å; L375-L378 HydrophobicContact CD2-CD1 3.82Å; L375-L378 WeakPolarHBondContact O-CB 3.42Å; L375-L378 PolarHBondContact O-N 2.97Å; L375-A379 PolarHBondContact O-N 3.19Å; L375-L417 HydrophobicContact CD2-CD1 4.27Å |
| 376 | K | 83.7 | Confident | 79.9 | Confident | 113 Ų | 113 | 61.3 Ų | 61.3 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 169.6 | -77.3 | 162.2 | 167.7 | 179.2 | 0 | 112.6 | T372 E373 E374 A379 | T372-K376 VanDerWaalsContact O-CG 3.29Å; T372-K376 WeakPolarHBondContact O-CG 3.44Å; T372-K376 PolarHBondContact O-N 3.15Å; E373-K376 WeakPolarHBondContact O-CB 3.46Å; E373-K376 PolarHBondContact O-N 2.92Å; E373-K376 IonicContact OE1-NZ 3.77Å; E373-K376 PolarHBondContact OE1-NZ 3.09Å; E373-K376 WeakPolarHBondContact OE2-CD 3.22Å; E373-K376 IonicContact OE2-NZ 2.98Å; E373-K376 PolarHBondContact OE2-NZ 3.45Å; E374-K376 VanDerWaalsContact C-N 3.32Å; E374-K376 PolarHBondContact O-N 3.21Å; K376-A379 WeakPolarHBondContact O-CB 3.32Å; K376-A379 PolarHBondContact O-N 3.19Å |
| 377 | K | 85.8 | Confident | 81.7 | Confident | 91 Ų | 91 | 58.6 Ų | 58.6 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.3 | -70.6 | 169.4 | -174.2 | 174.9 | 0 | 111 | E373 E374 A379 K380 | E373-K377 WeakPolarHBondContact O-CG 3.25Å; E373-K377 PolarHBondContact O-N 3.3Å; E374-K377 WeakPolarHBondContact O-CB 3.41Å; E374-K377 PolarHBondContact O-N 3.39Å; E374-K377 VanDerWaalsContact O-N 3.1Å; E374-K377 IonicContact OE1-NZ 3.35Å; E374-K377 PolarHBondContact OE1-NZ 2.83Å; E374-K377 WeakPolarHBondContact OE2-CD 3.36Å; E374-K377 IonicContact OE2-NZ 3.75Å; E374-K377 PolarHBondContact OE2-NZ 3.17Å; K377-A379 PolarHBondContact O-N 3.05Å; K377-K380 WeakPolarHBondContact O-CB 3.25Å; K377-K380 PolarHBondContact O-N 3.07Å |
| 378 | L | 87.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.4 | -38.5 | 174.1 | -64.7 | -177 | 0 | 0 | 0 | 112.7 | E374 L375 K380 Q381 W383 Y384 L417 I453 | E374-L378 PolarHBondContact O-N 2.66Å; L375-L378 HydrophobicContact CD2-CD1 3.82Å; L375-L378 WeakPolarHBondContact O-CB 3.42Å; L375-L378 PolarHBondContact O-N 2.97Å; L378-K380 PolarHBondContact O-N 3.17Å; L378-Q381 WeakPolarHBondContact O-CB 3.49Å; L378-Q381 PolarHBondContact O-N 3Å; L378-W383 HydrophobicContact CD2-CH2 3.75Å; L378-W383 HydrophobicContact CD2-CZ3 3.97Å; L378-Y384 HydrophobicContact CB-CD1 3.76Å; L378-Y384 HydrophobicContact CB-CD2 4.16Å; L378-Y384 HydrophobicContact CB-CE1 3.88Å; L378-Y384 HydrophobicContact CB-CE2 4.27Å; L378-Y384 HydrophobicContact CB-CG 3.87Å; L378-Y384 HydrophobicContact CD1-CD2 4.08Å; L378-Y384 HydrophobicContact CD1-CE2 3.76Å; L378-Y384 WeakPolarHBondContact O-CB 3.41Å; L378-Y384 WeakPolarHBondContact O-CD1 3.39Å; L378-L417 HydrophobicContact CD1-CD1 3.63Å; L378-L417 HydrophobicContact CD1-CD2 4Å; L378-L417 HydrophobicContact CD1-CG 4.48Å; L378-I453 HydrophobicContact CD1-CD1 4.01Å; L378-I453 HydrophobicContact CD2-CB 4.04Å; L378-I453 HydrophobicContact CD2-CD1 4.32Å; L378-I453 HydrophobicContact CD2-CG2 3.88Å; L378-I453 HydrophobicContact CG-CD1 4.34Å |
| 379 | A | 82.2 | Confident | 85.6 | Confident | 42 Ų | 42 | 52 Ų | 52 | 35% | 0.347 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -19.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L375 K376 K377 R492 | L375-A379 PolarHBondContact O-N 3.19Å; K376-A379 WeakPolarHBondContact O-CB 3.32Å; K376-A379 PolarHBondContact O-N 3.19Å; K377-A379 PolarHBondContact O-N 3.05Å; A379-R492 VanDerWaalsContact O-CZ 3.29Å; A379-R492 PolarHBondContact O-NH1 2.67Å; A379-R492 PolarHBondContact O-NH2 2.67Å |
| 380 | K | 84.6 | Confident | 87.2 | Confident | 175 Ų | 175 | 54.8 Ų | 54.8 | 76% | 0.761 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -23.3 | 172.2 | -57.1 | -175.2 | 178 | -175.5 | 0 | 113.5 | K377 L378 | K377-K380 WeakPolarHBondContact O-CB 3.25Å; K377-K380 PolarHBondContact O-N 3.07Å; L378-K380 PolarHBondContact O-N 3.17Å |
| 381 | Q | 90.1 | Very high | 88.1 | Confident | 52 Ų | 52 | 60 Ų | 60 | 24% | 0.243 | 29% | 0.291 | C | S | . | . | trans | -74 | 134.6 | -172.9 | -63.7 | -64.4 | -8.8 | 0 | 0 | 112.6 | L378 W383 Y384 V454 R492 | L378-Q381 WeakPolarHBondContact O-CB 3.49Å; L378-Q381 PolarHBondContact O-N 3Å; Q381-W383 HydrophobicContact CB-CD2 4.05Å; Q381-W383 HydrophobicContact CB-CE3 4.4Å; Q381-W383 HydrophobicContact CB-CH2 4.29Å; Q381-W383 HydrophobicContact CB-CZ2 3.93Å; Q381-W383 HydrophobicContact CG-CH2 4.1Å; Q381-W383 HydrophobicContact CG-CZ2 3.66Å; Q381-Y384 PolarHBondContact O-N 2.81Å; Q381-V454 HydrophobicContact CG-CG2 4.28Å; Q381-R492 PolarHBondContact O-NH1 3.09Å | ||
| 382 | G | 89.4 | Confident | 88.6 | Confident | 17 Ų | 17 | 62 Ų | 62 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -39.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y384 S491 R492 | G382-Y384 PolarHBondContact O-N 3.37Å; G382-S491 CarbonylContact O-C 3.53Å; G382-S491 WeakPolarHBondContact O-CA 3.43Å; G382-R492 WeakPolarHBondContact O-CB 3.27Å; G382-R492 WeakPolarHBondContact O-CG 3.44Å; G382-R492 PolarHBondContact O-N 2.79Å |
| 383 | W | 92.9 | Very high | 89.2 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -3.8 | 179.2 | 48.2 | -104.7 | 0 | 0 | 0 | 114.5 | L378 Q381 V407 I453 V454 I457 P489 | L378-W383 HydrophobicContact CD2-CH2 3.75Å; L378-W383 HydrophobicContact CD2-CZ3 3.97Å; Q381-W383 HydrophobicContact CB-CD2 4.05Å; Q381-W383 HydrophobicContact CB-CE3 4.4Å; Q381-W383 HydrophobicContact CB-CH2 4.29Å; Q381-W383 HydrophobicContact CB-CZ2 3.93Å; Q381-W383 HydrophobicContact CG-CH2 4.1Å; Q381-W383 HydrophobicContact CG-CZ2 3.66Å; W383-V407 HydrophobicContact CE3-CB 3.73Å; W383-V407 HydrophobicContact CE3-CG2 3.61Å; W383-V407 HydrophobicContact CZ3-CB 3.72Å; W383-V407 HydrophobicContact CZ3-CG1 4.33Å; W383-V407 HydrophobicContact CZ3-CG2 3.57Å; W383-V407 PolarHBondContact O-N 3.25Å; W383-I453 HydrophobicContact CH2-CG2 4.49Å; W383-V454 HydrophobicContact CZ2-CG2 4.34Å; W383-I457 HydrophobicContact CH2-CB 4.42Å; W383-I457 HydrophobicContact CH2-CG1 3.92Å; W383-I457 HydrophobicContact CZ2-CB 4.32Å; W383-I457 HydrophobicContact CZ2-CG1 4.31Å; W383-I457 HydrophobicContact CZ2-CG2 4.33Å; W383-I457 HydrophobicContact CZ3-CG1 4.18Å; W383-P489 HydrophobicContact CB-CB 3.94Å; W383-P489 HydrophobicContact CG-CB 4.37Å |
| 384 | Y | 93.9 | Very high | 89.8 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -94.5 | 107.7 | 177.2 | 178.4 | -114 | 0 | 0 | 0 | 111.3 | L378 Q381 G382 V407 D409 L417 R492 | L378-Y384 HydrophobicContact CB-CD1 3.76Å; L378-Y384 HydrophobicContact CB-CD2 4.16Å; L378-Y384 HydrophobicContact CB-CE1 3.88Å; L378-Y384 HydrophobicContact CB-CE2 4.27Å; L378-Y384 HydrophobicContact CB-CG 3.87Å; L378-Y384 HydrophobicContact CD1-CD2 4.08Å; L378-Y384 HydrophobicContact CD1-CE2 3.76Å; L378-Y384 WeakPolarHBondContact O-CB 3.41Å; L378-Y384 WeakPolarHBondContact O-CD1 3.39Å; Q381-Y384 PolarHBondContact O-N 2.81Å; G382-Y384 PolarHBondContact O-N 3.37Å; Y384-V407 WeakPolarHBondContact CA-O 3.48Å; Y384-V407 HydrophobicContact CD2-CB 4.44Å; Y384-V407 HydrophobicContact CD2-CG1 4.26Å; Y384-D409 PolarHBondContact OH-OD1 3.38Å; Y384-D409 VanDerWaalsContact OH-OD1 3.13Å; Y384-L417 HydrophobicContact CE2-CD2 3.76Å; Y384-R492 WeakPolarHBondContact O-CD 3.5Å; Y384-R492 PolarHBondContact O-NH1 2.98Å |
| 385 | W | 91.9 | Very high | 90.1 | Very high | 23 Ų | 23 | 58.7 Ų | 58.7 | 9% | 0.087 | 29% | 0.291 | C | S | . | . | trans | -87.3 | -8 | -178.1 | -73.6 | 69.3 | 0 | 0 | 0 | 113.8 | I388 K396 L406 V407 V490 S491 R492 | W385-I388 HydrophobicContact CB-CD1 3.63Å; W385-I388 HydrophobicContact CB-CG1 3.92Å; W385-I388 HydrophobicContact CB-CG2 4.3Å; W385-I388 HydrophobicContact CD2-CD1 4.32Å; W385-I388 HydrophobicContact CE3-CD1 4.43Å; W385-I388 HydrophobicContact CG-CD1 4.03Å; W385-K396 HydrophobicContact CE3-CG 4.47Å; W385-K396 HydrophobicContact CH2-CD 3.89Å; W385-K396 HydrophobicContact CH2-CG 4.04Å; W385-K396 HydrophobicContact CZ2-CG 4.37Å; W385-K396 HydrophobicContact CZ3-CD 4.07Å; W385-K396 HydrophobicContact CZ3-CG 4.1Å; W385-L406 HydrophobicContact CG-CD1 4.46Å; W385-L406 HydrophobicContact CG-CD2 4.4Å; W385-V407 PolarHBondContact N-O 3.06Å; W385-V490 HydrophobicContact CZ2-CG1 4.14Å; W385-V490 PolarHBondContact NE1-O 2.94Å; W385-S491 WeakPolarHBondContact CZ2-O 3.14Å; W385-R492 HydrophobicContact CD2-CB 3.95Å; W385-R492 HydrophobicContact CE3-CB 4.29Å; W385-R492 HydrophobicContact CG-CB 4.24Å; W385-R492 VanDerWaalsContact CZ2-CA 3.47Å; W385-R492 HydrophobicContact CZ2-CB 4.37Å | ||
| 386 | G | 90.3 | Very high | 90.5 | Very high | 6 Ų | 6 | 59.2 Ų | 59.2 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | trans | 68 | -149.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I388 R408 D409 | G386-I388 PolarHBondContact O-N 3.4Å; G386-R408 WeakPolarHBondContact O-CA 3.44Å; G386-R408 WeakPolarHBondContact O-CB 3.47Å; G386-D409 WeakPolarHBondContact CA-OD1 3.04Å; G386-D409 PolarHBondContact O-N 3.31Å; G386-D409 VanDerWaalsContact O-N 3.08Å | ||
| 387 | P | 89.6 | Confident | 91 | Very high | 53 Ų | 53 | 53.8 Ų | 53.8 | 34% | 0.344 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -78.4 | 61.7 | -172 | 0.8 | 12.4 | 0 | 0 | 0 | 113.9 | D409 Y534 | P387-D409 HydrophobicContact CB-CB 4.03Å; P387-D409 WeakPolarHBondContact CG-OD2 3.38Å; P387-D409 VanDerWaalsContact N-OD1 3.1Å; P387-Y534 HydrophobicContact CB-CD1 3.57Å; P387-Y534 HydrophobicContact CB-CE1 3.76Å; P387-Y534 HydrophobicContact CB-CG 4.33Å; P387-Y534 HydrophobicContact CG-CD1 3.56Å; P387-Y534 HydrophobicContact CG-CD2 4.35Å; P387-Y534 HydrophobicContact CG-CE1 3.57Å; P387-Y534 HydrophobicContact CG-CE2 4.36Å; P387-Y534 HydrophobicContact CG-CG 3.98Å |
| 388 | I | 90.6 | Very high | 91.3 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.062 | 27% | 0.266 | C | S | . | . | trans | -85.8 | 147.4 | 164.9 | 62.5 | 165.8 | 0 | 0 | 0 | 110.7 | W385 G386 E392 A393 L406 R408 | W385-I388 HydrophobicContact CB-CD1 3.63Å; W385-I388 HydrophobicContact CB-CG1 3.92Å; W385-I388 HydrophobicContact CB-CG2 4.3Å; W385-I388 HydrophobicContact CD2-CD1 4.32Å; W385-I388 HydrophobicContact CE3-CD1 4.43Å; W385-I388 HydrophobicContact CG-CD1 4.03Å; G386-I388 PolarHBondContact O-N 3.4Å; I388-E392 HydrophobicContact CB-CB 4.23Å; I388-A393 HydrophobicContact CD1-CB 3.89Å; I388-L406 HydrophobicContact CD1-CD1 4Å; I388-R408 HydrophobicContact CD1-CB 4.32Å; I388-R408 HydrophobicContact CG1-CB 3.64Å; I388-R408 HydrophobicContact CG1-CG 4.41Å | ||
| 389 | T | 92.1 | Very high | 91.3 | Very high | 66 Ų | 66 | 59 Ų | 59 | 41% | 0.405 | 31% | 0.306 | S | S | . | . | trans | -68.8 | 163.9 | 175.9 | 63.6 | 0 | 0 | 0 | 0 | 112.2 | W391 E392 A393 | T389-W391 VanDerWaalsContact C-N 3.28Å; T389-W391 PolarHBondContact O-N 2.96Å; T389-E392 VanDerWaalsContact CB-OE2 3.3Å; T389-E392 WeakPolarHBondContact CB-OE2 3.44Å; T389-E392 WeakPolarHBondContact CG2-OE2 3.45Å; T389-E392 PolarHBondContact N-OE2 2.74Å; T389-E392 PolarHBondContact O-N 3.08Å; T389-E392 WeakPolarHBondContact OG1-CG 3.41Å; T389-E392 PolarHBondContact OG1-N 3.13Å; T389-E392 PolarHBondContact OG1-OE2 3.05Å; T389-A393 PolarHBondContact O-N 3.46Å; T389-A393 VanDerWaalsContact O-N 3.11Å | ||
| 390 | R | 93.5 | Very high | 91.7 | Very high | 110 Ų | 110 | 58.4 Ų | 58.4 | 42% | 0.415 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -52 | -47.4 | 169.9 | -176.1 | -173.2 | 164.8 | 167.5 | -4 | 111.7 | A393 E394 H429 | R390-A393 WeakPolarHBondContact O-CB 3.35Å; R390-A393 PolarHBondContact O-N 3.11Å; R390-E394 IonicContact CZ-OE1 2.88Å; R390-E394 IonicContact NE-OE1 3.74Å; R390-E394 PolarHBondContact NE-OE1 2.94Å; R390-E394 IonicContact NH2-OE1 2.6Å; R390-E394 PolarHBondContact NH2-OE1 3.11Å; R390-E394 WeakPolarHBondContact O-CG 3.39Å; R390-E394 PolarHBondContact O-N 3.13Å; R390-H429 WeakPolarHBondContact CG-NE2 3.35Å; R390-H429 PolarHBondContact NE-CD2 3.36Å; R390-H429 PolarHBondContact NE-NE2 3.22Å |
| 391 | W | 94 | Very high | 92.1 | Very high | 173 Ų | 173 | 54 Ų | 54 | 66% | 0.655 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -69.4 | -35.4 | -174.5 | -51 | 133.1 | 0 | 0 | 0 | 112.7 | T389 E394 G395 | T389-W391 VanDerWaalsContact C-N 3.28Å; T389-W391 PolarHBondContact O-N 2.96Å; W391-E394 VanDerWaalsContact CE3-OE2 3.31Å; W391-E394 WeakPolarHBondContact CZ3-OE2 3.3Å; W391-E394 PolarHBondContact O-N 2.97Å; W391-G395 PolarHBondContact O-N 2.81Å |
| 392 | E | 92.8 | Very high | 92.1 | Very high | 95 Ų | 95 | 55.1 Ų | 55.1 | 44% | 0.444 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 170.6 | -73.3 | 165.5 | 104.4 | 0 | 0 | 111.7 | I388 T389 G395 K396 | I388-E392 HydrophobicContact CB-CB 4.23Å; T389-E392 VanDerWaalsContact CB-OE2 3.3Å; T389-E392 WeakPolarHBondContact CB-OE2 3.44Å; T389-E392 WeakPolarHBondContact CG2-OE2 3.45Å; T389-E392 PolarHBondContact N-OE2 2.74Å; T389-E392 PolarHBondContact O-N 3.08Å; T389-E392 WeakPolarHBondContact OG1-CG 3.41Å; T389-E392 PolarHBondContact OG1-N 3.13Å; T389-E392 PolarHBondContact OG1-OE2 3.05Å; E392-G395 CarbonylContact O-C 3.56Å; E392-G395 PolarHBondContact O-N 2.83Å; E392-K396 WeakPolarHBondContact O-CG 3.39Å; E392-K396 PolarHBondContact O-N 2.9Å |
