| 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 | 44.6 | Very low | 46.9 | Very low | 241 Ų | 241 | 165.5 Ų | 165.5 | 100% | 1.187 | 86% | 0.859 | S | S | * | * | 0 | 133.1 | 0 | -66.6 | 163.3 | 76.8 | 0 | 0 | 106.3 | |||||
| 2 | I | 46 | Very low | 46.4 | Very low | 162 Ų | 162 | 168.4 Ų | 168.4 | 83% | 0.831 | 86% | 0.86 | S | S | * | * | trans | -140.2 | 117.2 | -156.9 | -60.9 | 175.5 | 0 | 0 | 0 | 109.9 | ||||
| 3 | D | 49.2 | Very low | 46.1 | Very low | 153 Ų | 153 | 174.2 Ų | 174.2 | 82% | 0.818 | 86% | 0.864 | S | S | * | * | trans | -85.2 | 156.4 | 144 | -75.5 | -56 | 0 | 0 | 0 | 107.4 | ||||
| 4 | P | 58.3 | Low | 45.8 | Very low | 104 Ų | 104 | 176.6 Ų | 176.6 | 68% | 0.675 | 87% | 0.868 | S | S | * | * | cis | -153.3 | -169.6 | 38.8 | 43.8 | -21.9 | 0 | 0 | 0 | 117.8 | ||||
| 5 | E | 46 | Very low | 45.2 | Very low | 175 Ų | 175 | 172.5 Ų | 172.5 | 82% | 0.818 | 86% | 0.863 | S | S | * | * | trans | 65.6 | 132.4 | 144.9 | -84.8 | -158.5 | 117.3 | 0 | 0 | 124.1 | ||||
| 6 | S | 43.5 | Very low | 45.3 | Very low | 110 Ų | 110 | 173.3 Ų | 173.3 | 77% | 0.769 | 86% | 0.863 | S | S | * | * | trans | 78.7 | 127.9 | 145.6 | 83.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 7 | V | 48.4 | Very low | 44.9 | Very low | 139 Ų | 139 | 172.2 Ų | 172.2 | 84% | 0.842 | 86% | 0.861 | S | S | * | * | -162.9 | 140.4 | 119.6 | 138.7 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 8 | K | 44.8 | Very low | 45.2 | Very low | 195 Ų | 195 | 170.4 Ų | 170.4 | 85% | 0.848 | 85% | 0.853 | S | S | * | * | trans | -87.1 | 151.4 | 178.9 | -56.7 | 157.7 | -175.3 | 166.2 | 0 | 109.6 | ||||
| 9 | L | 46.2 | Very low | 44.9 | Very low | 173 Ų | 173 | 168.3 Ų | 168.3 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | trans | -162.5 | 138.3 | 146 | -111.8 | 166.5 | 0 | 0 | 0 | 114 | ||||
| 10 | N | 40.8 | Very low | 44.8 | Very low | 152 Ų | 152 | 172.1 Ų | 172.1 | 81% | 0.813 | 84% | 0.844 | S | S | * | * | trans | -86.1 | 154 | 178.5 | -80.3 | -64.9 | 0 | 0 | 0 | 112.5 | ||||
| 11 | K | 47.9 | Very low | 44.5 | Very low | 216 Ų | 216 | 170.9 Ų | 170.9 | 94% | 0.939 | 83% | 0.834 | S | S | * | * | trans | -145.9 | 107.7 | 156.8 | -111.8 | 164 | -173 | 168.5 | 0 | 112.8 | ||||
| 12 | K | 41 | Very low | 44.3 | Very low | 201 Ų | 201 | 166.1 Ų | 166.1 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -84.9 | 130.8 | 170.4 | -72.9 | 177 | 175.1 | 174.7 | 0 | 111 | ||||
| 13 | R | 42.1 | Very low | 44.2 | Very low | 243 Ų | 243 | 168 Ų | 168 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | -142.8 | 102.4 | 150.5 | -69.9 | -169.9 | 171.5 | -179.8 | -5.2 | 106.9 | ||||
| 14 | K | 41.9 | Very low | 43.6 | Very low | 209 Ų | 209 | 170.7 Ų | 170.7 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | 54.5 | 116.5 | 85.4 | -85.7 | -164.5 | 171.7 | -174.2 | 0 | 113.3 | |||||
| 15 | S | 37 | Very low | 42.8 | Very low | 115 Ų | 115 | 174 Ų | 174 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -78.9 | 160.7 | 179.1 | 32.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 16 | H | 46.4 | Very low | 42.5 | Very low | 185 Ų | 185 | 173 Ų | 173 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | -128.3 | 142.6 | 163.4 | -91.5 | 24.5 | 0 | 0 | 0 | 109.5 | ||||
| 17 | N | 39.6 | Very low | 42.3 | Very low | 155 Ų | 155 | 170.2 Ų | 170.2 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | -119.8 | 134.8 | 178.8 | -174.7 | 17.7 | 0 | 0 | 0 | 107.5 | ||||
| 18 | I | 49.8 | Very low | 42.1 | Very low | 139 Ų | 139 | 169.6 Ų | 169.6 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -133.6 | 101.8 | -177.3 | -59.2 | -178.7 | 0 | 0 | 0 | 108.9 | ||||
| 19 | E | 39.4 | Very low | 42 | Very low | 130 Ų | 130 | 167.6 Ų | 167.6 | 61% | 0.607 | 81% | 0.805 | S | S | * | * | trans | -64.4 | 142.3 | 157.9 | -73.9 | -170.5 | 111.8 | 0 | 0 | 109.7 | K21 | E19-K21 VanDerWaalsContact CD-NZ 3.25Å; E19-K21 WeakPolarHBondContact OE1-CE 3.36Å; E19-K21 IonicContact OE1-NZ 3.11Å; E19-K21 PolarHBondContact OE1-NZ 3.1Å; E19-K21 IonicContact OE2-NZ 2.76Å; E19-K21 PolarHBondContact OE2-NZ 3.42Å | ||
| 20 | R | 42.6 | Very low | 41.8 | Very low | 245 Ų | 245 | 167.9 Ų | 167.9 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -126.9 | 146 | 142.3 | -80 | -168.5 | 169.4 | 163.9 | -2.3 | 109.5 | ||||
| 21 | K | 39.8 | Very low | 42 | Very low | 147 Ų | 147 | 167.8 Ų | 167.8 | 64% | 0.639 | 80% | 0.801 | S | S | * | * | trans | -123.9 | 163.6 | -156.5 | -110 | 164.9 | 177.4 | 147 | 0 | 110.6 | E19 | E19-K21 VanDerWaalsContact CD-NZ 3.25Å; E19-K21 WeakPolarHBondContact OE1-CE 3.36Å; E19-K21 IonicContact OE1-NZ 3.11Å; E19-K21 PolarHBondContact OE1-NZ 3.1Å; E19-K21 IonicContact OE2-NZ 2.76Å; E19-K21 PolarHBondContact OE2-NZ 3.42Å | ||
| 22 | L | 39.6 | Very low | 41.9 | Very low | 140 Ų | 140 | 164.3 Ų | 164.3 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | 65.5 | 113.9 | 160.1 | -63.6 | 156.6 | 0 | 0 | 0 | 117.5 | ||||
| 23 | F | 42.9 | Very low | 42.3 | Very low | 201 Ų | 201 | 162.6 Ų | 162.6 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | -141 | 163.4 | 96.8 | -128.3 | -97 | 0 | 0 | 0 | 109.9 | |||||
| 24 | R | 37.6 | Very low | 42.4 | Very low | 211 Ų | 211 | 160.9 Ų | 160.9 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -135.7 | 176.8 | -174 | -96.6 | -168.5 | 173.1 | -156.6 | 0.8 | 110.6 | ||||
| 25 | Q | 41.9 | Very low | 42.3 | Very low | 174 Ų | 174 | 154.3 Ų | 154.3 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 77.8 | 135.8 | 170.1 | -46.2 | -178.3 | -75.9 | 0 | 0 | 115.3 | ||||
| 26 | D | 38.8 | Very low | 42.4 | Very low | 152 Ų | 152 | 154.6 Ų | 154.6 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | cis | -161.5 | 172.4 | -25.9 | -108.8 | -52.6 | 0 | 0 | 0 | 107.7 | ||||
| 27 | G | 40.2 | Very low | 41.9 | Very low | 52 Ų | 52 | 154.1 Ų | 154.1 | 54% | 0.536 | 78% | 0.784 | S | S | . | * | cis | -176.4 | -136.5 | 4.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 28 | T | 44.1 | Very low | 41.7 | Very low | 127 Ų | 127 | 151.5 Ų | 151.5 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | 11 | 123.4 | 156.9 | 54.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 29 | N | 42.8 | Very low | 41.4 | Very low | 152 Ų | 152 | 150 Ų | 150 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | cis | -153.4 | 156.4 | 19.1 | -79.3 | -32.8 | 0 | 0 | 0 | 111.9 | ||||
| 30 | E | 41 | Very low | 41.2 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -83.1 | 135.3 | 161.6 | -65.6 | -176.8 | 109.4 | 0 | 0 | 110.9 | ||||
| 31 | N | 45.1 | Very low | 41.3 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | 179.2 | 158 | 126.1 | -91.6 | -32.3 | 0 | 0 | 0 | 111.1 | |||||
| 32 | D | 46.3 | Very low | 41.2 | Very low | 143 Ų | 143 | 148.2 Ų | 148.2 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | 48.8 | 106.4 | 165.3 | -62.6 | -44.7 | 0 | 0 | 0 | 120 | ||||
| 33 | I | 49.8 | Very low | 41.5 | Very low | 165 Ų | 165 | 151.3 Ų | 151.3 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | -170.4 | 122.6 | 94.1 | -90.1 | 154.7 | 0 | 0 | 0 | 109.4 | |||||
| 34 | K | 44.6 | Very low | 41.2 | Very low | 208 Ų | 208 | 150.7 Ų | 150.7 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | trans | -79.4 | 145.1 | 171.6 | -72.4 | 171.6 | 178.9 | 166 | 0 | 110.9 | ||||
| 35 | G | 38.7 | Very low | 41.4 | Very low | 70 Ų | 70 | 151.8 Ų | 151.8 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 96.9 | 102.5 | 148.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 36 | S | 38.8 | Very low | 41.2 | Very low | 121 Ų | 121 | 151.2 Ų | 151.2 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | -179.1 | 95.1 | 111.1 | 39.7 | 0 | 0 | 0 | 0 | 112.8 | C38 | S36-C38 PolarHBondContact O-N 2.71Š| |||