| 393 | A | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I388 T389 R390 G395 K396 L397 L406 | I388-A393 HydrophobicContact CD1-CB 3.89Å; T389-A393 PolarHBondContact O-N 3.46Å; T389-A393 VanDerWaalsContact O-N 3.11Å; R390-A393 WeakPolarHBondContact O-CB 3.35Å; R390-A393 PolarHBondContact O-N 3.11Å; A393-G395 VanDerWaalsContact C-N 3.34Å; A393-K396 PolarHBondContact O-N 3.35Å; A393-L397 WeakPolarHBondContact O-CB 3.16Å; A393-L397 WeakPolarHBondContact O-CG 3.48Å; A393-L397 PolarHBondContact O-N 3.36Å; A393-L397 VanDerWaalsContact O-N 3.09Å; A393-L406 HydrophobicContact CB-CD1 4.04Å; A393-L406 HydrophobicContact CB-CD2 4.48Å |
| 394 | E | 95 | Very high | 92.2 | Very high | 47 Ų | 47 | 53.4 Ų | 53.4 | 22% | 0.22 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60 | -44.6 | 171 | -68.3 | -175.4 | -175.5 | 0 | 0 | 111.2 | R390 W391 K396 L397 A398 T427 H429 | R390-E394 IonicContact CZ-OE1 2.88Å; R390-E394 IonicContact NE-OE1 3.74Å; R390-E394 PolarHBondContact NE-OE1 2.94Å; R390-E394 IonicContact NH2-OE1 2.6Å; R390-E394 PolarHBondContact NH2-OE1 3.11Å; R390-E394 WeakPolarHBondContact O-CG 3.39Å; R390-E394 PolarHBondContact O-N 3.13Å; W391-E394 VanDerWaalsContact CE3-OE2 3.31Å; W391-E394 WeakPolarHBondContact CZ3-OE2 3.3Å; W391-E394 PolarHBondContact O-N 2.97Å; E394-K396 PolarHBondContact O-N 3.33Å; E394-L397 PolarHBondContact O-N 2.97Å; E394-A398 WeakPolarHBondContact O-CB 3.29Å; E394-A398 PolarHBondContact O-N 3.15Å; E394-T427 HydrophobicContact CB-CG2 4.44Å; E394-T427 HydrophobicContact CG-CG2 3.83Å; E394-H429 IonicContact OE1-CD2 2.67Å; E394-H429 IonicContact OE1-NE2 2.84Å; E394-H429 PolarHBondContact OE1-NE2 2.67Å; E394-H429 VanDerWaalsContact OE1-NE2 3.11Å |
| 395 | G | 93.6 | Very high | 92.3 | Very high | 50 Ų | 50 | 52 Ų | 52 | 52% | 0.515 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.1 | -30.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | W391 E392 A393 | W391-G395 PolarHBondContact O-N 2.81Å; E392-G395 CarbonylContact O-C 3.56Å; E392-G395 PolarHBondContact O-N 2.83Å; A393-G395 VanDerWaalsContact C-N 3.34Å |
| 396 | K | 92.4 | Very high | 92.5 | Very high | 66 Ų | 66 | 51 Ų | 51 | 29% | 0.287 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.9 | -30.8 | 172.3 | -68.2 | -47.4 | -178.4 | -174 | 0 | 113.2 | W385 E392 A393 E394 V400 L406 | W385-K396 HydrophobicContact CE3-CG 4.47Å; W385-K396 HydrophobicContact CH2-CD 3.89Å; W385-K396 HydrophobicContact CH2-CG 4.04Å; W385-K396 HydrophobicContact CZ2-CG 4.37Å; W385-K396 HydrophobicContact CZ3-CD 4.07Å; W385-K396 HydrophobicContact CZ3-CG 4.1Å; E392-K396 WeakPolarHBondContact O-CG 3.39Å; E392-K396 PolarHBondContact O-N 2.9Å; A393-K396 PolarHBondContact O-N 3.35Å; E394-K396 PolarHBondContact O-N 3.33Å; K396-V400 WeakPolarHBondContact O-CG2 3.3Å; K396-L406 HydrophobicContact CB-CD2 4.02Å |
| 397 | L | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -92.4 | -24.2 | -176.4 | -70.3 | 166.1 | 0 | 0 | 0 | 113.4 | A393 E394 N399 V400 L406 S420 R422 T427 V490 | A393-L397 WeakPolarHBondContact O-CB 3.16Å; A393-L397 WeakPolarHBondContact O-CG 3.48Å; A393-L397 PolarHBondContact O-N 3.36Å; A393-L397 VanDerWaalsContact O-N 3.09Å; E394-L397 PolarHBondContact O-N 2.97Å; L397-N399 PolarHBondContact O-N 2.76Å; L397-V400 PolarHBondContact O-N 2.94Å; L397-L406 HydrophobicContact CD1-CD2 4.29Å; L397-L406 HydrophobicContact CD1-CG 4.33Å; L397-L406 HydrophobicContact CD2-CD2 4.45Å; L397-L406 HydrophobicContact CG-CD2 4.13Å; L397-S420 WeakPolarHBondContact CD1-O 3.46Å; L397-R422 HydrophobicContact CB-CB 4.49Å; L397-R422 WeakPolarHBondContact O-CD 3.14Å; L397-T427 HydrophobicContact CB-CG2 4.28Å; L397-T427 HydrophobicContact CD1-CG2 3.65Å; L397-V490 HydrophobicContact CD2-CG2 3.82Å |
| 398 | A | 92.1 | Very high | 93 | Very high | 43 Ų | 43 | 48.6 Ų | 48.6 | 36% | 0.355 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -35.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E394 R422 | E394-A398 WeakPolarHBondContact O-CB 3.29Å; E394-A398 PolarHBondContact O-N 3.15Å; A398-R422 PolarHBondContact O-NH1 3.15Å; A398-R422 VanDerWaalsContact O-NH1 3.15Å; A398-R422 PolarHBondContact O-NH2 3.43Å |
| 399 | N | 87.6 | Confident | 93.1 | Very high | 157 Ų | 157 | 50.1 Ų | 50.1 | 84% | 0.84 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 11.3 | -175.9 | -63.3 | -12.6 | 0 | 0 | 0 | 113.6 | L397 | L397-N399 PolarHBondContact O-N 2.76Š|
| 400 | V | 91.3 | Very high | 93.1 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -116.1 | 142.1 | -172.8 | -160 | 0 | 0 | 0 | 0 | 108.7 | K396 L397 S404 R422 V490 | K396-V400 WeakPolarHBondContact O-CG2 3.3Å; L397-V400 PolarHBondContact O-N 2.94Å; V400-S404 WeakPolarHBondContact CG1-OG 3.46Å; V400-R422 WeakPolarHBondContact O-CD 3.47Å; V400-R422 PolarHBondContact O-NH1 3.09Å; V400-V490 HydrophobicContact CG1-CG2 4.08Å |
| 401 | P | 92.2 | Very high | 92.9 | Very high | 82 Ų | 82 | 47 Ų | 47 | 53% | 0.532 | 26% | 0.263 | S | S | . | . | trans | -51.7 | 155.1 | -175.5 | 14.8 | -32.1 | 0 | 0 | 0 | 115.3 | S404 | P401-S404 WeakPolarHBondContact O-CB 3.34Å; P401-S404 PolarHBondContact O-N 3.03Å; P401-S404 VanDerWaalsContact O-N 3.13Å; P401-S404 PolarHBondContact O-OG 3.03Å | ||
| 402 | D | 91.6 | Very high | 92.6 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 40% | 0.401 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | 145.9 | 169.7 | -80.7 | -13.9 | 0 | 0 | 0 | 110.9 | S404 R422 H424 G425 | D402-S404 VanDerWaalsContact C-N 3.26Å; D402-R422 WeakPolarHBondContact OD1-CG 3.18Å; D402-H424 PolarHBondContact OD1-N 2.84Å; D402-H424 WeakPolarHBondContact OD2-CA 3.09Å; D402-H424 PolarHBondContact OD2-N 3.02Å; D402-G425 PolarHBondContact OD1-N 2.83Å; D402-G425 PolarHBondContact OD2-N 3.41Å |
| 403 | G | 90.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 44 Ų | 44 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | -3.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R422 R485 T487 N488 | G403-R422 PolarHBondContact N-O 2.85Å; G403-R485 CarbonylContact C-O 3.38Å; G403-R485 WeakPolarHBondContact CA-O 3.41Å; G403-T487 PolarHBondContact O-N 3.36Å; G403-T487 PolarHBondContact O-OG1 3.15Å; G403-N488 PolarHBondContact O-N 2.9Å |
| 404 | S | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 139.7 | 170.3 | -54.9 | 0 | 0 | 0 | 0 | 112.2 | V400 P401 D402 F421 R422 N488 | V400-S404 WeakPolarHBondContact CG1-OG 3.46Å; P401-S404 WeakPolarHBondContact O-CB 3.34Å; P401-S404 PolarHBondContact O-N 3.03Å; P401-S404 VanDerWaalsContact O-N 3.13Å; P401-S404 PolarHBondContact O-OG 3.03Å; D402-S404 VanDerWaalsContact C-N 3.26Å; S404-F421 CarbonylContact O-C 3.54Å; S404-F421 VanDerWaalsContact O-CA 3.27Å; S404-F421 WeakPolarHBondContact O-CA 3.4Å; S404-R422 PolarHBondContact O-N 2.84Å; S404-N488 VanDerWaalsContact CA-O 3.25Å; S404-N488 WeakPolarHBondContact CA-O 3.43Å; S404-N488 WeakPolarHBondContact OG-CB 3.42Å |
| 405 | F | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 162.4 | -175.2 | 72.9 | -88.6 | 0 | 0 | 0 | 113.4 | L419 S420 F421 I457 I461 L486 N488 P489 V490 | F405-L419 HydrophobicContact CB-CD1 4.15Å; F405-L419 HydrophobicContact CD2-CD1 3.7Å; F405-L419 HydrophobicContact CG-CD1 4.26Å; F405-S420 CarbonylContact C-O 3.59Å; F405-S420 VanDerWaalsContact CA-O 3.25Å; F405-S420 WeakPolarHBondContact CA-O 3.35Å; F405-F421 HydrophobicContact CB-CB 3.73Å; F405-I457 HydrophobicContact CE2-CG2 3.82Å; F405-I457 HydrophobicContact CZ-CG2 4.07Å; F405-I461 HydrophobicContact CE1-CD1 4.4Å; F405-I461 HydrophobicContact CE1-CG1 4.17Å; F405-I461 HydrophobicContact CZ-CD1 3.87Å; F405-I461 HydrophobicContact CZ-CG1 4.01Å; F405-L486 HydrophobicContact CB-CD2 3.91Å; F405-L486 HydrophobicContact CD1-CB 3.88Å; F405-L486 HydrophobicContact CD1-CD2 4.2Å; F405-L486 HydrophobicContact CE1-CB 4.06Å; F405-L486 HydrophobicContact CG-CB 4.49Å; F405-L486 HydrophobicContact CG-CD2 4.12Å; F405-N488 PolarHBondContact N-O 3.11Å; F405-P489 HydrophobicContact CE1-CB 4.1Å; F405-P489 HydrophobicContact CE2-CB 4.23Å; F405-P489 HydrophobicContact CZ-CB 3.68Å; F405-P489 HydrophobicContact CZ-CG 4.44Å; F405-V490 WeakPolarHBondContact O-CB 3.27Å; F405-V490 PolarHBondContact O-N 2.72Å |
| 406 | L | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 157.8 | 170.1 | 63.2 | 85.3 | 0 | 0 | 0 | 110.8 | W385 I388 A393 K396 L397 R408 S420 | W385-L406 HydrophobicContact CG-CD1 4.46Å; W385-L406 HydrophobicContact CG-CD2 4.4Å; I388-L406 HydrophobicContact CD1-CD1 4Å; A393-L406 HydrophobicContact CB-CD1 4.04Å; A393-L406 HydrophobicContact CB-CD2 4.48Å; K396-L406 HydrophobicContact CB-CD2 4.02Å; L397-L406 HydrophobicContact CD1-CD2 4.29Å; L397-L406 HydrophobicContact CD1-CG 4.33Å; L397-L406 HydrophobicContact CD2-CD2 4.45Å; L397-L406 HydrophobicContact CG-CD2 4.13Å; L406-R408 HydrophobicContact CD1-CB 4.19Å; L406-R408 HydrophobicContact CD1-CG 4.27Å; L406-S420 PolarHBondContact N-O 2.79Å; L406-S420 PolarHBondContact O-N 2.92Å |
| 407 | V | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 140.7 | 170.3 | -176 | 0 | 0 | 0 | 0 | 109.4 | W383 Y384 W385 L417 L419 I432 I457 | W383-V407 HydrophobicContact CE3-CB 3.73Å; W383-V407 HydrophobicContact CE3-CG2 3.61Å; W383-V407 HydrophobicContact CZ3-CB 3.72Å; W383-V407 HydrophobicContact CZ3-CG1 4.33Å; W383-V407 HydrophobicContact CZ3-CG2 3.57Å; W383-V407 PolarHBondContact O-N 3.25Å; Y384-V407 WeakPolarHBondContact CA-O 3.48Å; Y384-V407 HydrophobicContact CD2-CB 4.44Å; Y384-V407 HydrophobicContact CD2-CG1 4.26Å; W385-V407 PolarHBondContact N-O 3.06Å; V407-L417 HydrophobicContact CG1-CB 4.42Å; V407-L417 HydrophobicContact CG1-CD2 4.47Å; V407-L419 HydrophobicContact CG2-CD1 3.89Å; V407-I432 HydrophobicContact CG1-CD1 4.07Å; V407-I457 HydrophobicContact CG2-CD1 3.83Å; V407-I457 HydrophobicContact CG2-CG1 4.18Å |
| 408 | R | 95.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 3% | 0.034 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 169.2 | 179.9 | 59.3 | 171.9 | -174 | 92.5 | -4.9 | 110.2 | G386 I388 L406 S411 L417 S418 S420 | G386-R408 WeakPolarHBondContact O-CA 3.44Å; G386-R408 WeakPolarHBondContact O-CB 3.47Å; I388-R408 HydrophobicContact CD1-CB 4.32Å; I388-R408 HydrophobicContact CG1-CB 3.64Å; I388-R408 HydrophobicContact CG1-CG 4.41Å; L406-R408 HydrophobicContact CD1-CB 4.19Å; L406-R408 HydrophobicContact CD1-CG 4.27Å; R408-S411 PolarHBondContact NH1-OG 2.89Å; R408-L417 CarbonylContact O-C 3.57Å; R408-L417 WeakPolarHBondContact O-CA 3.46Å; R408-S418 WeakPolarHBondContact CG-O 3.34Å; R408-S418 PolarHBondContact N-O 2.85Å; R408-S418 VanDerWaalsContact N-O 3.09Å; R408-S418 PolarHBondContact O-N 2.86Å; R408-S420 PolarHBondContact NE-OG 3.23Å; R408-S420 VanDerWaalsContact NE-OG 3.12Å |
| 409 | D | 93.3 | Very high | 91.9 | Very high | 45 Ų | 45 | 48.7 Ų | 48.7 | 24% | 0.241 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 148.5 | 170 | -57.7 | 37.6 | 0 | 0 | 0 | 110.4 | Y384 G386 P387 L416 | Y384-D409 PolarHBondContact OH-OD1 3.38Å; Y384-D409 VanDerWaalsContact OH-OD1 3.13Å; G386-D409 WeakPolarHBondContact CA-OD1 3.04Å; G386-D409 PolarHBondContact O-N 3.31Å; G386-D409 VanDerWaalsContact O-N 3.08Å; P387-D409 HydrophobicContact CB-CB 4.03Å; P387-D409 WeakPolarHBondContact CG-OD2 3.38Å; P387-D409 VanDerWaalsContact N-OD1 3.1Å; D409-L416 WeakPolarHBondContact CA-O 3.5Å |
| 410 | S | 93.1 | Very high | 92.2 | Very high | 24 Ų | 24 | 41.2 Ų | 41.2 | 17% | 0.168 | 22% | 0.219 | C | C | . | . | trans | -65.1 | 155.4 | 172.2 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | D412 Y415 L416 | S410-D412 PolarHBondContact OG-N 3.12Å; S410-D412 PolarHBondContact OG-O 3.29Å; S410-Y415 WeakPolarHBondContact CB-O 3.48Å; S410-Y415 WeakPolarHBondContact OG-CB 3.4Å; S410-Y415 PolarHBondContact OG-O 3.04Å; S410-L416 PolarHBondContact N-O 2.72Å | ||
| 411 | S | 89.1 | Confident | 92.4 | Very high | 86 Ų | 86 | 39.8 Ų | 39.8 | 60% | 0.601 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -111.4 | 20.9 | 170.9 | -41.3 | 0 | 0 | 0 | 0 | 111.7 | R408 | R408-S411 PolarHBondContact NH1-OG 2.89Š|
| 412 | D | 87.3 | Confident | 92.4 | Very high | 33 Ų | 33 | 38.1 Ų | 38.1 | 18% | 0.176 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -139 | 119.4 | 178.5 | -178.9 | -55.3 | 0 | 0 | 0 | 107.9 | S410 R414 Y415 R431 | S410-D412 PolarHBondContact OG-N 3.12Å; S410-D412 PolarHBondContact OG-O 3.29Å; D412-R414 PolarHBondContact O-N 3.14Å; D412-R414 IonicContact OD1-CZ 3.9Å; D412-R414 PolarHBondContact OD1-N 2.9Å; D412-R414 IonicContact OD1-NE 2.86Å; D412-R414 PolarHBondContact OD1-NE 3.02Å; D412-R414 IonicContact OD1-NH2 2.67Å; D412-R414 PolarHBondContact OD1-NH2 3.3Å; D412-R414 IonicContact OD2-CZ 3.95Å; D412-R414 IonicContact OD2-NE 3.36Å; D412-R414 IonicContact OD2-NH2 3.28Å; D412-R414 PolarHBondContact OD2-NH2 3.24Å; D412-Y415 PolarHBondContact O-N 2.9Å; D412-Y415 VanDerWaalsContact O-O 3.1Å; D412-R431 VanDerWaalsContact CB-NH2 3.31Å; D412-R431 IonicContact OD1-NH1 3.59Å; D412-R431 IonicContact OD2-CZ 2.95Å; D412-R431 IonicContact OD2-NH1 3.31Å; D412-R431 PolarHBondContact OD2-NH1 2.73Å; D412-R431 IonicContact OD2-NH2 3.79Å; D412-R431 PolarHBondContact OD2-NH2 3.34Å |
| 413 | D | 86 | Confident | 92.3 | Very high | 171 Ų | 171 | 34.8 Ų | 34.8 | 91% | 0.914 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -15.3 | -165.7 | -48 | -40.1 | 0 | 0 | 0 | 115.1 | Y415 | D413-Y415 VanDerWaalsContact C-N 3.28Š|
| 414 | R | 88.1 | Confident | 92.2 | Very high | 178 Ų | 178 | 40.2 Ų | 40.2 | 67% | 0.672 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.2 | 178.1 | -61.6 | 171.5 | -68.3 | 170.4 | -6.2 | 113.6 | D412 | D412-R414 PolarHBondContact O-N 3.14Å; D412-R414 IonicContact OD1-CZ 3.9Å; D412-R414 PolarHBondContact OD1-N 2.9Å; D412-R414 IonicContact OD1-NE 2.86Å; D412-R414 PolarHBondContact OD1-NE 3.02Å; D412-R414 IonicContact OD1-NH2 2.67Å; D412-R414 PolarHBondContact OD1-NH2 3.3Å; D412-R414 IonicContact OD2-CZ 3.95Å; D412-R414 IonicContact OD2-NE 3.36Å; D412-R414 IonicContact OD2-NH2 3.28Å; D412-R414 PolarHBondContact OD2-NH2 3.24Å |
| 415 | Y | 89.6 | Confident | 91.8 | Very high | 36 Ų | 36 | 42 Ų | 42 | 14% | 0.141 | 22% | 0.218 | C | C | . | . | trans | -129.6 | 144.6 | -173.7 | -67.9 | -86.1 | 0 | 0 | 0 | 108.9 | S410 D412 D413 R431 E433 | S410-Y415 WeakPolarHBondContact CB-O 3.48Å; S410-Y415 WeakPolarHBondContact OG-CB 3.4Å; S410-Y415 PolarHBondContact OG-O 3.04Å; D412-Y415 PolarHBondContact O-N 2.9Å; D412-Y415 VanDerWaalsContact O-O 3.1Å; D413-Y415 VanDerWaalsContact C-N 3.28Å; Y415-R431 HydrophobicContact CD1-CB 3.74Å; Y415-R431 VanDerWaalsContact CD2-CD 3.45Å; Y415-R431 HydrophobicContact CE1-CB 3.99Å; Y415-R431 HydrophobicContact CG-CB 4.05Å; Y415-R431 HydrophobicContact CG-CG 4.4Å; Y415-E433 HydrophobicContact CD1-CG 4.49Å; Y415-E433 HydrophobicContact CE1-CB 4.25Å; Y415-E433 HydrophobicContact CE1-CG 3.76Å; Y415-E433 WeakPolarHBondContact CE1-OE1 3.45Å; Y415-E433 VanDerWaalsContact CZ-OE1 3.29Å; Y415-E433 PolarHBondContact OH-OE1 2.82Å | ||
| 416 | L | 91.3 | Very high | 91.5 | Very high | 82 Ų | 82 | 47.4 Ų | 47.4 | 43% | 0.429 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -87.7 | -38.2 | 179 | -61.3 | 170.9 | 0 | 0 | 0 | 111.6 | L371 D409 S410 | L371-L416 HydrophobicContact CD1-CD1 3.9Å; L371-L416 HydrophobicContact CD2-CD1 3.68Å; L371-L416 HydrophobicContact CG-CD1 4.28Å; D409-L416 WeakPolarHBondContact CA-O 3.5Å; S410-L416 PolarHBondContact N-O 2.72Å |
| 417 | L | 93.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 161.3 | -167.6 | -62.4 | 168 | 0 | 0 | 0 | 112.1 | L375 L378 Y384 V407 R408 I432 I453 | L375-L417 HydrophobicContact CD2-CD1 4.27Å; L378-L417 HydrophobicContact CD1-CD1 3.63Å; L378-L417 HydrophobicContact CD1-CD2 4Å; L378-L417 HydrophobicContact CD1-CG 4.48Å; Y384-L417 HydrophobicContact CE2-CD2 3.76Å; V407-L417 HydrophobicContact CG1-CB 4.42Å; V407-L417 HydrophobicContact CG1-CD2 4.47Å; R408-L417 CarbonylContact O-C 3.57Å; R408-L417 WeakPolarHBondContact O-CA 3.46Å; L417-I432 HydrophobicContact CB-CB 4.12Å; L417-I432 HydrophobicContact CB-CD1 4.06Å; L417-I432 HydrophobicContact CB-CG1 4.39Å; L417-I432 PolarHBondContact O-N 3.26Å; L417-I432 VanDerWaalsContact O-N 3.1Å; L417-I453 HydrophobicContact CD1-CD1 3.39Å; L417-I453 HydrophobicContact CD1-CG1 4.14Å; L417-I453 HydrophobicContact CD1-CG2 4.36Å |
| 418 | S | 94.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 50 Ų | 50 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 129.1 | 173.3 | -68.1 | 0 | 0 | 0 | 0 | 111.1 | R408 T430 | R408-S418 WeakPolarHBondContact CG-O 3.34Å; R408-S418 PolarHBondContact N-O 2.85Å; R408-S418 VanDerWaalsContact N-O 3.09Å; R408-S418 PolarHBondContact O-N 2.86Å; S418-T430 CarbonylContact C-O 3.48Å; S418-T430 WeakPolarHBondContact CA-O 3.42Å |
| 419 | L | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 135.2 | 163.6 | -176.8 | 74.5 | 0 | 0 | 0 | 108.7 | F405 V407 F421 H429 T430 F441 I457 L486 | F405-L419 HydrophobicContact CB-CD1 4.15Å; F405-L419 HydrophobicContact CD2-CD1 3.7Å; F405-L419 HydrophobicContact CG-CD1 4.26Å; V407-L419 HydrophobicContact CG2-CD1 3.89Å; L419-F421 HydrophobicContact CD2-CD1 3.69Å; L419-F421 HydrophobicContact CD2-CE1 4.18Å; L419-F421 HydrophobicContact CG-CD1 4Å; L419-H429 WeakPolarHBondContact O-CA 3.34Å; L419-T430 PolarHBondContact N-O 3.24Å; L419-T430 PolarHBondContact O-N 2.86Å; L419-F441 HydrophobicContact CB-CE1 3.82Å; L419-F441 HydrophobicContact CB-CZ 4.42Å; L419-F441 HydrophobicContact CD2-CE1 3.8Å; L419-F441 HydrophobicContact CD2-CE2 4.48Å; L419-F441 HydrophobicContact CD2-CZ 3.7Å; L419-F441 HydrophobicContact CG-CE1 4.36Å; L419-F441 HydrophobicContact CG-CZ 4.5Å; L419-I457 HydrophobicContact CD1-CD1 4.07Å; L419-L486 HydrophobicContact CD2-CD1 3.74Å; L419-L486 HydrophobicContact CD2-CD2 3.99Å |
| 420 | S | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.7 | 172 | -53.8 | 0 | 0 | 0 | 0 | 107.8 | L397 F405 L406 R408 L428 H429 | L397-S420 WeakPolarHBondContact CD1-O 3.46Å; F405-S420 CarbonylContact C-O 3.59Å; F405-S420 VanDerWaalsContact CA-O 3.25Å; F405-S420 WeakPolarHBondContact CA-O 3.35Å; L406-S420 PolarHBondContact N-O 2.79Å; L406-S420 PolarHBondContact O-N 2.92Å; R408-S420 PolarHBondContact NE-OG 3.23Å; R408-S420 VanDerWaalsContact NE-OG 3.12Å; S420-L428 WeakPolarHBondContact CA-O 3.4Å; S420-H429 VanDerWaalsContact CB-ND1 3.3Å; S420-H429 WeakPolarHBondContact CB-ND1 3.38Å; S420-H429 PolarHBondContact OG-ND1 3.05Å |
| 421 | F | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 158.3 | -172.7 | 62.4 | -102.4 | 0 | 0 | 0 | 112.3 | S404 F405 L419 T427 L428 T430 V484 L486 | S404-F421 CarbonylContact O-C 3.54Å; S404-F421 VanDerWaalsContact O-CA 3.27Å; S404-F421 WeakPolarHBondContact O-CA 3.4Å; F405-F421 HydrophobicContact CB-CB 3.73Å; L419-F421 HydrophobicContact CD2-CD1 3.69Å; L419-F421 HydrophobicContact CD2-CE1 4.18Å; L419-F421 HydrophobicContact CG-CD1 4Å; F421-T427 CarbonylContact O-C 3.58Å; F421-T427 WeakPolarHBondContact O-CA 3.21Å; F421-L428 HydrophobicContact CD2-CB 4.07Å; F421-L428 HydrophobicContact CE2-CB 3.62Å; F421-L428 HydrophobicContact CE2-CD1 3.86Å; F421-L428 HydrophobicContact CE2-CG 4.3Å; F421-L428 HydrophobicContact CZ-CB 3.88Å; F421-L428 HydrophobicContact CZ-CD1 4.4Å; F421-L428 PolarHBondContact N-O 3.22Å; F421-L428 PolarHBondContact O-N 3.45Å; F421-T430 WeakPolarHBondContact CE1-OG1 3.32Å; F421-V484 HydrophobicContact CD2-CB 4.15Å; F421-V484 HydrophobicContact CD2-CG1 3.99Å; F421-V484 HydrophobicContact CD2-CG2 3.72Å; F421-V484 HydrophobicContact CE2-CB 3.91Å; F421-V484 HydrophobicContact CE2-CG1 3.54Å; F421-V484 HydrophobicContact CE2-CG2 4.02Å; F421-V484 HydrophobicContact CZ-CG1 3.9Å; F421-L486 HydrophobicContact CB-CD2 3.89Å; F421-L486 HydrophobicContact CD1-CD2 4.32Å; F421-L486 HydrophobicContact CG-CD2 4.16Å |
| 422 | R | 93.1 | Very high | 91.1 | Very high | 48 Ų | 48 | 49 Ų | 49 | 18% | 0.181 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.5 | 179.6 | -168.6 | 150.3 | -175.8 | -116.9 | 3.7 | 111.9 | L397 A398 V400 D402 G403 S404 G425 K426 | L397-R422 HydrophobicContact CB-CB 4.49Å; L397-R422 WeakPolarHBondContact O-CD 3.14Å; A398-R422 PolarHBondContact O-NH1 3.15Å; A398-R422 VanDerWaalsContact O-NH1 3.15Å; A398-R422 PolarHBondContact O-NH2 3.43Å; V400-R422 WeakPolarHBondContact O-CD 3.47Å; V400-R422 PolarHBondContact O-NH1 3.09Å; D402-R422 WeakPolarHBondContact OD1-CG 3.18Å; G403-R422 PolarHBondContact N-O 2.85Å; S404-R422 PolarHBondContact O-N 2.84Å; R422-G425 PolarHBondContact NE-O 2.96Å; R422-G425 PolarHBondContact NH2-O 3.38Å; R422-K426 CarbonylContact C-O 3.54Å; R422-K426 WeakPolarHBondContact CA-O 3.44Å |
| 423 | S | 90 | Very high | 91.2 | Very high | 5 Ų | 5 | 49 Ų | 49 | 4% | 0.035 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 132.8 | 178 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | G425 K426 P483 | S423-G425 PolarHBondContact O-N 3.29Å; S423-K426 PolarHBondContact N-O 2.94Å; S423-K426 PolarHBondContact O-N 3.48Å; S423-K426 VanDerWaalsContact O-O 3.09Å; S423-P483 PolarHBondContact OG-O 2.82Å |
| 424 | H | 87.3 | Confident | 91.2 | Very high | 118 Ų | 118 | 44.5 Ų | 44.5 | 55% | 0.546 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 43.2 | -177.4 | -57.7 | 73.4 | 0 | 0 | 0 | 112.1 | D402 K426 | D402-H424 PolarHBondContact OD1-N 2.84Å; D402-H424 WeakPolarHBondContact OD2-CA 3.09Å; D402-H424 PolarHBondContact OD2-N 3.02Å; H424-K426 PolarHBondContact O-N 2.65Å; H424-K426 VanDerWaalsContact O-N 3.14Å |
| 425 | G | 86.5 | Confident | 91 | Very high | 37 Ų | 37 | 39.4 Ų | 39.4 | 38% | 0.381 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | -9.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D402 R422 S423 | D402-G425 PolarHBondContact OD1-N 2.83Å; D402-G425 PolarHBondContact OD2-N 3.41Å; R422-G425 PolarHBondContact NE-O 2.96Å; R422-G425 PolarHBondContact NH2-O 3.38Å; S423-G425 PolarHBondContact O-N 3.29Å |
| 426 | K | 89.2 | Confident | 90.7 | Very high | 114 Ų | 114 | 45 Ų | 45 | 50% | 0.496 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 144.2 | -176.9 | -62.5 | 173.9 | -173.3 | 170.3 | 0 | 111.4 | R422 S423 H424 | R422-K426 CarbonylContact C-O 3.54Å; R422-K426 WeakPolarHBondContact CA-O 3.44Å; S423-K426 PolarHBondContact N-O 2.94Å; S423-K426 PolarHBondContact O-N 3.48Å; S423-K426 VanDerWaalsContact O-O 3.09Å; H424-K426 PolarHBondContact O-N 2.65Å; H424-K426 VanDerWaalsContact O-N 3.14Å |
| 427 | T | 92.6 | Very high | 90.1 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 15% | 0.153 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 133.6 | 168.8 | -54.9 | 0 | 0 | 0 | 0 | 110.3 | E394 L397 F421 | E394-T427 HydrophobicContact CB-CG2 4.44Å; E394-T427 HydrophobicContact CG-CG2 3.83Å; L397-T427 HydrophobicContact CB-CG2 4.28Å; L397-T427 HydrophobicContact CD1-CG2 3.65Å; F421-T427 CarbonylContact O-C 3.58Å; F421-T427 WeakPolarHBondContact O-CA 3.21Å |
| 428 | L | 91.7 | Very high | 89.8 | Confident | 30 Ų | 30 | 45.9 Ų | 45.9 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 160.9 | 176.8 | -63.1 | 175.7 | 0 | 0 | 0 | 109.3 | S420 F421 Y482 | S420-L428 WeakPolarHBondContact CA-O 3.4Å; F421-L428 HydrophobicContact CD2-CB 4.07Å; F421-L428 HydrophobicContact CE2-CB 3.62Å; F421-L428 HydrophobicContact CE2-CD1 3.86Å; F421-L428 HydrophobicContact CE2-CG 4.3Å; F421-L428 HydrophobicContact CZ-CB 3.88Å; F421-L428 HydrophobicContact CZ-CD1 4.4Å; F421-L428 PolarHBondContact N-O 3.22Å; F421-L428 PolarHBondContact O-N 3.45Å; L428-Y482 HydrophobicContact CD1-CD2 4.02Å; L428-Y482 HydrophobicContact CD1-CG 4.1Å |
| 429 | H | 92 | Very high | 89.5 | Confident | 38 Ų | 38 | 45.9 Ų | 45.9 | 18% | 0.176 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 143.4 | -179 | -50.7 | -82.5 | 0 | 0 | 0 | 110.8 | R390 E394 L419 S420 | R390-H429 WeakPolarHBondContact CG-NE2 3.35Å; R390-H429 PolarHBondContact NE-CD2 3.36Å; R390-H429 PolarHBondContact NE-NE2 3.22Å; E394-H429 IonicContact OE1-CD2 2.67Å; E394-H429 IonicContact OE1-NE2 2.84Å; E394-H429 PolarHBondContact OE1-NE2 2.67Å; E394-H429 VanDerWaalsContact OE1-NE2 3.11Å; L419-H429 WeakPolarHBondContact O-CA 3.34Å; S420-H429 VanDerWaalsContact CB-ND1 3.3Å; S420-H429 WeakPolarHBondContact CB-ND1 3.38Å; S420-H429 PolarHBondContact OG-ND1 3.05Å |
| 430 | T | 91.6 | Very high | 89.2 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 138.4 | 173.9 | -59 | 0 | 0 | 0 | 0 | 108 | S418 L419 F421 F441 Y471 S472 | S418-T430 CarbonylContact C-O 3.48Å; S418-T430 WeakPolarHBondContact CA-O 3.42Å; L419-T430 PolarHBondContact N-O 3.24Å; L419-T430 PolarHBondContact O-N 2.86Å; F421-T430 WeakPolarHBondContact CE1-OG1 3.32Å; T430-F441 HydrophobicContact CG2-CB 3.91Å; T430-F441 HydrophobicContact CG2-CD1 3.83Å; T430-F441 HydrophobicContact CG2-CG 4.17Å; T430-Y471 VanDerWaalsContact CG2-O 3.27Å; T430-Y471 WeakPolarHBondContact CG2-O 3.41Å; T430-Y471 VanDerWaalsContact OG1-C 3.23Å; T430-Y471 PolarHBondContact OG1-O 3.25Å; T430-Y471 VanDerWaalsContact OG1-O 3.09Å; T430-S472 WeakPolarHBondContact OG1-CA 3.31Å; T430-S472 PolarHBondContact OG1-N 2.9Å |
| 431 | R | 92.2 | Very high | 88.7 | Confident | 90 Ų | 90 | 47.4 Ų | 47.4 | 34% | 0.34 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 145.5 | 178.5 | -60 | -176.2 | -178.4 | -176.4 | -7.7 | 108.9 | D412 Y415 | D412-R431 VanDerWaalsContact CB-NH2 3.31Å; D412-R431 IonicContact OD1-NH1 3.59Å; D412-R431 IonicContact OD2-CZ 2.95Å; D412-R431 IonicContact OD2-NH1 3.31Å; D412-R431 PolarHBondContact OD2-NH1 2.73Å; D412-R431 IonicContact OD2-NH2 3.79Å; D412-R431 PolarHBondContact OD2-NH2 3.34Å; Y415-R431 HydrophobicContact CD1-CB 3.74Å; Y415-R431 VanDerWaalsContact CD2-CD 3.45Å; Y415-R431 HydrophobicContact CE1-CB 3.99Å; Y415-R431 HydrophobicContact CG-CB 4.05Å; Y415-R431 HydrophobicContact CG-CG 4.4Å |
| 432 | I | 91.6 | Very high | 87.9 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 117 | 172.8 | -57.9 | 177.5 | 0 | 0 | 0 | 106.5 | V407 L417 F439 S440 F441 I453 L456 | V407-I432 HydrophobicContact CG1-CD1 4.07Å; L417-I432 HydrophobicContact CB-CB 4.12Å; L417-I432 HydrophobicContact CB-CD1 4.06Å; L417-I432 HydrophobicContact CB-CG1 4.39Å; L417-I432 PolarHBondContact O-N 3.26Å; L417-I432 VanDerWaalsContact O-N 3.1Å; I432-F439 HydrophobicContact CG2-CB 4.22Å; I432-F439 HydrophobicContact CG2-CD1 4.13Å; I432-S440 CarbonylContact C-O 3.59Å; I432-S440 WeakPolarHBondContact CA-O 3.39Å; I432-F441 HydrophobicContact CD1-CE1 4.19Å; I432-F441 HydrophobicContact CG1-CD1 4.07Å; I432-F441 HydrophobicContact CG1-CE1 3.75Å; I432-I453 HydrophobicContact CD1-CG2 4.11Å; I432-L456 HydrophobicContact CG2-CD2 3.84Å |