| 37 | M | 36.6 | Very low | 41.3 | Very low | 176 Ų | 176 | 152.6 Ų | 152.6 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -76.7 | 101 | 161.9 | -80.7 | 170.2 | 50 | 0 | 0 | 109.9 | V39 | M37-V39 HydrophobicContact CE-CG2 4.36Å; M37-V39 PolarHBondContact O-N 3.19Å; M37-V39 VanDerWaalsContact O-N 3.17Å | ||
| 38 | C | 35 | Very low | 41.2 | Very low | 100 Ų | 100 | 160.6 Ų | 160.6 | 68% | 0.676 | 81% | 0.806 | S | S | * | * | trans | -88.3 | 79.4 | 178.3 | -159.3 | 0 | 0 | 0 | 0 | 112.3 | S36 H40 | S36-C38 PolarHBondContact O-N 2.71Å; C38-H40 PolarHBondContact O-N 3.31Å; C38-H40 VanDerWaalsContact O-N 3.09Å; C38-H40 PolarHBondContact O-ND1 3.48Å; C38-H40 PolarHBondContact SG-CE1 3.41Å | ||
| 39 | V | 42.8 | Very low | 40.7 | Very low | 106 Ų | 106 | 161.8 Ų | 161.8 | 64% | 0.642 | 81% | 0.808 | S | S | * | * | trans | -70.4 | 99.8 | -179.4 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | M37 S41 | M37-V39 HydrophobicContact CE-CG2 4.36Å; M37-V39 PolarHBondContact O-N 3.19Å; M37-V39 VanDerWaalsContact O-N 3.17Å; V39-S41 PolarHBondContact O-N 2.89Å | ||
| 40 | H | 36.8 | Very low | 40.6 | Very low | 171 Ų | 171 | 162.3 Ų | 162.3 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -79.4 | 64.2 | 177.7 | -78.1 | 70.5 | 0 | 0 | 0 | 112.6 | C38 | C38-H40 PolarHBondContact O-N 3.31Å; C38-H40 VanDerWaalsContact O-N 3.09Å; C38-H40 PolarHBondContact O-ND1 3.48Å; C38-H40 PolarHBondContact SG-CE1 3.41Å | ||
| 41 | S | 43.3 | Very low | 40.5 | Very low | 102 Ų | 102 | 159.2 Ų | 159.2 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | -80.5 | 139.6 | 171.2 | -91.9 | 0 | 0 | 0 | 0 | 112 | V39 K43 | V39-S41 PolarHBondContact O-N 2.89Å; S41-K43 PolarHBondContact O-N 3.15Å | ||
| 42 | K | 38.2 | Very low | 40.1 | Very low | 213 Ų | 213 | 157.2 Ų | 157.2 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | trans | -65.3 | 127 | -174 | -57.1 | 167.6 | -175.1 | 171.3 | 0 | 110.9 | ||||
| 43 | K | 45.6 | Very low | 40 | Very low | 205 Ų | 205 | 155 Ų | 155 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -128.1 | 108.3 | 165.3 | -152.2 | 158.4 | -171.2 | 170.8 | 0 | 111.9 | S41 | S41-K43 PolarHBondContact O-N 3.15Š| ||
| 44 | K | 38.1 | Very low | 39.7 | Very low | 187 Ų | 187 | 155.3 Ų | 155.3 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -65.2 | 131.9 | 175.9 | -162.7 | -178.9 | -175.9 | -172 | 0 | 108.5 | ||||
| 45 | R | 40.9 | Very low | 39.6 | Very low | 234 Ų | 234 | 150.8 Ų | 150.8 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -123.1 | 97.9 | -174.6 | -165.4 | 175.8 | -175.8 | -178.1 | 0.4 | 111.5 | ||||
| 46 | Q | 37.3 | Very low | 39.9 | Very low | 162 Ų | 162 | 155.1 Ų | 155.1 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | -97.4 | 123.8 | 160.8 | -76.4 | 164 | -94.7 | 0 | 0 | 108.5 | ||||
| 47 | K | 41.8 | Very low | 40 | Very low | 182 Ų | 182 | 155.1 Ų | 155.1 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -152.3 | 113.6 | 152.7 | -92.5 | -163.7 | 170.9 | -170.6 | 0 | 105.3 | ||||
| 48 | Y | 37.4 | Very low | 40.3 | Very low | 219 Ų | 219 | 152 Ų | 152 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | 70.5 | 108 | 83.2 | -84.7 | -73.7 | 0 | 0 | 0 | 111.5 | |||||
| 49 | N | 34.5 | Very low | 40.6 | Very low | 153 Ų | 153 | 155.4 Ų | 155.4 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -77.3 | 159.9 | 166.8 | -56.6 | -12.8 | 0 | 0 | 0 | 109.3 | ||||
| 50 | N | 40 | Very low | 40.7 | Very low | 163 Ų | 163 | 155.2 Ų | 155.2 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -165.1 | 147.6 | 155.4 | -110.6 | 6.9 | 0 | 0 | 0 | 109.7 | ||||