| 433 | E | 89.8 | Confident | 86.5 | Confident | 33 Ų | 33 | 56.1 Ų | 56.1 | 15% | 0.154 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 146.8 | 178.4 | -36.4 | -149.3 | 103.2 | 0 | 0 | 108 | Y415 F439 S440 Y442 E443 | Y415-E433 HydrophobicContact CD1-CG 4.49Å; Y415-E433 HydrophobicContact CE1-CB 4.25Å; Y415-E433 HydrophobicContact CE1-CG 3.76Å; Y415-E433 WeakPolarHBondContact CE1-OE1 3.45Å; Y415-E433 VanDerWaalsContact CZ-OE1 3.29Å; Y415-E433 PolarHBondContact OH-OE1 2.82Å; E433-F439 WeakPolarHBondContact O-CA 3.3Å; E433-S440 PolarHBondContact N-O 2.96Å; E433-S440 PolarHBondContact O-N 3.01Å; E433-Y442 WeakPolarHBondContact OE2-CA 3.48Å; E433-E443 WeakPolarHBondContact OE2-CB 3.27Å; E433-E443 PolarHBondContact OE2-N 3.1Å |
| 434 | H | 87.4 | Confident | 84.8 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 35% | 0.352 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 109.4 | 179.9 | 171.9 | -103.4 | 0 | 0 | 0 | 109.5 | R438 F439 | H434-R438 WeakPolarHBondContact CA-O 2.98Å; H434-F439 HydrophobicContact CB-CD1 3.84Å; H434-F439 HydrophobicContact CB-CE1 3.85Å; H434-F439 AromaticContact CD2-CD1 3.65Å; H434-F439 AromaticContact CD2-CE1 3.27Å; H434-F439 WeakPolarHBondContact CD2-CE1 3.4Å; H434-F439 AromaticContact CD2-CE2 3.94Å; H434-F439 AromaticContact CD2-CZ 3.44Å; H434-F439 VanDerWaalsContact CD2-CZ 3.44Å; H434-F439 WeakPolarHBondContact CD2-CZ 3.46Å; H434-F439 AromaticContact CG-CE1 3.7Å; H434-F439 AromaticContact NE2-CZ 3.97Å |
| 435 | S | 83.3 | Confident | 83.1 | Confident | 71 Ų | 71 | 59.4 Ų | 59.4 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139.5 | -177.1 | 54.6 | 0 | 0 | 0 | 0 | 109.6 | G437 R438 | S435-G437 PolarHBondContact O-N 2.75Å; S435-R438 PolarHBondContact N-O 3.36Å; S435-R438 PolarHBondContact O-N 2.75Å; S435-R438 VanDerWaalsContact O-O 3.13Å |
| 436 | N | 81.9 | Confident | 81.5 | Confident | 152 Ų | 152 | 64.7 Ų | 64.7 | 81% | 0.813 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 29.8 | 177.8 | -58.7 | 8.8 | 0 | 0 | 0 | 115.3 | M366 | M366-N436 VanDerWaalsContact CE-O 3.3Å; M366-N436 WeakPolarHBondContact CE-O 3.18Å |
| 437 | G | 80.6 | Confident | 80 | Confident | 30 Ų | 30 | 63 Ų | 63 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 19.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S435 | S435-G437 PolarHBondContact O-N 2.75Š|
| 438 | R | 86.6 | Confident | 78.6 | Confident | 75 Ų | 75 | 69.4 Ų | 69.4 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 149.8 | 176 | -58.3 | -73 | -82.9 | -144.8 | -8.8 | 110.3 | H434 S435 E448 G449 H450 | H434-R438 WeakPolarHBondContact CA-O 2.98Å; S435-R438 PolarHBondContact N-O 3.36Å; S435-R438 PolarHBondContact O-N 2.75Å; S435-R438 VanDerWaalsContact O-O 3.13Å; R438-E448 IonicContact NH2-OE1 3.68Å; R438-G449 PolarHBondContact NE-O 2.83Å; R438-G449 PolarHBondContact NH2-O 2.9Å; R438-H450 CarbonylContact C-O 3.49Å; R438-H450 WeakPolarHBondContact CA-O 3.38Å |
| 439 | F | 89 | Confident | 77.8 | Confident | 6 Ų | 6 | 68.6 Ų | 68.6 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.3 | -178.3 | -61.1 | -84.7 | 0 | 0 | 0 | 111.9 | L371 E374 I432 E433 H434 G449 H450 T451 I453 L456 | L371-F439 HydrophobicContact CD1-CE1 4.05Å; L371-F439 HydrophobicContact CD1-CZ 3.76Å; E374-F439 HydrophobicContact CB-CZ 4.49Å; E374-F439 HydrophobicContact CG-CE2 4.35Å; I432-F439 HydrophobicContact CG2-CB 4.22Å; I432-F439 HydrophobicContact CG2-CD1 4.13Å; E433-F439 WeakPolarHBondContact O-CA 3.3Å; H434-F439 HydrophobicContact CB-CD1 3.84Å; H434-F439 HydrophobicContact CB-CE1 3.85Å; H434-F439 AromaticContact CD2-CD1 3.65Å; H434-F439 AromaticContact CD2-CE1 3.27Å; H434-F439 WeakPolarHBondContact CD2-CE1 3.4Å; H434-F439 AromaticContact CD2-CE2 3.94Å; H434-F439 AromaticContact CD2-CZ 3.44Å; H434-F439 VanDerWaalsContact CD2-CZ 3.44Å; H434-F439 WeakPolarHBondContact CD2-CZ 3.46Å; H434-F439 AromaticContact CG-CE1 3.7Å; H434-F439 AromaticContact NE2-CZ 3.97Å; F439-G449 CarbonylContact O-C 3.54Å; F439-G449 VanDerWaalsContact O-CA 3.27Å; F439-G449 WeakPolarHBondContact O-CA 3.25Å; F439-H450 PolarHBondContact N-O 3.1Å; F439-H450 PolarHBondContact O-N 2.95Å; F439-T451 WeakPolarHBondContact CE2-O 3.39Å; F439-I453 HydrophobicContact CB-CG1 4.27Å; F439-I453 HydrophobicContact CD1-CD1 3.96Å; F439-I453 HydrophobicContact CD1-CG1 3.43Å; F439-I453 VanDerWaalsContact CD1-CG1 3.43Å; F439-I453 HydrophobicContact CD2-CG1 3.78Å; F439-I453 HydrophobicContact CE1-CD1 3.53Å; F439-I453 HydrophobicContact CE1-CG1 3.54Å; F439-I453 HydrophobicContact CE2-CD1 4.2Å; F439-I453 HydrophobicContact CE2-CG1 3.89Å; F439-I453 HydrophobicContact CG-CD1 4.45Å; F439-I453 HydrophobicContact CG-CG1 3.55Å; F439-I453 HydrophobicContact CZ-CD1 3.66Å; F439-I453 HydrophobicContact CZ-CG1 3.77Å; F439-L456 HydrophobicContact CB-CD2 4.07Å |
| 440 | S | 88.1 | Confident | 77.5 | Confident | 18 Ų | 18 | 68.4 Ų | 68.4 | 13% | 0.126 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 170.2 | 174.1 | 77.2 | 0 | 0 | 0 | 0 | 112.4 | I432 E433 Y442 | I432-S440 CarbonylContact C-O 3.59Å; I432-S440 WeakPolarHBondContact CA-O 3.39Å; E433-S440 PolarHBondContact N-O 2.96Å; E433-S440 PolarHBondContact O-N 3.01Å; S440-Y442 PolarHBondContact OG-N 2.86Å; S440-Y442 PolarHBondContact OG-O 2.93Å |
| 441 | F | 85.1 | Confident | 77.2 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 6% | 0.057 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -91.8 | -6.7 | 169.2 | -69.2 | -52.9 | 0 | 0 | 0 | 113.9 | L419 T430 I432 L456 I457 S460 Y471 | L419-F441 HydrophobicContact CB-CE1 3.82Å; L419-F441 HydrophobicContact CB-CZ 4.42Å; L419-F441 HydrophobicContact CD2-CE1 3.8Å; L419-F441 HydrophobicContact CD2-CE2 4.48Å; L419-F441 HydrophobicContact CD2-CZ 3.7Å; L419-F441 HydrophobicContact CG-CE1 4.36Å; L419-F441 HydrophobicContact CG-CZ 4.5Å; T430-F441 HydrophobicContact CG2-CB 3.91Å; T430-F441 HydrophobicContact CG2-CD1 3.83Å; T430-F441 HydrophobicContact CG2-CG 4.17Å; I432-F441 HydrophobicContact CD1-CE1 4.19Å; I432-F441 HydrophobicContact CG1-CD1 4.07Å; I432-F441 HydrophobicContact CG1-CE1 3.75Å; F441-L456 HydrophobicContact CD1-CD2 4.49Å; F441-L456 HydrophobicContact CD2-CD1 3.88Å; F441-L456 HydrophobicContact CD2-CG 4.45Å; F441-L456 HydrophobicContact CE1-CD2 4.22Å; F441-L456 HydrophobicContact CE2-CD1 3.82Å; F441-L456 HydrophobicContact CE2-CD2 4.41Å; F441-L456 HydrophobicContact CE2-CG 4.01Å; F441-L456 HydrophobicContact CZ-CD1 4.38Å; F441-L456 HydrophobicContact CZ-CD2 4.19Å; F441-L456 HydrophobicContact CZ-CG 4.1Å; F441-I457 HydrophobicContact CZ-CD1 3.85Å; F441-S460 WeakPolarHBondContact CE2-OG 3.44Å; F441-Y471 HydrophobicContact CB-CD1 4.48Å; F441-Y471 AromaticContact CD2-CD1 3.44Å; F441-Y471 HydrophobicContact CD2-CD1 3.44Å; F441-Y471 VanDerWaalsContact CD2-CD1 3.44Å; F441-Y471 AromaticContact CD2-CE1 3.84Å; F441-Y471 HydrophobicContact CD2-CE1 3.84Å; F441-Y471 HydrophobicContact CD2-CG 4.37Å; F441-Y471 AromaticContact CE2-CD1 3.85Å; F441-Y471 HydrophobicContact CE2-CD1 3.85Å; F441-Y471 HydrophobicContact CE2-CE1 4.01Å; F441-Y471 HydrophobicContact CG-CD1 4.14Å |
| 442 | Y | 77 | Confident | 77 | Confident | 53 Ų | 53 | 66.6 Ų | 66.6 | 21% | 0.208 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -162.1 | 138.7 | -175.9 | 26.4 | -108.8 | 0 | 0 | 0 | 111.2 | E433 S440 Q444 | E433-Y442 WeakPolarHBondContact OE2-CA 3.48Å; S440-Y442 PolarHBondContact OG-N 2.86Å; S440-Y442 PolarHBondContact OG-O 2.93Å; Y442-Q444 VanDerWaalsContact C-N 3.32Å; Y442-Q444 HydrophobicContact CD2-CB 4.4Å; Y442-Q444 HydrophobicContact CD2-CG 3.8Å; Y442-Q444 HydrophobicContact CE2-CG 4.49Å; Y442-Q444 HydrophobicContact CG-CG 4.45Å; Y442-Q444 PolarHBondContact O-N 2.9Å |
| 443 | E | 62.2 | Low | 77 | Confident | 179 Ų | 179 | 66.3 Ų | 66.3 | 84% | 0.836 | 36% | 0.356 | S | S | * | . | trans | -62.8 | 86.6 | 164.6 | -156 | 167.5 | -141.3 | 0 | 0 | 109.7 | E433 | E433-E443 WeakPolarHBondContact OE2-CB 3.27Å; E433-E443 PolarHBondContact OE2-N 3.1Å | ||
| 444 | Q | 55.6 | Low | 77.1 | Confident | 70 Ų | 70 | 65.6 Ų | 65.6 | 33% | 0.327 | 35% | 0.353 | S | S | . | . | trans | -113.7 | 125.9 | 168.3 | -75 | -164.7 | -112.9 | 0 | 0 | 109.1 | Y442 D446 V447 | Y442-Q444 VanDerWaalsContact C-N 3.32Å; Y442-Q444 HydrophobicContact CD2-CB 4.4Å; Y442-Q444 HydrophobicContact CD2-CG 3.8Å; Y442-Q444 HydrophobicContact CE2-CG 4.49Å; Y442-Q444 HydrophobicContact CG-CG 4.45Å; Y442-Q444 PolarHBondContact O-N 2.9Å; Q444-D446 VanDerWaalsContact C-N 3.27Å; Q444-D446 PolarHBondContact O-N 3.42Å; Q444-V447 HydrophobicContact CB-CB 4.07Å; Q444-V447 HydrophobicContact CB-CG2 3.88Å | ||
| 445 | P | 50.9 | Low | 77.2 | Confident | 122 Ų | 122 | 64.8 Ų | 64.8 | 79% | 0.792 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -22.7 | -174.7 | 27.4 | -33.3 | 0 | 0 | 0 | 113.4 | ||
| 446 | D | 52.1 | Low | 77.6 | Confident | 148 Ų | 148 | 61.6 Ų | 61.6 | 79% | 0.791 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 7 | -171.7 | -41.9 | -64.7 | 0 | 0 | 0 | 113.9 | Q444 | Q444-D446 VanDerWaalsContact C-N 3.27Å; Q444-D446 PolarHBondContact O-N 3.42Å |
| 447 | V | 58 | Low | 78 | Confident | 78 Ų | 78 | 54.4 Ų | 54.4 | 47% | 0.473 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -113.7 | 127.8 | -177.7 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | Q444 G449 | Q444-V447 HydrophobicContact CB-CB 4.07Å; Q444-V447 HydrophobicContact CB-CG2 3.88Å; V447-G449 PolarHBondContact O-N 3.09Å |
| 448 | E | 64.2 | Low | 78.5 | Confident | 159 Ų | 159 | 57.5 Ų | 57.5 | 74% | 0.743 | 30% | 0.297 | S | S | * | . | trans | -60.8 | 108.2 | 168.7 | -66.9 | -171.2 | 87.6 | 0 | 0 | 110.2 | R438 | R438-E448 IonicContact NH2-OE1 3.68Š| ||
| 449 | G | 74.9 | Confident | 78.6 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | trans | -61.3 | 173.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | R438 F439 V447 | R438-G449 PolarHBondContact NE-O 2.83Å; R438-G449 PolarHBondContact NH2-O 2.9Å; F439-G449 CarbonylContact O-C 3.54Å; F439-G449 VanDerWaalsContact O-CA 3.27Å; F439-G449 WeakPolarHBondContact O-CA 3.25Å; V447-G449 PolarHBondContact O-N 3.09Å | ||
| 450 | H | 84.5 | Confident | 78.6 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -107.9 | 153.5 | -172.2 | -57.8 | -102.6 | 0 | 0 | 0 | 113.2 | R438 F439 S452 D455 L456 H459 | R438-H450 CarbonylContact C-O 3.49Å; R438-H450 WeakPolarHBondContact CA-O 3.38Å; F439-H450 PolarHBondContact N-O 3.1Å; F439-H450 PolarHBondContact O-N 2.95Å; H450-S452 WeakPolarHBondContact CB-O 2.9Å; H450-D455 HydrophobicContact CB-CB 3.97Å; H450-L456 HydrophobicContact CB-CB 4.01Å; H450-L456 VanDerWaalsContact CD2-CD1 3.44Å; H450-L456 WeakPolarHBondContact CD2-CD1 3.25Å; H450-H459 AromaticContact CE1-CD2 3.79Å; H450-H459 AromaticContact CE1-CG 3.55Å |
| 451 | T | 85.4 | Confident | 78.7 | Confident | 57 Ų | 57 | 58.6 Ų | 58.6 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -66.4 | -46.8 | 176.2 | 18.3 | 0 | 0 | 0 | 0 | 113.1 | F439 D455 | F439-T451 WeakPolarHBondContact CE2-O 3.39Å; T451-D455 PolarHBondContact OG1-OD2 3.05Å |
| 452 | S | 88.9 | Confident | 78.8 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -107.5 | 155.7 | 171.3 | -165.7 | 0 | 0 | 0 | 0 | 111.4 | E374 H450 V454 D455 L456 | E374-S452 VanDerWaalsContact OE2-CB 3.22Å; E374-S452 WeakPolarHBondContact OE2-CB 3.39Å; E374-S452 PolarHBondContact OE2-OG 3.36Å; H450-S452 WeakPolarHBondContact CB-O 2.9Å; S452-V454 PolarHBondContact O-N 3.3Å; S452-V454 PolarHBondContact OG-N 3.44Å; S452-V454 VanDerWaalsContact OG-N 3.16Å; S452-D455 VanDerWaalsContact CB-CG 3.46Å; S452-D455 VanDerWaalsContact CB-OD1 3.31Å; S452-D455 WeakPolarHBondContact CB-OD1 3.08Å; S452-D455 WeakPolarHBondContact CB-OD2 3.29Å; S452-D455 PolarHBondContact N-OD2 2.85Å; S452-D455 WeakPolarHBondContact O-CB 3.47Å; S452-D455 PolarHBondContact O-N 2.76Å; S452-L456 PolarHBondContact O-N 2.87Å |
| 453 | I | 90.9 | Very high | 79.2 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.7 | -28.7 | 164.8 | -60.5 | 145 | 0 | 0 | 0 | 110.1 | L378 W383 L417 I432 F439 L456 I457 | L378-I453 HydrophobicContact CD1-CD1 4.01Å; L378-I453 HydrophobicContact CD2-CB 4.04Å; L378-I453 HydrophobicContact CD2-CD1 4.32Å; L378-I453 HydrophobicContact CD2-CG2 3.88Å; L378-I453 HydrophobicContact CG-CD1 4.34Å; W383-I453 HydrophobicContact CH2-CG2 4.49Å; L417-I453 HydrophobicContact CD1-CD1 3.39Å; L417-I453 HydrophobicContact CD1-CG1 4.14Å; L417-I453 HydrophobicContact CD1-CG2 4.36Å; I432-I453 HydrophobicContact CD1-CG2 4.11Å; F439-I453 HydrophobicContact CB-CG1 4.27Å; F439-I453 HydrophobicContact CD1-CD1 3.96Å; F439-I453 HydrophobicContact CD1-CG1 3.43Å; F439-I453 VanDerWaalsContact CD1-CG1 3.43Å; F439-I453 HydrophobicContact CD2-CG1 3.78Å; F439-I453 HydrophobicContact CE1-CD1 3.53Å; F439-I453 HydrophobicContact CE1-CG1 3.54Å; F439-I453 HydrophobicContact CE2-CD1 4.2Å; F439-I453 HydrophobicContact CE2-CG1 3.89Å; F439-I453 HydrophobicContact CG-CD1 4.45Å; F439-I453 HydrophobicContact CG-CG1 3.55Å; F439-I453 HydrophobicContact CZ-CD1 3.66Å; F439-I453 HydrophobicContact CZ-CG1 3.77Å; I453-L456 PolarHBondContact O-N 3.01Å; I453-I457 HydrophobicContact CG2-CG1 4.43Å; I453-I457 WeakPolarHBondContact O-CG1 3.4Å; I453-I457 PolarHBondContact O-N 3.3Å |
| 454 | V | 91.4 | Very high | 80.4 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -51.7 | 174.6 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | Q381 W383 S452 L456 I457 E458 | Q381-V454 HydrophobicContact CG-CG2 4.28Å; W383-V454 HydrophobicContact CZ2-CG2 4.34Å; S452-V454 PolarHBondContact O-N 3.3Å; S452-V454 PolarHBondContact OG-N 3.44Å; S452-V454 VanDerWaalsContact OG-N 3.16Å; V454-L456 VanDerWaalsContact C-N 3.29Å; V454-L456 PolarHBondContact O-N 2.73Å; V454-I457 PolarHBondContact O-N 2.98Å; V454-I457 VanDerWaalsContact O-N 3.11Å; V454-E458 HydrophobicContact CG1-CG 4.3Å; V454-E458 VanDerWaalsContact CG1-OE1 3.25Å; V454-E458 WeakPolarHBondContact CG1-OE1 3.42Å; V454-E458 WeakPolarHBondContact O-CG 3.25Å; V454-E458 PolarHBondContact O-N 3.11Å |
| 455 | D | 91 | Very high | 81.7 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 32% | 0.321 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -51.8 | -44.8 | 173.9 | -43.2 | -13.8 | 0 | 0 | 0 | 112.2 | H450 T451 S452 H459 | H450-D455 HydrophobicContact CB-CB 3.97Å; T451-D455 PolarHBondContact OG1-OD2 3.05Å; S452-D455 VanDerWaalsContact CB-CG 3.46Å; S452-D455 VanDerWaalsContact CB-OD1 3.31Å; S452-D455 WeakPolarHBondContact CB-OD1 3.08Å; S452-D455 WeakPolarHBondContact CB-OD2 3.29Å; S452-D455 PolarHBondContact N-OD2 2.85Å; S452-D455 WeakPolarHBondContact O-CB 3.47Å; S452-D455 PolarHBondContact O-N 2.76Å; D455-H459 WeakPolarHBondContact O-CB 3.42Å; D455-H459 PolarHBondContact O-N 3.28Å |
| 456 | L | 90.9 | Very high | 83.1 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 177.9 | 170.6 | 65.5 | 0 | 0 | 0 | 112 | I432 F439 F441 H450 S452 I453 V454 S460 | I432-L456 HydrophobicContact CG2-CD2 3.84Å; F439-L456 HydrophobicContact CB-CD2 4.07Å; F441-L456 HydrophobicContact CD1-CD2 4.49Å; F441-L456 HydrophobicContact CD2-CD1 3.88Å; F441-L456 HydrophobicContact CD2-CG 4.45Å; F441-L456 HydrophobicContact CE1-CD2 4.22Å; F441-L456 HydrophobicContact CE2-CD1 3.82Å; F441-L456 HydrophobicContact CE2-CD2 4.41Å; F441-L456 HydrophobicContact CE2-CG 4.01Å; F441-L456 HydrophobicContact CZ-CD1 4.38Å; F441-L456 HydrophobicContact CZ-CD2 4.19Å; F441-L456 HydrophobicContact CZ-CG 4.1Å; H450-L456 HydrophobicContact CB-CB 4.01Å; H450-L456 VanDerWaalsContact CD2-CD1 3.44Å; H450-L456 WeakPolarHBondContact CD2-CD1 3.25Å; S452-L456 PolarHBondContact O-N 2.87Å; I453-L456 PolarHBondContact O-N 3.01Å; V454-L456 VanDerWaalsContact C-N 3.29Å; V454-L456 PolarHBondContact O-N 2.73Å; L456-S460 VanDerWaalsContact O-CB 3.28Å; L456-S460 WeakPolarHBondContact O-CB 3.43Å; L456-S460 PolarHBondContact O-N 3.41Å; L456-S460 VanDerWaalsContact O-N 3.12Å; L456-S460 PolarHBondContact O-OG 3.5Å |
| 457 | I | 91.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.2 | -47.7 | 178.7 | -65 | -54.2 | 0 | 0 | 0 | 110.4 | W383 F405 V407 L419 F441 I453 V454 H459 S460 I461 | W383-I457 HydrophobicContact CH2-CB 4.42Å; W383-I457 HydrophobicContact CH2-CG1 3.92Å; W383-I457 HydrophobicContact CZ2-CB 4.32Å; W383-I457 HydrophobicContact CZ2-CG1 4.31Å; W383-I457 HydrophobicContact CZ2-CG2 4.33Å; W383-I457 HydrophobicContact CZ3-CG1 4.18Å; F405-I457 HydrophobicContact CE2-CG2 3.82Å; F405-I457 HydrophobicContact CZ-CG2 4.07Å; V407-I457 HydrophobicContact CG2-CD1 3.83Å; V407-I457 HydrophobicContact CG2-CG1 4.18Å; L419-I457 HydrophobicContact CD1-CD1 4.07Å; F441-I457 HydrophobicContact CZ-CD1 3.85Å; I453-I457 HydrophobicContact CG2-CG1 4.43Å; I453-I457 WeakPolarHBondContact O-CG1 3.4Å; I453-I457 PolarHBondContact O-N 3.3Å; V454-I457 PolarHBondContact O-N 2.98Å; V454-I457 VanDerWaalsContact O-N 3.11Å; I457-H459 PolarHBondContact O-N 3.16Å; I457-S460 PolarHBondContact O-N 3.49Å; I457-S460 VanDerWaalsContact O-N 3.16Å; I457-I461 HydrophobicContact CG2-CD1 3.94Å; I457-I461 HydrophobicContact CG2-CG1 4.41Å; I457-I461 VanDerWaalsContact O-CG1 3.31Å; I457-I461 WeakPolarHBondContact O-CG1 3.48Å; I457-I461 PolarHBondContact O-N 2.89Å |
| 458 | E | 90.7 | Very high | 85.3 | Confident | 95 Ų | 95 | 51.7 Ų | 51.7 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | -179.1 | -71.7 | -179.1 | -170 | 0 | 0 | 113 | V454 S460 I461 R462 | V454-E458 HydrophobicContact CG1-CG 4.3Å; V454-E458 VanDerWaalsContact CG1-OE1 3.25Å; V454-E458 WeakPolarHBondContact CG1-OE1 3.42Å; V454-E458 WeakPolarHBondContact O-CG 3.25Å; V454-E458 PolarHBondContact O-N 3.11Å; E458-S460 VanDerWaalsContact C-N 3.31Å; E458-S460 PolarHBondContact O-N 3.16Å; E458-I461 PolarHBondContact O-N 3.31Å; E458-R462 PolarHBondContact O-N 2.89Å; E458-R462 VanDerWaalsContact O-N 3.09Å |
| 459 | H | 88.8 | Confident | 86 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 36% | 0.361 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 172.9 | -167.5 | 93.5 | 0 | 0 | 0 | 111.1 | H450 D455 I457 I461 R462 D463 | H450-H459 AromaticContact CE1-CD2 3.79Å; H450-H459 AromaticContact CE1-CG 3.55Å; D455-H459 WeakPolarHBondContact O-CB 3.42Å; D455-H459 PolarHBondContact O-N 3.28Å; I457-H459 PolarHBondContact O-N 3.16Å; H459-I461 PolarHBondContact O-N 2.56Å; H459-R462 WeakPolarHBondContact O-CB 3.48Å; H459-R462 PolarHBondContact O-N 3.03Å; H459-R462 VanDerWaalsContact O-N 3.15Å; H459-D463 IonicContact CD2-OD1 3.52Å; H459-D463 IonicContact CD2-OD2 3.89Å; H459-D463 PolarHBondContact CD2-OD2 3.08Å; H459-D463 VanDerWaalsContact CD2-OD2 3.31Å; H459-D463 IonicContact NE2-OD1 3.98Å; H459-D463 IonicContact NE2-OD2 3.31Å; H459-D463 PolarHBondContact O-N 3.3Å |
| 460 | S | 88.4 | Confident | 86.1 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.1 | -25 | -179 | -57.4 | 0 | 0 | 0 | 0 | 113.8 | F441 L456 I457 E458 S464 Y471 | F441-S460 WeakPolarHBondContact CE2-OG 3.44Å; L456-S460 VanDerWaalsContact O-CB 3.28Å; L456-S460 WeakPolarHBondContact O-CB 3.43Å; L456-S460 PolarHBondContact O-N 3.41Å; L456-S460 VanDerWaalsContact O-N 3.12Å; L456-S460 PolarHBondContact O-OG 3.5Å; I457-S460 PolarHBondContact O-N 3.49Å; I457-S460 VanDerWaalsContact O-N 3.16Å; E458-S460 VanDerWaalsContact C-N 3.31Å; E458-S460 PolarHBondContact O-N 3.16Å; S460-S464 VanDerWaalsContact O-CB 3.25Å; S460-S464 WeakPolarHBondContact O-CB 3.45Å; S460-S464 PolarHBondContact O-N 2.78Å; S460-S464 VanDerWaalsContact O-N 3.15Å; S460-S464 PolarHBondContact O-OG 2.83Å; S460-Y471 PolarHBondContact O-OH 3.21Å |
| 461 | I | 89.8 | Confident | 85.9 | Confident | 40 Ų | 40 | 47.7 Ų | 47.7 | 21% | 0.205 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67 | -47.7 | 166.6 | -65.4 | 163.2 | 0 | 0 | 0 | 109.4 | F405 I457 E458 H459 S464 E465 L486 | F405-I461 HydrophobicContact CE1-CD1 4.4Å; F405-I461 HydrophobicContact CE1-CG1 4.17Å; F405-I461 HydrophobicContact CZ-CD1 3.87Å; F405-I461 HydrophobicContact CZ-CG1 4.01Å; I457-I461 HydrophobicContact CG2-CD1 3.94Å; I457-I461 HydrophobicContact CG2-CG1 4.41Å; I457-I461 VanDerWaalsContact O-CG1 3.31Å; I457-I461 WeakPolarHBondContact O-CG1 3.48Å; I457-I461 PolarHBondContact O-N 2.89Å; E458-I461 PolarHBondContact O-N 3.31Å; H459-I461 PolarHBondContact O-N 2.56Å; I461-S464 CarbonylContact O-C 3.47Å; I461-S464 VanDerWaalsContact O-CA 3.3Å; I461-S464 WeakPolarHBondContact O-CA 3.29Å; I461-S464 WeakPolarHBondContact O-CB 3.33Å; I461-S464 PolarHBondContact O-N 2.69Å; I461-E465 PolarHBondContact O-N 3.03Å; I461-L486 WeakPolarHBondContact CA-O 3.5Å; I461-L486 WeakPolarHBondContact CG1-O 3.09Å |
| 462 | R | 88.4 | Confident | 85.4 | Confident | 133 Ų | 133 | 46.4 Ų | 46.4 | 50% | 0.502 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 179.7 | -163.4 | -176.7 | -56.9 | 131.8 | 9.3 | 112.9 | E458 H459 S464 E465 N466 | E458-R462 PolarHBondContact O-N 2.89Å; E458-R462 VanDerWaalsContact O-N 3.09Å; H459-R462 WeakPolarHBondContact O-CB 3.48Å; H459-R462 PolarHBondContact O-N 3.03Å; H459-R462 VanDerWaalsContact O-N 3.15Å; R462-S464 PolarHBondContact O-N 2.64Å; R462-E465 VanDerWaalsContact O-CB 3.32Å; R462-E465 WeakPolarHBondContact O-CB 3.4Å; R462-E465 PolarHBondContact O-N 2.8Å; R462-N466 PolarHBondContact O-N 3.15Å |
| 463 | D | 85.1 | Confident | 84.3 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.9 | -41.5 | 169.1 | -74.2 | -20.3 | 0 | 0 | 0 | 110.9 | H459 E465 N466 G467 F469 | H459-D463 IonicContact CD2-OD1 3.52Å; H459-D463 IonicContact CD2-OD2 3.89Å; H459-D463 PolarHBondContact CD2-OD2 3.08Å; H459-D463 VanDerWaalsContact CD2-OD2 3.31Å; H459-D463 IonicContact NE2-OD1 3.98Å; H459-D463 IonicContact NE2-OD2 3.31Å; H459-D463 PolarHBondContact O-N 3.3Å; D463-E465 PolarHBondContact O-N 3.4Å; D463-N466 PolarHBondContact O-N 2.84Å; D463-N466 VanDerWaalsContact O-N 3.07Å; D463-G467 PolarHBondContact O-N 2.72Å; D463-F469 HydrophobicContact CB-CD1 4.43Å; D463-F469 HydrophobicContact CB-CD2 4.06Å; D463-F469 HydrophobicContact CB-CE1 4.18Å; D463-F469 HydrophobicContact CB-CE2 3.83Å; D463-F469 HydrophobicContact CB-CG 4.38Å; D463-F469 HydrophobicContact CB-CZ 3.88Å; D463-F469 WeakPolarHBondContact O-CE2 3.34Å |
| 464 | S | 86.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.7 | -14 | 177.1 | -64.3 | 0 | 0 | 0 | 0 | 114.1 | S460 I461 R462 G467 R485 L486 | S460-S464 VanDerWaalsContact O-CB 3.25Å; S460-S464 WeakPolarHBondContact O-CB 3.45Å; S460-S464 PolarHBondContact O-N 2.78Å; S460-S464 VanDerWaalsContact O-N 3.15Å; S460-S464 PolarHBondContact O-OG 2.83Å; I461-S464 CarbonylContact O-C 3.47Å; I461-S464 VanDerWaalsContact O-CA 3.3Å; I461-S464 WeakPolarHBondContact O-CA 3.29Å; I461-S464 WeakPolarHBondContact O-CB 3.33Å; I461-S464 PolarHBondContact O-N 2.69Å; R462-S464 PolarHBondContact O-N 2.64Å; S464-G467 CarbonylContact C-O 3.51Å; S464-G467 WeakPolarHBondContact CA-O 3.43Å; S464-G467 VanDerWaalsContact O-O 3.08Å; S464-R485 VanDerWaalsContact O-CZ 3.23Å; S464-R485 PolarHBondContact O-NE 3.46Å; S464-R485 PolarHBondContact O-NH2 3.14Å; S464-L486 PolarHBondContact OG-N 3.48Å |
| 465 | E | 82.9 | Confident | 81.5 | Confident | 121 Ų | 121 | 64.9 Ų | 64.9 | 57% | 0.565 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -73.8 | -47.3 | 165.5 | -63.8 | 167.6 | 166.4 | 0 | 0 | 109.5 | I461 R462 D463 G467 R485 | I461-E465 PolarHBondContact O-N 3.03Å; R462-E465 VanDerWaalsContact O-CB 3.32Å; R462-E465 WeakPolarHBondContact O-CB 3.4Å; R462-E465 PolarHBondContact O-N 2.8Å; D463-E465 PolarHBondContact O-N 3.4Å; E465-G467 PolarHBondContact O-N 3.23Å; E465-R485 PolarHBondContact O-NH2 3.12Å |
| 466 | N | 80.8 | Confident | 80.2 | Confident | 142 Ų | 142 | 67.9 Ų | 67.9 | 76% | 0.759 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -71.7 | -23.8 | -177.7 | -68.9 | -2.7 | 0 | 0 | 0 | 114.6 | R462 D463 | R462-N466 PolarHBondContact O-N 3.15Å; D463-N466 PolarHBondContact O-N 2.84Å; D463-N466 VanDerWaalsContact O-N 3.07Å |
| 467 | G | 78.6 | Confident | 78.8 | Confident | 26 Ų | 26 | 74 Ų | 74 | 27% | 0.268 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -169.5 | -165.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D463 S464 E465 | D463-G467 PolarHBondContact O-N 2.72Å; S464-G467 CarbonylContact C-O 3.51Å; S464-G467 WeakPolarHBondContact CA-O 3.43Å; S464-G467 VanDerWaalsContact O-O 3.08Å; E465-G467 PolarHBondContact O-N 3.23Å |
| 468 | A | 77.6 | Confident | 77.5 | Confident | 58 Ų | 58 | 78.3 Ų | 78.3 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | trans | -118 | 121.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | P483 V484 R485 | A468-P483 HydrophobicContact CB-CB 3.9Å; A468-V484 CarbonylContact C-O 3.51Å; A468-V484 WeakPolarHBondContact CA-O 3.24Å; A468-R485 HydrophobicContact CB-CG 3.87Å | ||
| 469 | F | 78.7 | Confident | 76.3 | Confident | 70 Ų | 70 | 75.8 Ų | 75.8 | 31% | 0.307 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -109.6 | 161.9 | -166.5 | -78.4 | -104 | 0 | 0 | 0 | 111.8 | D463 Y471 V484 | D463-F469 HydrophobicContact CB-CD1 4.43Å; D463-F469 HydrophobicContact CB-CD2 4.06Å; D463-F469 HydrophobicContact CB-CE1 4.18Å; D463-F469 HydrophobicContact CB-CE2 3.83Å; D463-F469 HydrophobicContact CB-CG 4.38Å; D463-F469 HydrophobicContact CB-CZ 3.88Å; D463-F469 WeakPolarHBondContact O-CE2 3.34Å; F469-Y471 HydrophobicContact CB-CD2 4.37Å; F469-Y471 HydrophobicContact CB-CE1 4.24Å; F469-Y471 HydrophobicContact CB-CE2 3.59Å; F469-Y471 WeakPolarHBondContact CB-OH 3.45Å; F469-V484 PolarHBondContact N-O 2.83Å; F469-V484 WeakPolarHBondContact O-CG1 3.35Å; F469-V484 PolarHBondContact O-N 3Å |
| 470 | C | 77.9 | Confident | 74.9 | Confident | 49 Ų | 49 | 75.7 Ų | 75.7 | 33% | 0.331 | 43% | 0.429 | S | S | . | . | trans | -116.9 | 66.8 | -167.1 | -75.5 | 0 | 0 | 0 | 0 | 112.1 | T481 | C470-T481 HydrophobicContact CB-CG2 3.54Å; C470-T481 VanDerWaalsContact SG-CG2 3.59Å | ||