| 51 | S | 39.1 | Very low | 40.9 | Very low | 114 Ų | 114 | 154.7 Ų | 154.7 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 64.8 | 149.4 | 167.5 | -105.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 52 | T | 36.5 | Very low | 41 | Very low | 108 Ų | 108 | 156.5 Ų | 156.5 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | cis | -143.1 | 141.5 | -2.1 | -62.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 53 | A | 44.4 | Very low | 41.1 | Very low | 97 Ų | 97 | 153 Ų | 153 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -160.7 | 116.4 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 54 | E | 42.4 | Very low | 40.7 | Very low | 170 Ų | 170 | 150.8 Ų | 150.8 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -72.3 | 169.3 | 153.8 | -64.8 | 122.7 | -170.4 | 0 | 0 | 108.1 | ||||
| 55 | D | 44 | Very low | 41 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 61% | 0.61 | 76% | 0.758 | S | S | * | * | cis | -165.5 | 154.3 | 32.8 | -170.1 | 17.3 | 0 | 0 | 0 | 109.7 | ||||
| 56 | K | 44.2 | Very low | 40.8 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | trans | 38 | 131.9 | 164 | -69.6 | 156 | -168.1 | 94.1 | 0 | 119.9 | ||||
| 57 | T | 41.1 | Very low | 40.9 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | cis | -160.7 | -167.4 | 2.3 | 8.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 58 | T | 42.2 | Very low | 40.8 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | cis | -152.4 | -165.6 | 16.6 | -26.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 59 | E | 42.9 | Very low | 41 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | trans | -64.6 | 166.4 | 168.8 | -55.1 | 104.7 | -129.7 | 0 | 0 | 113.6 | ||||
| 60 | S | 43.8 | Very low | 41.4 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | cis | -144.6 | 147.8 | 13.8 | 57.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 61 | E | 41.1 | Very low | 41.4 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | 32.5 | 147.1 | 127.3 | -57.9 | -162.4 | 167.4 | 0 | 0 | 121.9 | |||||
| 62 | Q | 45.8 | Very low | 41.5 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | cis | -159.2 | 158.1 | 16.1 | -136.2 | 176.6 | 71 | 0 | 0 | 113.2 | ||||
| 63 | N | 39.5 | Very low | 41.6 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | 73.7 | 144.3 | 157.2 | -57.1 | -36 | 0 | 0 | 0 | 121.4 | ||||
| 64 | N | 38.1 | Very low | 41.6 | Very low | 159 Ų | 159 | 134 Ų | 134 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | trans | -154.3 | -163.2 | -168.5 | -143.9 | -4.2 | 0 | 0 | 0 | 109.6 | ||||
| 65 | P | 44.2 | Very low | 41.6 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | trans | -126.9 | 169.2 | -130.2 | 40.9 | -21.6 | 0 | 0 | 0 | 116.8 | ||||
| 66 | L | 37.2 | Very low | 41.4 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 93% | 0.927 | 73% | 0.732 | S | S | * | * | trans | -148.1 | 161.5 | 164.5 | -68.7 | 176.2 | 0 | 0 | 0 | 110.7 | ||||
| 67 | A | 39.1 | Very low | 41.2 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | cis | -174.5 | 139.9 | -41 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 68 | S | 39.7 | Very low | 41.1 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | 68.5 | 167.6 | 162.6 | 91.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 69 | N | 41.8 | Very low | 41.2 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | cis | -155.3 | 172.5 | 4.9 | -122.7 | -21.1 | 0 | 0 | 0 | 112.8 | ||||
| 70 | F | 42.1 | Very low | 41 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 75% | 0.746 | 74% | 0.735 | S | S | * | * | trans | -11.3 | 162.7 | 161 | -63.1 | -60.6 | 0 | 0 | 0 | 121.8 | ||||
| 71 | K | 41 | Very low | 40.9 | Very low | 166 Ų | 166 | 140 Ų | 140 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | cis | -163.2 | 153.6 | 3.8 | -110.2 | 168.1 | 178.4 | 178.6 | 0 | 106.8 | ||||