| 471 | Y | 80.1 | Confident | 74 | Confident | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.008 | 45% | 0.45 | C | S | . | . | trans | -68.9 | -35.3 | -178.5 | -53.7 | -70.5 | 0 | 0 | 0 | 112.9 | T430 F441 S460 F469 R473 V484 L486 | T430-Y471 VanDerWaalsContact CG2-O 3.27Å; T430-Y471 WeakPolarHBondContact CG2-O 3.41Å; T430-Y471 VanDerWaalsContact OG1-C 3.23Å; T430-Y471 PolarHBondContact OG1-O 3.25Å; T430-Y471 VanDerWaalsContact OG1-O 3.09Å; F441-Y471 HydrophobicContact CB-CD1 4.48Å; F441-Y471 AromaticContact CD2-CD1 3.44Å; F441-Y471 HydrophobicContact CD2-CD1 3.44Å; F441-Y471 VanDerWaalsContact CD2-CD1 3.44Å; F441-Y471 AromaticContact CD2-CE1 3.84Å; F441-Y471 HydrophobicContact CD2-CE1 3.84Å; F441-Y471 HydrophobicContact CD2-CG 4.37Å; F441-Y471 AromaticContact CE2-CD1 3.85Å; F441-Y471 HydrophobicContact CE2-CD1 3.85Å; F441-Y471 HydrophobicContact CE2-CE1 4.01Å; F441-Y471 HydrophobicContact CG-CD1 4.14Å; S460-Y471 PolarHBondContact O-OH 3.21Å; F469-Y471 HydrophobicContact CB-CD2 4.37Å; F469-Y471 HydrophobicContact CB-CE1 4.24Å; F469-Y471 HydrophobicContact CB-CE2 3.59Å; F469-Y471 WeakPolarHBondContact CB-OH 3.45Å; Y471-R473 PolarHBondContact O-N 2.94Å; Y471-R473 VanDerWaalsContact O-N 3.14Å; Y471-V484 HydrophobicContact CD2-CG1 3.65Å; Y471-V484 HydrophobicContact CE2-CG1 4.19Å; Y471-L486 HydrophobicContact CD2-CD1 3.94Å; Y471-L486 HydrophobicContact CD2-CD2 4.43Å; Y471-L486 HydrophobicContact CD2-CG 4.05Å; Y471-L486 HydrophobicContact CE2-CD1 3.64Å; Y471-L486 HydrophobicContact CE2-CG 3.69Å | ||
| 472 | S | 74.4 | Confident | 73 | Confident | 30 Ų | 30 | 80.9 Ų | 80.9 | 21% | 0.21 | 46% | 0.455 | C | S | . | . | trans | -83.2 | 91.9 | 177.4 | -169.7 | 0 | 0 | 0 | 0 | 111.6 | T430 | T430-S472 WeakPolarHBondContact OG1-CA 3.31Å; T430-S472 PolarHBondContact OG1-N 2.9Å | ||
| 473 | R | 67.1 | Low | 72.4 | Confident | 132 Ų | 132 | 77.3 Ų | 77.3 | 50% | 0.498 | 45% | 0.448 | S | S | . | . | trans | -91.9 | 117.4 | 171.1 | -62.8 | -172.4 | -173.2 | 174.4 | 8.2 | 111.1 | Y471 | Y471-R473 PolarHBondContact O-N 2.94Å; Y471-R473 VanDerWaalsContact O-N 3.14Å | ||
| 474 | S | 61.3 | Low | 72.3 | Confident | 71 Ų | 71 | 75.7 Ų | 75.7 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | trans | -71.7 | 146.9 | 164.7 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | L476 S479 | S474-L476 VanDerWaalsContact C-N 3.25Å; S474-L476 PolarHBondContact O-N 3.46Å; S474-L476 PolarHBondContact OG-N 2.87Å; S474-S479 VanDerWaalsContact CB-OG 3.24Å; S474-S479 WeakPolarHBondContact CB-OG 3.38Å; S474-S479 PolarHBondContact OG-OG 3.15Å | ||
| 475 | R | 61.7 | Low | 72.2 | Confident | 208 Ų | 208 | 81.3 Ų | 81.3 | 79% | 0.785 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -80.3 | 0.5 | 176.7 | -63.6 | -169.9 | 179.6 | -137.8 | -3.5 | 113.9 | ||
| 476 | L | 62.5 | Low | 72.5 | Confident | 124 Ų | 124 | 75.6 Ų | 75.6 | 65% | 0.649 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -97.3 | 124.7 | 173.2 | -96.5 | 68.6 | 0 | 0 | 0 | 111.1 | S474 S479 | S474-L476 VanDerWaalsContact C-N 3.25Å; S474-L476 PolarHBondContact O-N 3.46Å; S474-L476 PolarHBondContact OG-N 2.87Å; L476-S479 WeakPolarHBondContact CB-OG 3.25Å; L476-S479 WeakPolarHBondContact O-CB 3.48Å; L476-S479 PolarHBondContact O-N 3.3Å; L476-S479 PolarHBondContact O-OG 3.35Å |
| 477 | P | 62.6 | Low | 72.9 | Confident | 133 Ų | 133 | 71.4 Ų | 71.4 | 86% | 0.864 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 140.8 | 168.6 | -25.1 | 34.7 | 0 | 0 | 0 | 111.9 | S479 | P477-S479 VanDerWaalsContact C-N 3.26Å; P477-S479 PolarHBondContact O-N 3.07Å |
| 478 | G | 64 | Low | 73.5 | Confident | 90 Ų | 90 | 73.6 Ų | 73.6 | 93% | 0.928 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 5.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 479 | S | 66 | Low | 74.2 | Confident | 42 Ų | 42 | 73.9 Ų | 73.9 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | trans | -62.9 | 141 | 169.5 | -60.7 | 0 | 0 | 0 | 0 | 111 | S474 L476 P477 T481 | S474-S479 VanDerWaalsContact CB-OG 3.24Å; S474-S479 WeakPolarHBondContact CB-OG 3.38Å; S474-S479 PolarHBondContact OG-OG 3.15Å; L476-S479 WeakPolarHBondContact CB-OG 3.25Å; L476-S479 WeakPolarHBondContact O-CB 3.48Å; L476-S479 PolarHBondContact O-N 3.3Å; L476-S479 PolarHBondContact O-OG 3.35Å; P477-S479 VanDerWaalsContact C-N 3.26Å; P477-S479 PolarHBondContact O-N 3.07Å; S479-T481 PolarHBondContact O-N 2.71Å; S479-T481 VanDerWaalsContact O-N 3.08Å | ||
| 480 | A | 59.6 | Low | 74.9 | Confident | 75 Ų | 75 | 70.9 Ų | 70.9 | 62% | 0.62 | 40% | 0.404 | S | S | * | . | trans | -64.4 | 109.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y482 | A480-Y482 HydrophobicContact CB-CE2 4.41Å; A480-Y482 WeakPolarHBondContact O-CD2 3.37Å; A480-Y482 WeakPolarHBondContact O-CE2 3.22Å | ||
| 481 | T | 69 | Low | 75.5 | Confident | 78 Ų | 78 | 70.1 Ų | 70.1 | 48% | 0.479 | 40% | 0.4 | S | S | . | . | trans | -80.7 | 121.9 | 173 | -31.1 | 0 | 0 | 0 | 0 | 109.1 | C470 S479 P483 | C470-T481 HydrophobicContact CB-CG2 3.54Å; C470-T481 VanDerWaalsContact SG-CG2 3.59Å; S479-T481 PolarHBondContact O-N 2.71Å; S479-T481 VanDerWaalsContact O-N 3.08Å; T481-P483 WeakPolarHBondContact O-CD 3.36Å | ||
| 482 | Y | 68.2 | Low | 75.8 | Confident | 76 Ų | 76 | 73.1 Ų | 73.1 | 30% | 0.298 | 41% | 0.411 | S | S | . | . | trans | -90.1 | 114.8 | 178.1 | -64.9 | -86.9 | 0 | 0 | 0 | 109.4 | L428 A480 | L428-Y482 HydrophobicContact CD1-CD2 4.02Å; L428-Y482 HydrophobicContact CD1-CG 4.1Å; A480-Y482 HydrophobicContact CB-CE2 4.41Å; A480-Y482 WeakPolarHBondContact O-CD2 3.37Å; A480-Y482 WeakPolarHBondContact O-CE2 3.22Å | ||
| 483 | P | 77.1 | Confident | 76.2 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 37% | 0.37 | 43% | 0.428 | S | S | . | . | trans | -64.3 | 142.7 | 171.1 | 28.1 | -33.1 | 0 | 0 | 0 | 109.4 | S423 A468 T481 | S423-P483 PolarHBondContact OG-O 2.82Å; A468-P483 HydrophobicContact CB-CB 3.9Å; T481-P483 WeakPolarHBondContact O-CD 3.36Å | ||
| 484 | V | 81.3 | Confident | 76.6 | Confident | 6 Ų | 6 | 78.2 Ų | 78.2 | 4% | 0.036 | 44% | 0.437 | C | S | . | . | B | Isolated β-bridge | trans | -143.5 | 156.2 | 177.4 | 65 | 0 | 0 | 0 | 0 | 109.8 | F421 A468 F469 Y471 | F421-V484 HydrophobicContact CD2-CB 4.15Å; F421-V484 HydrophobicContact CD2-CG1 3.99Å; F421-V484 HydrophobicContact CD2-CG2 3.72Å; F421-V484 HydrophobicContact CE2-CB 3.91Å; F421-V484 HydrophobicContact CE2-CG1 3.54Å; F421-V484 HydrophobicContact CE2-CG2 4.02Å; F421-V484 HydrophobicContact CZ-CG1 3.9Å; A468-V484 CarbonylContact C-O 3.51Å; A468-V484 WeakPolarHBondContact CA-O 3.24Å; F469-V484 PolarHBondContact N-O 2.83Å; F469-V484 WeakPolarHBondContact O-CG1 3.35Å; F469-V484 PolarHBondContact O-N 3Å; Y471-V484 HydrophobicContact CD2-CG1 3.65Å; Y471-V484 HydrophobicContact CE2-CG1 4.19Å |
| 485 | R | 85.9 | Confident | 77 | Confident | 118 Ų | 118 | 79.5 Ų | 79.5 | 45% | 0.445 | 44% | 0.435 | S | S | . | . | trans | -118.8 | 118.9 | 171.3 | -53.9 | -178.7 | 69.4 | -169 | 1.6 | 106.8 | G403 S464 E465 A468 T487 | G403-R485 CarbonylContact C-O 3.38Å; G403-R485 WeakPolarHBondContact CA-O 3.41Å; S464-R485 VanDerWaalsContact O-CZ 3.23Å; S464-R485 PolarHBondContact O-NE 3.46Å; S464-R485 PolarHBondContact O-NH2 3.14Å; E465-R485 PolarHBondContact O-NH2 3.12Å; A468-R485 HydrophobicContact CB-CG 3.87Å; R485-T487 VanDerWaalsContact C-N 3.33Å; R485-T487 HydrophobicContact CB-CG2 3.82Å; R485-T487 PolarHBondContact O-N 3.4Å | ||
| 486 | L | 89.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 44% | 0.435 | C | S | . | . | trans | -78.7 | 83.3 | 175.5 | -60.1 | 179.1 | 0 | 0 | 0 | 108.9 | F405 L419 F421 I461 S464 Y471 | F405-L486 HydrophobicContact CB-CD2 3.91Å; F405-L486 HydrophobicContact CD1-CB 3.88Å; F405-L486 HydrophobicContact CD1-CD2 4.2Å; F405-L486 HydrophobicContact CE1-CB 4.06Å; F405-L486 HydrophobicContact CG-CB 4.49Å; F405-L486 HydrophobicContact CG-CD2 4.12Å; L419-L486 HydrophobicContact CD2-CD1 3.74Å; L419-L486 HydrophobicContact CD2-CD2 3.99Å; F421-L486 HydrophobicContact CB-CD2 3.89Å; F421-L486 HydrophobicContact CD1-CD2 4.32Å; F421-L486 HydrophobicContact CG-CD2 4.16Å; I461-L486 WeakPolarHBondContact CA-O 3.5Å; I461-L486 WeakPolarHBondContact CG1-O 3.09Å; S464-L486 PolarHBondContact OG-N 3.48Å; Y471-L486 HydrophobicContact CD2-CD1 3.94Å; Y471-L486 HydrophobicContact CD2-CD2 4.43Å; Y471-L486 HydrophobicContact CD2-CG 4.05Å; Y471-L486 HydrophobicContact CE2-CD1 3.64Å; Y471-L486 HydrophobicContact CE2-CG 3.69Å | ||
| 487 | T | 88.3 | Confident | 78.7 | Confident | 54 Ų | 54 | 74.6 Ų | 74.6 | 33% | 0.331 | 42% | 0.422 | S | S | . | . | trans | -102.1 | -38.4 | -173.6 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | G403 R485 P489 | G403-T487 PolarHBondContact O-N 3.36Å; G403-T487 PolarHBondContact O-OG1 3.15Å; R485-T487 VanDerWaalsContact C-N 3.33Å; R485-T487 HydrophobicContact CB-CG2 3.82Å; R485-T487 PolarHBondContact O-N 3.4Å; T487-P489 VanDerWaalsContact O-CD 3.25Å; T487-P489 WeakPolarHBondContact O-CD 3.38Å | ||
| 488 | N | 90.7 | Very high | 80 | Confident | 72 Ų | 72 | 71.6 Ų | 71.6 | 39% | 0.385 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 92 | -163 | -67.4 | -42 | 0 | 0 | 0 | 111.5 | G403 S404 F405 V490 | G403-N488 PolarHBondContact O-N 2.9Å; S404-N488 VanDerWaalsContact CA-O 3.25Å; S404-N488 WeakPolarHBondContact CA-O 3.43Å; S404-N488 WeakPolarHBondContact OG-CB 3.42Å; F405-N488 PolarHBondContact N-O 3.11Å; N488-V490 PolarHBondContact O-N 3.18Å; N488-V490 VanDerWaalsContact O-N 3.15Å |
| 489 | P | 93 | Very high | 81.2 | Confident | 64 Ų | 64 | 73.7 Ų | 73.7 | 42% | 0.416 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 111.1 | 177.3 | 24 | -32.2 | 0 | 0 | 0 | 111.6 | W383 F405 T487 S491 | W383-P489 HydrophobicContact CB-CB 3.94Å; W383-P489 HydrophobicContact CG-CB 4.37Å; F405-P489 HydrophobicContact CE1-CB 4.1Å; F405-P489 HydrophobicContact CE2-CB 4.23Å; F405-P489 HydrophobicContact CZ-CB 3.68Å; F405-P489 HydrophobicContact CZ-CG 4.44Å; T487-P489 VanDerWaalsContact O-CD 3.25Å; T487-P489 WeakPolarHBondContact O-CD 3.38Å; P489-S491 PolarHBondContact O-N 3.46Å; P489-S491 VanDerWaalsContact O-N 3.15Å |
| 490 | V | 92.8 | Very high | 82.4 | Confident | 8 Ų | 8 | 77.3 Ų | 77.3 | 5% | 0.048 | 41% | 0.406 | C | S | . | . | trans | -77.6 | 103.6 | -179.5 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | W385 L397 V400 F405 N488 M494 | W385-V490 HydrophobicContact CZ2-CG1 4.14Å; W385-V490 PolarHBondContact NE1-O 2.94Å; L397-V490 HydrophobicContact CD2-CG2 3.82Å; V400-V490 HydrophobicContact CG1-CG2 4.08Å; F405-V490 WeakPolarHBondContact O-CB 3.27Å; F405-V490 PolarHBondContact O-N 2.72Å; N488-V490 PolarHBondContact O-N 3.18Å; N488-V490 VanDerWaalsContact O-N 3.15Å; V490-M494 HydrophobicContact CG1-SD 4.13Å | ||
| 491 | S | 91.1 | Very high | 83.8 | Confident | 33 Ų | 33 | 75.6 Ų | 75.6 | 23% | 0.231 | 38% | 0.384 | C | S | . | . | trans | -73.2 | 131.1 | -175.1 | 178.3 | 0 | 0 | 0 | 0 | 112.7 | G382 W385 P489 F493 M494 | G382-S491 CarbonylContact O-C 3.53Å; G382-S491 WeakPolarHBondContact O-CA 3.43Å; W385-S491 WeakPolarHBondContact CZ2-O 3.14Å; P489-S491 PolarHBondContact O-N 3.46Å; P489-S491 VanDerWaalsContact O-N 3.15Å; S491-F493 PolarHBondContact O-N 2.81Å; S491-F493 VanDerWaalsContact O-N 3.09Å; S491-F493 WeakPolarHBondContact OG-CD2 3.36Å; S491-F493 PolarHBondContact OG-N 2.79Å; S491-M494 VanDerWaalsContact O-CB 3.3Å; S491-M494 WeakPolarHBondContact O-CB 3.37Å; S491-M494 VanDerWaalsContact O-CG 3.29Å; S491-M494 WeakPolarHBondContact O-CG 3.49Å; S491-M494 PolarHBondContact O-N 3.31Å | ||
| 492 | R | 86.6 | Confident | 84.6 | Confident | 64 Ų | 64 | 75.8 Ų | 75.8 | 24% | 0.242 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -55.9 | -22.9 | 170.7 | 76.1 | -163 | -168.5 | 176.5 | 0.4 | 113.6 | A379 Q381 G382 Y384 W385 M494 | A379-R492 VanDerWaalsContact O-CZ 3.29Å; A379-R492 PolarHBondContact O-NH1 2.67Å; A379-R492 PolarHBondContact O-NH2 2.67Å; Q381-R492 PolarHBondContact O-NH1 3.09Å; G382-R492 WeakPolarHBondContact O-CB 3.27Å; G382-R492 WeakPolarHBondContact O-CG 3.44Å; G382-R492 PolarHBondContact O-N 2.79Å; Y384-R492 WeakPolarHBondContact O-CD 3.5Å; Y384-R492 PolarHBondContact O-NH1 2.98Å; W385-R492 HydrophobicContact CD2-CB 3.95Å; W385-R492 HydrophobicContact CE3-CB 4.29Å; W385-R492 HydrophobicContact CG-CB 4.24Å; W385-R492 VanDerWaalsContact CZ2-CA 3.47Å; W385-R492 HydrophobicContact CZ2-CB 4.37Å; R492-M494 VanDerWaalsContact C-N 3.32Å |
| 493 | F | 81.8 | Confident | 85.6 | Confident | 129 Ų | 129 | 75.1 Ų | 75.1 | 57% | 0.566 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -79.6 | -11.9 | 179.1 | -55.6 | -63.7 | 0 | 0 | 0 | 113 | S491 Q495 | S491-F493 PolarHBondContact O-N 2.81Å; S491-F493 VanDerWaalsContact O-N 3.09Å; S491-F493 WeakPolarHBondContact OG-CD2 3.36Å; S491-F493 PolarHBondContact OG-N 2.79Å; F493-Q495 PolarHBondContact O-N 3.05Å; F493-Q495 VanDerWaalsContact O-N 3.13Å |
| 494 | M | 75.1 | Confident | 86.2 | Confident | 141 Ų | 141 | 72.8 Ų | 72.8 | 70% | 0.695 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -61.9 | -17.3 | 173.1 | -66.5 | 178.4 | 73.9 | 0 | 0 | 113.4 | V490 S491 R492 | V490-M494 HydrophobicContact CG1-SD 4.13Å; S491-M494 VanDerWaalsContact O-CB 3.3Å; S491-M494 WeakPolarHBondContact O-CB 3.37Å; S491-M494 VanDerWaalsContact O-CG 3.29Å; S491-M494 WeakPolarHBondContact O-CG 3.49Å; S491-M494 PolarHBondContact O-N 3.31Å; R492-M494 VanDerWaalsContact C-N 3.32Å |
| 495 | Q | 71.6 | Confident | 86.4 | Confident | 98 Ų | 98 | 76.7 Ų | 76.7 | 46% | 0.458 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -123.4 | 98.4 | 168.9 | -170.5 | 175.7 | 30.6 | 0 | 0 | 110.1 | F493 R497 | F493-Q495 PolarHBondContact O-N 3.05Å; F493-Q495 VanDerWaalsContact O-N 3.13Å; Q495-R497 PolarHBondContact O-N 3Å |