| 72 | V | 40.3 | Very low | 40.9 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | 57.8 | 125.2 | 70.6 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 73 | D | 39.9 | Very low | 40.5 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | cis | -162.8 | -178.1 | 9.7 | -132 | -29.4 | 0 | 0 | 0 | 108.7 | ||||
| 74 | S | 42.5 | Very low | 40.6 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 56% | 0.559 | 77% | 0.765 | S | S | * | * | cis | -166.6 | 169.6 | -5.9 | -141.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 75 | Q | 42.3 | Very low | 40.7 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | 67 | 154.9 | 147.6 | -78.1 | 179.1 | 51.2 | 0 | 0 | 124.9 | ||||
| 76 | S | 40 | Very low | 40.4 | Very low | 109 Ų | 109 | 141 Ų | 141 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | 80.5 | 149.3 | 162.8 | 73.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 77 | T | 40.2 | Very low | 40.6 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | cis | -170.5 | 140.1 | -37.5 | 31.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 78 | E | 40 | Very low | 41 | Very low | 184 Ų | 184 | 144 Ų | 144 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | 59.8 | 156.1 | 158.9 | -70.8 | -177 | 144.7 | 0 | 0 | 118 | ||||
| 79 | S | 42.9 | Very low | 41.1 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | cis | -152.3 | 170.1 | -7 | -113.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 80 | D | 38.8 | Very low | 41.2 | Very low | 144 Ų | 144 | 153.9 Ų | 153.9 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | 11.7 | 131.4 | 161.5 | -61.2 | -39 | 0 | 0 | 0 | 121.8 | ||||
| 81 | R | 42.3 | Very low | 41.4 | Very low | 252 Ų | 252 | 149.9 Ų | 149.9 | 95% | 0.951 | 79% | 0.789 | S | S | * | * | -171.1 | 155.1 | 107.9 | -100.2 | 158.7 | -169.3 | -148.3 | 0.6 | 114.9 | |||||
| 82 | L | 40.9 | Very low | 41.6 | Very low | 184 Ų | 184 | 152.9 Ų | 152.9 | 96% | 0.963 | 80% | 0.796 | S | S | * | * | trans | -79.4 | 148.7 | 175.3 | -65.2 | 158.9 | 0 | 0 | 0 | 111.4 | ||||
| 83 | G | 38.3 | Very low | 41.9 | Very low | 81 Ų | 81 | 154.1 Ų | 154.1 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 174 | 111.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 84 | S | 41.9 | Very low | 42.2 | Very low | 106 Ų | 106 | 156.2 Ų | 156.2 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -100.9 | 140 | 175.3 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 85 | N | 39 | Very low | 42.4 | Very low | 157 Ų | 157 | 160.5 Ų | 160.5 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | -178.8 | 168.3 | 128.1 | -105.1 | -65.7 | 0 | 0 | 0 | 116.2 | |||||
| 86 | K | 38.8 | Very low | 42.3 | Very low | 190 Ų | 190 | 157.8 Ų | 157.8 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -84.9 | 150 | -173.4 | -60.9 | 165.4 | 177.2 | 168.5 | 0 | 114.6 | ||||
| 87 | K | 41.6 | Very low | 42.6 | Very low | 208 Ų | 208 | 159.5 Ų | 159.5 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | trans | -167.4 | 133.5 | 139.3 | -96.7 | 144.2 | -176.9 | 175.8 | 0 | 107.5 | ||||
| 88 | S | 46.9 | Very low | 42.6 | Very low | 108 Ų | 108 | 162.7 Ų | 162.7 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | cis | 105.4 | 112.8 | 22.8 | -178.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 89 | R | 42.6 | Very low | 42.7 | Very low | 213 Ų | 213 | 165.6 Ų | 165.6 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -174.4 | 122.4 | 147.5 | -101.4 | 158.7 | -176.6 | -169.3 | -0.2 | 109.3 | ||||
| 90 | R | 43.2 | Very low | 42.5 | Very low | 227 Ų | 227 | 167.1 Ų | 167.1 | 86% | 0.857 | 83% | 0.833 | S | S | * | * | 74.9 | 141.5 | 99.4 | -75.3 | -170.8 | 180 | -179.3 | -3.3 | 113.9 | |||||
| 91 | A | 46.8 | Very low | 42.4 | Very low | 87 Ų | 87 | 165.2 Ų | 165.2 | 72% | 0.719 | 83% | 0.831 | S | S | * | * | cis | -148.6 | 141 | -0.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 92 | R | 44.7 | Very low | 42.3 | Very low | 228 Ų | 228 | 162.5 Ų | 162.5 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | 71.8 | 109.5 | 86.1 | -166.3 | -165.5 | -174.8 | 168.1 | 4.4 | 115.5 | |||||
| 93 | N | 45.8 | Very low | 42.4 | Very low | 151 Ų | 151 | 162.1 Ų | 162.1 | 81% | 0.807 | 82% | 0.822 | S | S | * | * | -164.1 | 163.5 | 119.7 | -96.4 | -13.9 | 0 | 0 | 0 | 111.8 | |||||
| 94 | K | 46.5 | Very low | 42.6 | Very low | 187 Ų | 187 | 164 Ų | 164 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -137.8 | 160.6 | -177.5 | -63.3 | -177.9 | 177.8 | -175.7 | 0 | 109.1 | ||||
| 95 | N | 46 | Very low | 42.2 | Very low | 170 Ų | 170 | 166.3 Ų | 166.3 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -156.4 | 164.2 | 134.3 | -102.4 | -15.7 | 0 | 0 | 0 | 111.2 | ||||
| 96 | V | 40.7 | Very low | 42.4 | Very low | 118 Ų | 118 | 164.7 Ų | 164.7 | 72% | 0.715 | 82% | 0.824 | S | S | * | * | trans | -147.7 | 137.8 | -161.2 | 172.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 97 | T | 46.9 | Very low | 42.6 | Very low | 146 Ų | 146 | 162.7 Ų | 162.7 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | trans | -137.6 | 157.8 | 159.1 | -35.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 98 | K | 41.2 | Very low | 42.6 | Very low | 184 Ų | 184 | 161.5 Ų | 161.5 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | trans | -114.8 | 156.1 | -163.7 | -47.5 | 166.3 | -177.9 | 174.6 | 0 | 112.2 | ||||
| 99 | R | 41.7 | Very low | 42 | Very low | 245 Ų | 245 | 160.9 Ų | 160.9 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | -174.9 | 165 | 118.7 | -100.2 | 168.3 | -177.3 | -174.4 | 0.7 | 112.4 | |||||
| 100 | P | 36.9 | Very low | 42 | Very low | 124 Ų | 124 | 155.2 Ų | 155.2 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | trans | -103.1 | -169.3 | -159.9 | 41.8 | -37.7 | 0 | 0 | 0 | 115.3 | ||||
| 101 | S | 37.3 | Very low | 41.4 | Very low | 103 Ų | 103 | 153.3 Ų | 153.3 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | -83.8 | 155.8 | -170 | 52.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 102 | E | 40.1 | Very low | 40.9 | Very low | 196 Ų | 196 | 155.8 Ų | 155.8 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -152.4 | 154.6 | 145.2 | -113 | 157.1 | -142.6 | 0 | 0 | 109.9 | ||||
| 103 | H | 43.2 | Very low | 40.3 | Very low | 176 Ų | 176 | 153 Ų | 153 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | trans | -104 | 161.3 | 178.6 | -85.6 | -91.2 | 0 | 0 | 0 | 110.5 | ||||
| 104 | P | 43.2 | Very low | 39.7 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | -140.9 | -179.5 | 100 | 38.8 | -25.3 | 0 | 0 | 0 | 114.1 | |||||
| 105 | D | 33.8 | Very low | 39 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -75.3 | 147.3 | -170.1 | -52.5 | -91.2 | 0 | 0 | 0 | 115.4 | ||||
| 106 | S | 43.2 | Very low | 38.4 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -149.3 | 134.6 | 152.3 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 107 | I | 42.6 | Very low | 38.1 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -96.7 | 110.8 | -168.3 | -61.9 | 165.1 | 0 | 0 | 0 | 109.6 | ||||
| 108 | M | 42 | Very low | 37.8 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -133.7 | 134.2 | 156.8 | -95.5 | -63.6 | 111.8 | 0 | 0 | 111.1 | ||||
| 109 | S | 34.2 | Very low | 38.1 | Very low | 95 Ų | 95 | 142.6 Ų | 142.6 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | -85.5 | 148.3 | -156.5 | -177.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 110 | S | 41.3 | Very low | 38.7 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | trans | 55.2 | 104.5 | 143.6 | 60 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 111 | K | 32.5 | Very low | 39.7 | Very low | 186 Ų | 186 | 131.6 Ų | 131.6 | 81% | 0.809 | 73% | 0.728 | S | S | * | * | 62.7 | 88 | 108.2 | -170.4 | -172.5 | -177.7 | 176.7 | 0 | 117.1 | |||||