| 496 | V | 77.1 | Confident | 86.5 | Confident | 130 Ų | 130 | 74.8 Ų | 74.8 | 79% | 0.788 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 121.3 | 173.2 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 497 | R | 81.9 | Confident | 86.5 | Confident | 98 Ų | 98 | 77.2 Ų | 77.2 | 37% | 0.37 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 154.6 | 173.7 | -61.6 | -65.4 | -172.5 | 140.4 | 4.5 | 109.3 | Q495 Y501 L502 | Q495-R497 PolarHBondContact O-N 3Å; R497-Y501 HydrophobicContact CB-CD1 3.55Å; R497-Y501 HydrophobicContact CB-CE1 4.26Å; R497-Y501 HydrophobicContact CB-CG 4.09Å; R497-Y501 HydrophobicContact CG-CD1 3.79Å; R497-Y501 HydrophobicContact CG-CE1 3.99Å; R497-Y501 HydrophobicContact CG-CG 4.49Å; R497-L502 HydrophobicContact CB-CD2 4.37Å |
| 498 | S | 89 | Confident | 86.4 | Confident | 70 Ų | 70 | 77.7 Ų | 77.7 | 49% | 0.49 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -58 | 147.6 | 177.5 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | Q500 Y501 L502 | S498-Q500 PolarHBondContact O-N 3.09Å; S498-Q500 VanDerWaalsContact O-N 3.15Å; S498-Y501 WeakPolarHBondContact O-CA 3.42Å; S498-Y501 WeakPolarHBondContact O-CB 3.38Å; S498-Y501 PolarHBondContact O-N 3.36Å; S498-Y501 PolarHBondContact OG-N 2.76Å; S498-L502 PolarHBondContact O-N 3.24Å; S498-L502 VanDerWaalsContact O-N 3.11Å |
| 499 | L | 90.4 | Very high | 86 | Confident | 134 Ų | 134 | 80.2 Ų | 80.2 | 70% | 0.702 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -52.7 | -38.5 | 176.7 | -178.9 | 60.4 | 0 | 0 | 0 | 111.6 | Y501 L502 C503 | L499-Y501 VanDerWaalsContact C-N 3.33Å; L499-Y501 PolarHBondContact O-N 2.88Å; L499-L502 PolarHBondContact O-N 3.01Å; L499-L502 VanDerWaalsContact O-N 3.14Å; L499-C503 PolarHBondContact O-N 2.85Å; L499-C503 PolarHBondContact O-SG 2.99Å |
| 500 | Q | 91.1 | Very high | 85.7 | Confident | 118 Ų | 118 | 86.7 Ų | 86.7 | 55% | 0.551 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -56.3 | -41.6 | 174 | -166.8 | -165.9 | 0.2 | 0 | 0 | 113.2 | S498 R504 Y528 | S498-Q500 PolarHBondContact O-N 3.09Å; S498-Q500 VanDerWaalsContact O-N 3.15Å; Q500-R504 WeakPolarHBondContact O-CB 3.39Å; Q500-R504 PolarHBondContact O-N 2.83Å; Q500-Y528 HydrophobicContact CG-CD1 4.39Å; Q500-Y528 HydrophobicContact CG-CE1 3.65Å |
| 501 | Y | 87.6 | Confident | 85.5 | Confident | 40 Ų | 40 | 87.5 Ų | 87.5 | 16% | 0.157 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.9 | -41.1 | 175.6 | 177.6 | -87 | 0 | 0 | 0 | 111.4 | R497 S498 L499 R504 F505 Y534 | R497-Y501 HydrophobicContact CB-CD1 3.55Å; R497-Y501 HydrophobicContact CB-CE1 4.26Å; R497-Y501 HydrophobicContact CB-CG 4.09Å; R497-Y501 HydrophobicContact CG-CD1 3.79Å; R497-Y501 HydrophobicContact CG-CE1 3.99Å; R497-Y501 HydrophobicContact CG-CG 4.49Å; S498-Y501 WeakPolarHBondContact O-CA 3.42Å; S498-Y501 WeakPolarHBondContact O-CB 3.38Å; S498-Y501 PolarHBondContact O-N 3.36Å; S498-Y501 PolarHBondContact OG-N 2.76Å; L499-Y501 VanDerWaalsContact C-N 3.33Å; L499-Y501 PolarHBondContact O-N 2.88Å; Y501-R504 PolarHBondContact O-N 2.74Å; Y501-F505 PolarHBondContact O-N 2.82Å; Y501-Y534 PolarHBondContact OH-OH 3.35Å |
| 502 | L | 86.1 | Confident | 85.2 | Confident | 82 Ų | 82 | 93.9 Ų | 93.9 | 43% | 0.429 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 177.2 | -61.1 | 176.4 | 0 | 0 | 0 | 111.1 | R497 S498 L499 R504 F505 V506 | R497-L502 HydrophobicContact CB-CD2 4.37Å; S498-L502 PolarHBondContact O-N 3.24Å; S498-L502 VanDerWaalsContact O-N 3.11Å; L499-L502 PolarHBondContact O-N 3.01Å; L499-L502 VanDerWaalsContact O-N 3.14Å; L502-R504 PolarHBondContact O-N 2.7Å; L502-F505 WeakPolarHBondContact O-CB 3.47Å; L502-F505 PolarHBondContact O-N 3.31Å; L502-V506 WeakPolarHBondContact O-CG2 3.44Å; L502-V506 PolarHBondContact O-N 2.85Å |
| 503 | C | 90 | Very high | 85.2 | Confident | 61 Ų | 61 | 96.5 Ų | 96.5 | 41% | 0.412 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 172.9 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | L499 F505 V506 I507 | L499-C503 PolarHBondContact O-N 2.85Å; L499-C503 PolarHBondContact O-SG 2.99Å; C503-F505 VanDerWaalsContact C-N 3.34Å; C503-F505 PolarHBondContact O-N 2.78Å; C503-V506 PolarHBondContact O-N 2.93Å; C503-I507 WeakPolarHBondContact O-CB 3.07Å; C503-I507 WeakPolarHBondContact O-CD1 3.28Å; C503-I507 WeakPolarHBondContact O-CG1 3.21Å; C503-I507 PolarHBondContact O-N 3.38Å |
| 504 | R | 89.7 | Confident | 85.5 | Confident | 8 Ų | 8 | 94.9 Ų | 94.9 | 3% | 0.03 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 174.9 | 161.4 | 170.7 | 172.5 | -170.1 | 1.8 | 112.9 | Q500 Y501 L502 R508 Y528 L529 E531 H533 | Q500-R504 WeakPolarHBondContact O-CB 3.39Å; Q500-R504 PolarHBondContact O-N 2.83Å; Y501-R504 PolarHBondContact O-N 2.74Å; L502-R504 PolarHBondContact O-N 2.7Å; R504-R508 WeakPolarHBondContact O-CB 3.45Å; R504-R508 VanDerWaalsContact O-CG 3.32Å; R504-R508 WeakPolarHBondContact O-CG 3.21Å; R504-R508 PolarHBondContact O-N 2.95Å; R504-R508 VanDerWaalsContact O-N 3.13Å; R504-Y528 HydrophobicContact CB-CD1 4.25Å; R504-Y528 HydrophobicContact CB-CE1 3.66Å; R504-Y528 WeakPolarHBondContact CD-O 3.49Å; R504-Y528 HydrophobicContact CG-CE1 4.13Å; R504-Y528 PolarHBondContact NE-O 2.97Å; R504-Y528 PolarHBondContact NH1-O 3.29Å; R504-L529 HydrophobicContact CB-CD2 3.89Å; R504-L529 HydrophobicContact CG-CD2 4.01Å; R504-E531 IonicContact CZ-OE2 2.65Å; R504-E531 VanDerWaalsContact CZ-OE2 3.28Å; R504-E531 IonicContact NH1-OE2 2.94Å; R504-E531 PolarHBondContact NH1-OE2 3.07Å; R504-E531 PolarHBondContact NH2-O 3.45Å; R504-E531 IonicContact NH2-OE2 2.72Å; R504-E531 PolarHBondContact NH2-OE2 3.18Å; R504-H533 PolarHBondContact NH2-ND1 3.08Å |
| 505 | F | 85.1 | Confident | 86.2 | Confident | 89 Ų | 89 | 91.1 Ų | 91.1 | 39% | 0.39 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63 | -51.9 | 175.6 | 179 | -95.4 | 0 | 0 | 0 | 110.7 | Y501 L502 C503 I507 R508 Q509 | Y501-F505 PolarHBondContact O-N 2.82Å; L502-F505 WeakPolarHBondContact O-CB 3.47Å; L502-F505 PolarHBondContact O-N 3.31Å; C503-F505 VanDerWaalsContact C-N 3.34Å; C503-F505 PolarHBondContact O-N 2.78Å; F505-I507 PolarHBondContact O-N 3.34Å; F505-R508 PolarHBondContact O-N 2.88Å; F505-Q509 HydrophobicContact CD1-CG 4.44Å; F505-Q509 HydrophobicContact CE1-CG 4.09Å; F505-Q509 HydrophobicContact CZ-CG 4.33Å; F505-Q509 PolarHBondContact O-N 2.87Å |
| 506 | V | 87.8 | Confident | 87.1 | Confident | 77 Ų | 77 | 86.5 Ų | 86.5 | 47% | 0.467 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59 | -49.7 | 178.6 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | L502 C503 R508 Q509 Y510 | L502-V506 WeakPolarHBondContact O-CG2 3.44Å; L502-V506 PolarHBondContact O-N 2.85Å; C503-V506 PolarHBondContact O-N 2.93Å; V506-R508 PolarHBondContact O-N 3.39Å; V506-Q509 WeakPolarHBondContact O-CB 3.43Å; V506-Q509 PolarHBondContact O-N 3.36Å; V506-Y510 HydrophobicContact CG1-CD2 4.1Å; V506-Y510 HydrophobicContact CG1-CE2 4.08Å; V506-Y510 WeakPolarHBondContact O-CD2 3.3Å; V506-Y510 PolarHBondContact O-N 3.03Å |
| 507 | I | 89.8 | Confident | 87.6 | Confident | 51 Ų | 51 | 84.5 Ų | 84.5 | 26% | 0.262 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.5 | -37.4 | 179.4 | -68.5 | 163.8 | 0 | 0 | 0 | 111.4 | C503 F505 T511 L519 L529 | C503-I507 WeakPolarHBondContact O-CB 3.07Å; C503-I507 WeakPolarHBondContact O-CD1 3.28Å; C503-I507 WeakPolarHBondContact O-CG1 3.21Å; C503-I507 PolarHBondContact O-N 3.38Å; F505-I507 PolarHBondContact O-N 3.34Å; I507-T511 WeakPolarHBondContact O-CA 3.25Å; I507-T511 WeakPolarHBondContact O-CB 3.5Å; I507-T511 PolarHBondContact O-N 3.33Å; I507-T511 PolarHBondContact O-OG1 3.16Å; I507-T511 VanDerWaalsContact O-OG1 3.06Å; I507-L519 HydrophobicContact CG2-CD1 3.88Å; I507-L529 HydrophobicContact CB-CD2 3.97Å; I507-L529 HydrophobicContact CD1-CD1 4.41Å; I507-L529 HydrophobicContact CD1-CD2 4.16Å; I507-L529 HydrophobicContact CG2-CD1 3.95Å; I507-L529 HydrophobicContact CG2-CD2 3.81Å |
| 508 | R | 86.8 | Confident | 88.1 | Confident | 65 Ų | 65 | 87.8 Ų | 87.8 | 25% | 0.245 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -72.5 | -21.9 | 176.7 | -78.6 | 178.9 | 166.8 | -157.5 | -6.1 | 114.8 | R504 F505 V506 L529 Q530 E531 | R504-R508 WeakPolarHBondContact O-CB 3.45Å; R504-R508 VanDerWaalsContact O-CG 3.32Å; R504-R508 WeakPolarHBondContact O-CG 3.21Å; R504-R508 PolarHBondContact O-N 2.95Å; R504-R508 VanDerWaalsContact O-N 3.13Å; F505-R508 PolarHBondContact O-N 2.88Å; V506-R508 PolarHBondContact O-N 3.39Å; R508-L529 PolarHBondContact NE-O 3.11Å; R508-L529 PolarHBondContact NH2-O 3.14Å; R508-Q530 VanDerWaalsContact NH2-C 3.32Å; R508-Q530 PolarHBondContact NH2-O 3.23Å; R508-E531 PolarHBondContact NH2-O 3.08Å |
| 509 | Q | 82.2 | Confident | 88.2 | Confident | 124 Ų | 124 | 86.2 Ų | 86.2 | 58% | 0.579 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -72.9 | -41.6 | 173.1 | -64.2 | -61.6 | -25.3 | 0 | 0 | 111 | F505 V506 | F505-Q509 HydrophobicContact CD1-CG 4.44Å; F505-Q509 HydrophobicContact CE1-CG 4.09Å; F505-Q509 HydrophobicContact CZ-CG 4.33Å; F505-Q509 PolarHBondContact O-N 2.87Å; V506-Q509 WeakPolarHBondContact O-CB 3.43Å; V506-Q509 PolarHBondContact O-N 3.36Å |
| 510 | Y | 86.7 | Confident | 88.4 | Confident | 200 Ų | 200 | 86 Ų | 86 | 78% | 0.784 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -91.1 | -21.7 | -177.7 | -64.6 | -82.2 | 0 | 0 | 0 | 114.1 | V506 | V506-Y510 HydrophobicContact CG1-CD2 4.1Å; V506-Y510 HydrophobicContact CG1-CE2 4.08Å; V506-Y510 WeakPolarHBondContact O-CD2 3.3Å; V506-Y510 PolarHBondContact O-N 3.03Å |
| 511 | T | 87.8 | Confident | 88.5 | Confident | 26 Ų | 26 | 82.6 Ų | 82.6 | 16% | 0.16 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -115 | 117.5 | -177.7 | -45.7 | 0 | 0 | 0 | 0 | 111.7 | I507 L515 I516 L519 | I507-T511 WeakPolarHBondContact O-CA 3.25Å; I507-T511 WeakPolarHBondContact O-CB 3.5Å; I507-T511 PolarHBondContact O-N 3.33Å; I507-T511 PolarHBondContact O-OG1 3.16Å; I507-T511 VanDerWaalsContact O-OG1 3.06Å; T511-L515 HydrophobicContact CG2-CB 3.9Å; T511-I516 HydrophobicContact CG2-CG1 4.18Å; T511-L519 HydrophobicContact CG2-CD1 4.2Å; T511-L519 HydrophobicContact CG2-CD2 4.14Å; T511-L519 HydrophobicContact CG2-CG 4.29Å |
| 512 | R | 85.7 | Confident | 88.9 | Confident | 167 Ų | 167 | 84.7 Ų | 84.7 | 63% | 0.63 | 42% | 0.419 | S | S | * | . | trans | -58.4 | 146.4 | 170.8 | -63.1 | 173.4 | 51 | 101.7 | 11.5 | 111.6 | D514 L515 I516 | R512-D514 WeakPolarHBondContact CB-OD1 3.47Å; R512-D514 IonicContact CZ-OD1 3.51Å; R512-D514 IonicContact NE-OD1 3.74Å; R512-D514 PolarHBondContact NE-OD1 3.32Å; R512-D514 IonicContact NE-OD2 3.31Å; R512-D514 PolarHBondContact NE-OD2 2.97Å; R512-D514 IonicContact NH2-OD1 3.65Å; R512-D514 PolarHBondContact NH2-OD1 3.37Å; R512-D514 IonicContact NH2-OD2 3.51Å; R512-D514 PolarHBondContact O-N 2.89Å; R512-D514 VanDerWaalsContact O-N 3.17Å; R512-L515 HydrophobicContact CB-CD1 4.19Å; R512-L515 HydrophobicContact CB-CG 4.23Å; R512-L515 HydrophobicContact CG-CD1 4.48Å; R512-L515 WeakPolarHBondContact O-CA 3.31Å; R512-L515 PolarHBondContact O-N 3.42Å; R512-I516 PolarHBondContact O-N 3.4Å | ||
| 513 | I | 85.8 | Confident | 89.2 | Confident | 118 Ų | 118 | 86.2 Ų | 86.2 | 61% | 0.605 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -56.9 | -36.7 | -176.6 | -58.9 | 173.5 | 0 | 0 | 0 | 112.4 | L515 I516 | I513-L515 VanDerWaalsContact C-N 3.26Å; I513-L515 PolarHBondContact O-N 3.2Å; I513-I516 HydrophobicContact CB-CD1 4.5Å; I513-I516 HydrophobicContact CG2-CD1 4.5Å; I513-I516 PolarHBondContact O-N 3.36Å |
| 514 | D | 88.4 | Confident | 89.3 | Confident | 95 Ų | 95 | 92 Ų | 92 | 51% | 0.508 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -66.7 | -21 | 175.7 | 52.6 | -82.8 | 0 | 0 | 0 | 114.4 | R512 | R512-D514 WeakPolarHBondContact CB-OD1 3.47Å; R512-D514 IonicContact CZ-OD1 3.51Å; R512-D514 IonicContact NE-OD1 3.74Å; R512-D514 PolarHBondContact NE-OD1 3.32Å; R512-D514 IonicContact NE-OD2 3.31Å; R512-D514 PolarHBondContact NE-OD2 2.97Å; R512-D514 IonicContact NH2-OD1 3.65Å; R512-D514 PolarHBondContact NH2-OD1 3.37Å; R512-D514 IonicContact NH2-OD2 3.51Å; R512-D514 PolarHBondContact O-N 2.89Å; R512-D514 VanDerWaalsContact O-N 3.17Å |
| 515 | L | 90.2 | Very high | 89.5 | Confident | 63 Ų | 63 | 96.1 Ų | 96.1 | 33% | 0.33 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -96.8 | -12.8 | -179.4 | -59.4 | 177.9 | 0 | 0 | 0 | 113.6 | T511 R512 I513 Q517 K518 | T511-L515 HydrophobicContact CG2-CB 3.9Å; R512-L515 HydrophobicContact CB-CD1 4.19Å; R512-L515 HydrophobicContact CB-CG 4.23Å; R512-L515 HydrophobicContact CG-CD1 4.48Å; R512-L515 WeakPolarHBondContact O-CA 3.31Å; R512-L515 PolarHBondContact O-N 3.42Å; I513-L515 VanDerWaalsContact C-N 3.26Å; I513-L515 PolarHBondContact O-N 3.2Å; L515-Q517 PolarHBondContact O-N 3Å; L515-Q517 VanDerWaalsContact O-N 3.14Å; L515-K518 HydrophobicContact CD2-CD 4.01Å; L515-K518 WeakPolarHBondContact O-CB 3.32Å; L515-K518 PolarHBondContact O-N 3.27Å |