| 112 | D | 35.9 | Very low | 41.5 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | trans | -127.5 | 81.7 | 160.6 | -125.2 | -40.9 | 0 | 0 | 0 | 111.9 | C114 | D112-C114 PolarHBondContact O-N 3.04Å; D112-C114 PolarHBondContact OD1-SG 2.94Å; D112-C114 VanDerWaalsContact OD1-SG 3.33Å | ||
| 113 | H | 31.6 | Very low | 43.7 | Very low | 169 Ų | 169 | 119.2 Ų | 119.2 | 78% | 0.782 | 66% | 0.66 | S | S | * | * | trans | -77.5 | 68.4 | 168.3 | -75.6 | -70.1 | 0 | 0 | 0 | 109.9 | S115 | H113-S115 PolarHBondContact O-N 2.56Š| ||
| 114 | C | 32.7 | Very low | 45.9 | Very low | 93 Ų | 93 | 110.9 Ų | 110.9 | 63% | 0.628 | 62% | 0.621 | S | S | * | * | trans | -74.6 | 47.5 | -178.2 | -105.1 | 0 | 0 | 0 | 0 | 114.2 | D112 V116 | D112-C114 PolarHBondContact O-N 3.04Å; D112-C114 PolarHBondContact OD1-SG 2.94Å; D112-C114 VanDerWaalsContact OD1-SG 3.33Å; C114-V116 PolarHBondContact O-N 2.65Å | ||
| 115 | S | 32.6 | Very low | 48.1 | Very low | 122 Ų | 122 | 107.5 Ų | 107.5 | 85% | 0.853 | 60% | 0.596 | S | S | * | * | trans | -74.4 | 45.6 | 163.2 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | H113 | H113-S115 PolarHBondContact O-N 2.56Š| ||
| 116 | V | 33.5 | Very low | 50.8 | Low | 87 Ų | 87 | 100.1 Ų | 100.1 | 53% | 0.527 | 56% | 0.557 | S | S | . | * | trans | -85.3 | 117.7 | -178.8 | -173.2 | 0 | 0 | 0 | 0 | 109.1 | C114 N118 | C114-V116 PolarHBondContact O-N 2.65Å; V116-N118 HydrophobicContact CG1-CB 4.2Å; V116-N118 PolarHBondContact O-N 2.74Å | ||
| 117 | N | 34.6 | Very low | 53.1 | Low | 138 Ų | 138 | 96.4 Ų | 96.4 | 74% | 0.738 | 53% | 0.529 | S | S | * | . | trans | -73.3 | 74 | 179 | -173.7 | 12.8 | 0 | 0 | 0 | 111.9 | ||||
| 118 | N | 39.3 | Very low | 55.3 | Low | 128 Ų | 128 | 93 Ų | 93 | 68% | 0.684 | 51% | 0.512 | S | S | * | . | trans | -104.8 | 23.8 | -169.7 | -104.9 | -8.4 | 0 | 0 | 0 | 114.6 | V116 N120 | V116-N118 HydrophobicContact CG1-CB 4.2Å; V116-N118 PolarHBondContact O-N 2.74Å; N118-N120 PolarHBondContact O-N 3.33Å | ||
| 119 | Q | 47.6 | Very low | 57.4 | Low | 169 Ų | 169 | 84.8 Ų | 84.8 | 79% | 0.79 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -69 | -2 | -175.7 | -62.3 | -168.8 | -3.6 | 0 | 0 | 115.6 | C121 | Q119-C121 PolarHBondContact O-N 3.27Š|
| 120 | N | 53.7 | Low | 59.8 | Low | 84 Ų | 84 | 81.1 Ų | 81.1 | 45% | 0.449 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -70.2 | -19 | -161.7 | -87.9 | -25.9 | 0 | 0 | 0 | 117.4 | N118 T192 | N118-N120 PolarHBondContact O-N 3.33Å; N120-T192 WeakPolarHBondContact O-CA 3.33Å |
| 121 | C | 58.3 | Low | 61.8 | Low | 54 Ų | 54 | 85.2 Ų | 85.2 | 37% | 0.365 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -124.1 | -1.6 | -159.7 | -62.6 | 0 | 0 | 0 | 0 | 116.7 | Q119 S123 Q190 | Q119-C121 PolarHBondContact O-N 3.27Å; C121-S123 VanDerWaalsContact C-N 3.33Å; C121-S123 PolarHBondContact O-N 2.8Å; C121-S123 VanDerWaalsContact O-N 3.1Å; C121-Q190 PolarHBondContact O-NE2 3.43Å |
| 122 | L | 76.2 | Confident | 64.2 | Low | 35 Ų | 35 | 79.7 Ų | 79.7 | 18% | 0.183 | 43% | 0.429 | C | S | . | . | trans | -88.6 | 56.5 | -173.9 | -60.8 | -177.3 | 0 | 0 | 0 | 113.7 | F163 N164 T165 V166 Y169 | L122-F163 HydrophobicContact CB-CB 4.35Å; L122-F163 WeakPolarHBondContact CB-O 3.2Å; L122-F163 PolarHBondContact O-N 2.98Å; L122-F163 VanDerWaalsContact O-N 3.14Å; L122-N164 WeakPolarHBondContact CD1-O 3.36Å; L122-T165 WeakPolarHBondContact CD2-O 3.33Å; L122-V166 HydrophobicContact CD2-CG2 4.12Å; L122-Y169 HydrophobicContact CD2-CG 4.47Å | ||