| 516 | I | 89.4 | Confident | 89.8 | Confident | 0 Ų | 0 | 93 Ų | 93 | 0% | 0 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -55 | -36.8 | -178.6 | -64.8 | 175.7 | 0 | 0 | 0 | 112 | T511 R512 I513 K518 L519 K526 L529 Q530 | T511-I516 HydrophobicContact CG2-CG1 4.18Å; R512-I516 PolarHBondContact O-N 3.4Å; I513-I516 HydrophobicContact CB-CD1 4.5Å; I513-I516 HydrophobicContact CG2-CD1 4.5Å; I513-I516 PolarHBondContact O-N 3.36Å; I516-K518 PolarHBondContact O-N 2.92Å; I516-L519 HydrophobicContact CG2-CD1 4.38Å; I516-L519 WeakPolarHBondContact O-CB 3.45Å; I516-L519 WeakPolarHBondContact O-CG 3.45Å; I516-L519 PolarHBondContact O-N 3.03Å; I516-K526 HydrophobicContact CG2-CB 4.48Å; I516-L529 HydrophobicContact CD1-CB 4.36Å; I516-L529 WeakPolarHBondContact CD1-O 3.01Å; I516-L529 HydrophobicContact CG2-CB 3.64Å; I516-L529 HydrophobicContact CG2-CD1 4.26Å; I516-Q530 HydrophobicContact CB-CG 4.18Å; I516-Q530 HydrophobicContact CD1-CG 4.18Å; I516-Q530 HydrophobicContact CG2-CG 3.84Å |
| 517 | Q | 89.3 | Confident | 89.9 | Confident | 88 Ų | 88 | 93.8 Ų | 93.8 | 41% | 0.411 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -67.7 | -19.9 | 178.3 | -71.6 | -66 | -14.6 | 0 | 0 | 113.8 | L515 K526 | L515-Q517 PolarHBondContact O-N 3Å; L515-Q517 VanDerWaalsContact O-N 3.14Å; Q517-K526 WeakPolarHBondContact O-CE 3.14Å; Q517-K526 PolarHBondContact O-NZ 3.03Å |
| 518 | K | 91.4 | Very high | 90 | Very high | 167 Ų | 167 | 93.7 Ų | 93.7 | 73% | 0.726 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -85 | -11.4 | 175.4 | -58.8 | -177 | -176.6 | 175.4 | 0 | 113.8 | L515 I516 | L515-K518 HydrophobicContact CD2-CD 4.01Å; L515-K518 WeakPolarHBondContact O-CB 3.32Å; L515-K518 PolarHBondContact O-N 3.27Å; I516-K518 PolarHBondContact O-N 2.92Å |
| 519 | L | 91.8 | Very high | 90.1 | Very high | 38 Ų | 38 | 90.9 Ų | 90.9 | 20% | 0.199 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -63.1 | 147.8 | 179.6 | -65.3 | 175.3 | 0 | 0 | 0 | 111.5 | I507 T511 I516 L521 K526 L529 | I507-L519 HydrophobicContact CG2-CD1 3.88Å; T511-L519 HydrophobicContact CG2-CD1 4.2Å; T511-L519 HydrophobicContact CG2-CD2 4.14Å; T511-L519 HydrophobicContact CG2-CG 4.29Å; I516-L519 HydrophobicContact CG2-CD1 4.38Å; I516-L519 WeakPolarHBondContact O-CB 3.45Å; I516-L519 WeakPolarHBondContact O-CG 3.45Å; I516-L519 PolarHBondContact O-N 3.03Å; L519-L521 HydrophobicContact CB-CB 4.46Å; L519-L521 HydrophobicContact CB-CD1 4Å; L519-L521 HydrophobicContact CB-CG 4.07Å; L519-L521 HydrophobicContact CD1-CD1 3.89Å; L519-L521 PolarHBondContact O-N 3.07Å; L519-K526 WeakPolarHBondContact O-CE 3.39Å; L519-K526 PolarHBondContact O-NZ 3.35Å; L519-L529 HydrophobicContact CD1-CD1 4Å |
| 520 | P | 93.9 | Very high | 90.4 | Very high | 130 Ų | 130 | 88.4 Ų | 88.4 | 84% | 0.844 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -78.4 | 56.2 | 176.5 | 34.6 | -36.9 | 0 | 0 | 0 | 111.4 | ||
| 521 | L | 93.4 | Very high | 90.4 | Very high | 46 Ų | 46 | 82.8 Ų | 82.8 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -124.8 | 148.8 | -174.8 | -65.3 | 176.3 | 0 | 0 | 0 | 111.7 | L519 M525 K526 L529 | L519-L521 HydrophobicContact CB-CB 4.46Å; L519-L521 HydrophobicContact CB-CD1 4Å; L519-L521 HydrophobicContact CB-CG 4.07Å; L519-L521 HydrophobicContact CD1-CD1 3.89Å; L519-L521 PolarHBondContact O-N 3.07Å; L521-M525 HydrophobicContact CB-CB 4.35Å; L521-M525 HydrophobicContact CD2-CE 4.37Å; L521-M525 HydrophobicContact CD2-SD 4.49Å; L521-K526 HydrophobicContact CB-CG 4.28Å; L521-K526 WeakPolarHBondContact O-CE 3.48Å; L521-L529 HydrophobicContact CD1-CD1 3.46Å; L521-L529 VanDerWaalsContact CD1-CD1 3.46Å |
| 522 | P | 95.6 | Very high | 89.3 | Confident | 84 Ų | 84 | 89.8 Ų | 89.8 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | trans | -58.6 | 148.3 | 172.4 | -23.1 | 33.4 | 0 | 0 | 0 | 112.5 | K524 M525 K526 | P522-K524 VanDerWaalsContact C-N 3.32Å; P522-K524 PolarHBondContact O-N 3.4Å; P522-M525 HydrophobicContact CG-SD 4.34Å; P522-M525 WeakPolarHBondContact O-CA 3.42Å; P522-M525 WeakPolarHBondContact O-CB 3.45Å; P522-M525 PolarHBondContact O-N 3.19Å; P522-K526 PolarHBondContact O-N 3.32Å; P522-K526 VanDerWaalsContact O-N 3.09Å | ||
| 523 | N | 92.3 | Very high | 87.8 | Confident | 114 Ų | 114 | 86.4 Ų | 86.4 | 61% | 0.61 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -53.8 | -44.7 | -176.7 | -65.5 | -2.1 | 0 | 0 | 0 | 112.7 | M525 K526 D527 | N523-M525 PolarHBondContact O-N 3.26Å; N523-M525 VanDerWaalsContact O-N 3.09Å; N523-K526 CarbonylContact O-C 3.53Å; N523-K526 WeakPolarHBondContact O-CA 3.27Å; N523-K526 WeakPolarHBondContact O-CB 3.2Å; N523-K526 PolarHBondContact O-N 3.22Å; N523-D527 PolarHBondContact O-N 3.41Å; N523-D527 VanDerWaalsContact O-OD2 3.07Å |
| 524 | K | 93.4 | Very high | 86 | Confident | 183 Ų | 183 | 87.5 Ų | 87.5 | 80% | 0.796 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -53.6 | -33.9 | 175.3 | -64 | -175.4 | 179.2 | -178.3 | 0 | 113.7 | P522 Y528 | P522-K524 VanDerWaalsContact C-N 3.32Å; P522-K524 PolarHBondContact O-N 3.4Å; K524-Y528 WeakPolarHBondContact O-CB 3.3Å; K524-Y528 PolarHBondContact O-N 2.97Å |
| 525 | M | 92 | Very high | 85.9 | Confident | 93 Ų | 93 | 87.1 Ų | 87.1 | 46% | 0.458 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -78.8 | -35 | 175.3 | -65.9 | -175.9 | 72.5 | 0 | 0 | 111.8 | L521 P522 N523 Y528 L529 | L521-M525 HydrophobicContact CB-CB 4.35Å; L521-M525 HydrophobicContact CD2-CE 4.37Å; L521-M525 HydrophobicContact CD2-SD 4.49Å; P522-M525 HydrophobicContact CG-SD 4.34Å; P522-M525 WeakPolarHBondContact O-CA 3.42Å; P522-M525 WeakPolarHBondContact O-CB 3.45Å; P522-M525 PolarHBondContact O-N 3.19Å; N523-M525 PolarHBondContact O-N 3.26Å; N523-M525 VanDerWaalsContact O-N 3.09Å; M525-Y528 PolarHBondContact O-N 3.04Å; M525-L529 VanDerWaalsContact O-CB 3.3Å; M525-L529 WeakPolarHBondContact O-CB 3.46Å; M525-L529 WeakPolarHBondContact O-CG 3.49Å; M525-L529 PolarHBondContact O-N 3.05Å |
| 526 | K | 91.9 | Very high | 85.7 | Confident | 24 Ų | 24 | 88.4 Ų | 88.4 | 10% | 0.104 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 171.6 | -67.2 | 175.7 | 169.9 | 176.2 | 0 | 111.5 | I516 Q517 L519 L521 P522 N523 L529 Q530 | I516-K526 HydrophobicContact CG2-CB 4.48Å; Q517-K526 WeakPolarHBondContact O-CE 3.14Å; Q517-K526 PolarHBondContact O-NZ 3.03Å; L519-K526 WeakPolarHBondContact O-CE 3.39Å; L519-K526 PolarHBondContact O-NZ 3.35Å; L521-K526 HydrophobicContact CB-CG 4.28Å; L521-K526 WeakPolarHBondContact O-CE 3.48Å; P522-K526 PolarHBondContact O-N 3.32Å; P522-K526 VanDerWaalsContact O-N 3.09Å; N523-K526 CarbonylContact O-C 3.53Å; N523-K526 WeakPolarHBondContact O-CA 3.27Å; N523-K526 WeakPolarHBondContact O-CB 3.2Å; N523-K526 PolarHBondContact O-N 3.22Å; K526-L529 CarbonylContact O-C 3.47Å; K526-L529 PolarHBondContact O-N 2.76Å; K526-L529 VanDerWaalsContact O-N 3.16Å; K526-Q530 WeakPolarHBondContact O-CB 3.3Å; K526-Q530 WeakPolarHBondContact O-CG 3.18Å; K526-Q530 PolarHBondContact O-N 3.5Å |
| 527 | D | 91.3 | Very high | 85.5 | Confident | 93 Ų | 93 | 93.3 Ų | 93.3 | 50% | 0.497 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 176.2 | -56.5 | -33.8 | 0 | 0 | 0 | 110.3 | N523 L529 Q530 E531 | N523-D527 PolarHBondContact O-N 3.41Å; N523-D527 VanDerWaalsContact O-OD2 3.07Å; D527-L529 VanDerWaalsContact C-N 3.35Å; D527-L529 PolarHBondContact O-N 2.87Å; D527-Q530 CarbonylContact O-C 3.56Å; D527-Q530 PolarHBondContact O-N 2.62Å; D527-Q530 VanDerWaalsContact O-N 3.11Å; D527-E531 WeakPolarHBondContact O-CB 3.45Å; D527-E531 PolarHBondContact O-N 3.26Å |
| 528 | Y | 90.9 | Very high | 85.3 | Confident | 50 Ų | 50 | 93.6 Ų | 93.6 | 20% | 0.196 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 172.4 | -178.6 | -106 | 0 | 0 | 0 | 112.7 | Q500 R504 K524 M525 Q530 | Q500-Y528 HydrophobicContact CG-CD1 4.39Å; Q500-Y528 HydrophobicContact CG-CE1 3.65Å; R504-Y528 HydrophobicContact CB-CD1 4.25Å; R504-Y528 HydrophobicContact CB-CE1 3.66Å; R504-Y528 WeakPolarHBondContact CD-O 3.49Å; R504-Y528 HydrophobicContact CG-CE1 4.13Å; R504-Y528 PolarHBondContact NE-O 2.97Å; R504-Y528 PolarHBondContact NH1-O 3.29Å; K524-Y528 WeakPolarHBondContact O-CB 3.3Å; K524-Y528 PolarHBondContact O-N 2.97Å; M525-Y528 PolarHBondContact O-N 3.04Å; Y528-Q530 VanDerWaalsContact C-N 3.3Å; Y528-Q530 PolarHBondContact O-N 2.76Å |
| 529 | L | 89.5 | Confident | 84.9 | Confident | 5 Ų | 5 | 89 Ų | 89 | 3% | 0.026 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -69.8 | -22.8 | 174.9 | -74.3 | 171.7 | 0 | 0 | 0 | 113.1 | R504 I507 R508 I516 L519 L521 M525 K526 D527 | R504-L529 HydrophobicContact CB-CD2 3.89Å; R504-L529 HydrophobicContact CG-CD2 4.01Å; I507-L529 HydrophobicContact CB-CD2 3.97Å; I507-L529 HydrophobicContact CD1-CD1 4.41Å; I507-L529 HydrophobicContact CD1-CD2 4.16Å; I507-L529 HydrophobicContact CG2-CD1 3.95Å; I507-L529 HydrophobicContact CG2-CD2 3.81Å; R508-L529 PolarHBondContact NE-O 3.11Å; R508-L529 PolarHBondContact NH2-O 3.14Å; I516-L529 HydrophobicContact CD1-CB 4.36Å; I516-L529 WeakPolarHBondContact CD1-O 3.01Å; I516-L529 HydrophobicContact CG2-CB 3.64Å; I516-L529 HydrophobicContact CG2-CD1 4.26Å; L519-L529 HydrophobicContact CD1-CD1 4Å; L521-L529 HydrophobicContact CD1-CD1 3.46Å; L521-L529 VanDerWaalsContact CD1-CD1 3.46Å; M525-L529 VanDerWaalsContact O-CB 3.3Å; M525-L529 WeakPolarHBondContact O-CB 3.46Å; M525-L529 WeakPolarHBondContact O-CG 3.49Å; M525-L529 PolarHBondContact O-N 3.05Å; K526-L529 CarbonylContact O-C 3.47Å; K526-L529 PolarHBondContact O-N 2.76Å; K526-L529 VanDerWaalsContact O-N 3.16Å; D527-L529 VanDerWaalsContact C-N 3.35Å; D527-L529 PolarHBondContact O-N 2.87Å |
| 530 | Q | 87.6 | Confident | 84.4 | Confident | 72 Ų | 72 | 92.4 Ų | 92.4 | 34% | 0.336 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -94.5 | -20.9 | 175.5 | -71.2 | -164.6 | -43.9 | 0 | 0 | 113.8 | R508 I516 K526 D527 Y528 K532 | R508-Q530 VanDerWaalsContact NH2-C 3.32Å; R508-Q530 PolarHBondContact NH2-O 3.23Å; I516-Q530 HydrophobicContact CB-CG 4.18Å; I516-Q530 HydrophobicContact CD1-CG 4.18Å; I516-Q530 HydrophobicContact CG2-CG 3.84Å; K526-Q530 WeakPolarHBondContact O-CB 3.3Å; K526-Q530 WeakPolarHBondContact O-CG 3.18Å; K526-Q530 PolarHBondContact O-N 3.5Å; D527-Q530 CarbonylContact O-C 3.56Å; D527-Q530 PolarHBondContact O-N 2.62Å; D527-Q530 VanDerWaalsContact O-N 3.11Å; Y528-Q530 VanDerWaalsContact C-N 3.3Å; Y528-Q530 PolarHBondContact O-N 2.76Å; Q530-K532 PolarHBondContact O-N 3.37Å |
| 531 | E | 86.2 | Confident | 83.7 | Confident | 83 Ų | 83 | 89.7 Ų | 89.7 | 39% | 0.388 | 43% | 0.425 | S | S | . | . | trans | -51.7 | 133.3 | -176.9 | 178.2 | -166.1 | -141.2 | 0 | 0 | 113.2 | R504 R508 D527 H533 | R504-E531 IonicContact CZ-OE2 2.65Å; R504-E531 VanDerWaalsContact CZ-OE2 3.28Å; R504-E531 IonicContact NH1-OE2 2.94Å; R504-E531 PolarHBondContact NH1-OE2 3.07Å; R504-E531 PolarHBondContact NH2-O 3.45Å; R504-E531 IonicContact NH2-OE2 2.72Å; R504-E531 PolarHBondContact NH2-OE2 3.18Å; R508-E531 PolarHBondContact NH2-O 3.08Å; D527-E531 WeakPolarHBondContact O-CB 3.45Å; D527-E531 PolarHBondContact O-N 3.26Å; E531-H533 PolarHBondContact O-N 2.61Å; E531-H533 VanDerWaalsContact O-N 3.11Å; E531-H533 IonicContact OE1-CE1 3.15Å; E531-H533 IonicContact OE1-ND1 2.75Å; E531-H533 IonicContact OE2-CE1 3.34Å; E531-H533 PolarHBondContact OE2-CE1 3.23Å; E531-H533 IonicContact OE2-ND1 2.75Å; E531-H533 PolarHBondContact OE2-ND1 2.76Å; E531-H533 IonicContact OE2-NE2 2.73Å | ||
| 532 | K | 65.3 | Low | 83 | Confident | 172 Ų | 172 | 93.1 Ų | 93.1 | 75% | 0.748 | 44% | 0.439 | S | S | * | . | trans | -78.6 | 92.1 | 174.1 | -68.6 | -156.6 | 167.7 | -152.6 | 0 | 111.3 | Q530 Y534 | Q530-K532 PolarHBondContact O-N 3.37Å; K532-Y534 WeakPolarHBondContact CA-O 3.42Å; K532-Y534 VanDerWaalsContact CB-O 3.25Å; K532-Y534 WeakPolarHBondContact CB-O 3.43Å; K532-Y534 VanDerWaalsContact CG-O 3.25Å; K532-Y534 WeakPolarHBondContact CG-O 3.42Å | ||
| 533 | H | 54.2 | Low | 81.9 | Confident | 96 Ų | 96 | 93.8 Ų | 93.8 | 44% | 0.444 | 43% | 0.43 | S | S | . | . | trans | -79.2 | -12.6 | 148.1 | -72.7 | 12 | 0 | 0 | 0 | 111.3 | R504 E531 | R504-H533 PolarHBondContact NH2-ND1 3.08Å; E531-H533 PolarHBondContact O-N 2.61Å; E531-H533 VanDerWaalsContact O-N 3.11Å; E531-H533 IonicContact OE1-CE1 3.15Å; E531-H533 IonicContact OE1-ND1 2.75Å; E531-H533 IonicContact OE2-CE1 3.34Å; E531-H533 PolarHBondContact OE2-CE1 3.23Å; E531-H533 IonicContact OE2-ND1 2.75Å; E531-H533 PolarHBondContact OE2-ND1 2.76Å; E531-H533 IonicContact OE2-NE2 2.73Å | ||
| 534 | Y | 48.6 | Very low | 81 | Confident | 141 Ų | 141 | 92 Ų | 92 | 55% | 0.553 | 41% | 0.413 | S | S | * | . | trans | -137.9 | 0 | 169.7 | -42.1 | -53.3 | 0 | 0 | 0 | 107.4 | P387 Y501 K532 | P387-Y534 HydrophobicContact CB-CD1 3.57Å; P387-Y534 HydrophobicContact CB-CE1 3.76Å; P387-Y534 HydrophobicContact CB-CG 4.33Å; P387-Y534 HydrophobicContact CG-CD1 3.56Å; P387-Y534 HydrophobicContact CG-CD2 4.35Å; P387-Y534 HydrophobicContact CG-CE1 3.57Å; P387-Y534 HydrophobicContact CG-CE2 4.36Å; P387-Y534 HydrophobicContact CG-CG 3.98Å; Y501-Y534 PolarHBondContact OH-OH 3.35Å; K532-Y534 WeakPolarHBondContact CA-O 3.42Å; K532-Y534 VanDerWaalsContact CB-O 3.25Å; K532-Y534 WeakPolarHBondContact CB-O 3.43Å; K532-Y534 VanDerWaalsContact CG-O 3.25Å; K532-Y534 WeakPolarHBondContact CG-O 3.42Å |
Retrieved 534 of 534 residues in 304.2 ms
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