| 123 | S | 85.6 | Confident | 66.6 | Low | 5 Ų | 5 | 73 Ų | 73 | 4% | 0.035 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 148.4 | 172.5 | -62.2 | 0 | 0 | 0 | 0 | 112.7 | C121 A161 N162 V191 | C121-S123 VanDerWaalsContact C-N 3.33Å; C121-S123 PolarHBondContact O-N 2.8Å; C121-S123 VanDerWaalsContact O-N 3.1Å; S123-A161 CarbonylContact C-O 3.56Å; S123-A161 VanDerWaalsContact CA-O 3.24Å; S123-A161 WeakPolarHBondContact CA-O 3.48Å; S123-N162 VanDerWaalsContact OG-CG 3.28Å; S123-N162 PolarHBondContact OG-ND2 3.28Å; S123-N162 VanDerWaalsContact OG-ND2 3.08Å; S123-N162 PolarHBondContact OG-OD1 3.39Å; S123-V191 WeakPolarHBondContact CB-O 3.32Å; S123-V191 PolarHBondContact O-N 3.37Å |
| 124 | L | 89.2 | Confident | 69.2 | Low | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 129.6 | -171.4 | -159.6 | 83.3 | 0 | 0 | 0 | 110.3 | I126 F160 A161 F163 Y169 T173 L176 F188 | L124-I126 HydrophobicContact CD2-CG1 4.14Å; L124-F160 WeakPolarHBondContact O-CA 3.49Å; L124-A161 HydrophobicContact CB-CB 4.49Å; L124-A161 PolarHBondContact N-O 2.86Å; L124-A161 PolarHBondContact O-N 3.34Å; L124-F163 HydrophobicContact CB-CE2 3.83Å; L124-Y169 HydrophobicContact CB-CE2 4.49Å; L124-Y169 HydrophobicContact CD1-CE2 3.64Å; L124-T173 HydrophobicContact CD1-CG2 4.04Å; L124-T173 HydrophobicContact CD2-CG2 4.47Å; L124-L176 HydrophobicContact CD2-CD1 3.41Å; L124-L176 VanDerWaalsContact CD2-CD1 3.41Å; L124-F188 HydrophobicContact CD1-CD2 4Å; L124-F188 HydrophobicContact CD2-CB 3.88Å; L124-F188 HydrophobicContact CD2-CD2 4.19Å; L124-F188 HydrophobicContact CD2-CG 4.2Å; L124-F188 HydrophobicContact CG-CB 4.12Å; L124-F188 HydrophobicContact CG-CD2 4.45Å |
| 125 | L | 90.5 | Very high | 71.9 | Confident | 50 Ų | 50 | 69.8 Ų | 69.8 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 117.4 | 170 | 174.6 | 70 | 0 | 0 | 0 | 108.8 | T127 F151 L158 F160 F188 R189 V191 | L125-T127 HydrophobicContact CD2-CG2 4.2Å; L125-T127 HydrophobicContact CG-CG2 3.95Å; L125-F151 HydrophobicContact CD1-CE1 4.39Å; L125-F151 HydrophobicContact CD1-CZ 3.94Å; L125-L158 HydrophobicContact CD1-CD2 4.4Å; L125-F160 HydrophobicContact CB-CD2 4.36Å; L125-F160 HydrophobicContact CD1-CD2 4.37Å; L125-F188 CarbonylContact O-C 3.57Å; L125-F188 VanDerWaalsContact O-CA 3.29Å; L125-F188 WeakPolarHBondContact O-CA 3.46Å; L125-R189 PolarHBondContact N-O 3.18Å; L125-R189 PolarHBondContact O-N 2.93Å; L125-V191 HydrophobicContact CB-CG2 3.48Å; L125-V191 VanDerWaalsContact CB-CG2 3.48Å; L125-V191 HydrophobicContact CD2-CG2 4.43Å |
| 126 | I | 90.7 | Very high | 74.5 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.3 | 178.3 | -49.6 | 164.8 | 0 | 0 | 0 | 108.2 | L124 L129 L138 I142 L158 A159 L176 P186 F188 | L124-I126 HydrophobicContact CD2-CG1 4.14Å; I126-L129 HydrophobicContact CB-CD1 4.45Å; I126-L129 HydrophobicContact CG2-CD1 4.1Å; I126-L129 HydrophobicContact CG2-CD2 3.77Å; I126-L129 HydrophobicContact CG2-CG 4.02Å; I126-L138 HydrophobicContact CD1-CD1 4.5Å; I126-L138 HydrophobicContact CD1-CD2 4.49Å; I126-I142 HydrophobicContact CD1-CD1 3.37Å; I126-L158 WeakPolarHBondContact O-CA 3.2Å; I126-A159 HydrophobicContact CB-CB 4.27Å; I126-A159 HydrophobicContact CD1-CB 4.3Å; I126-A159 PolarHBondContact N-O 3.33Å; I126-A159 PolarHBondContact O-N 2.89Å; I126-L176 HydrophobicContact CD1-CD1 3.96Å; I126-L176 HydrophobicContact CD1-CD2 4.47Å; I126-L176 HydrophobicContact CG1-CD1 3.93Å; I126-L176 HydrophobicContact CG2-CD2 4.1Å; I126-P186 HydrophobicContact CG2-CB 4.13Å; I126-F188 HydrophobicContact CG1-CB 4.46Å |
| 127 | T | 90.3 | Very high | 77.1 | Confident | 43 Ų | 43 | 67.2 Ų | 67.2 | 26% | 0.264 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 175.6 | -176.2 | 85.6 | 0 | 0 | 0 | 0 | 110.6 | L125 L129 L158 S187 | L125-T127 HydrophobicContact CD2-CG2 4.2Å; L125-T127 HydrophobicContact CG-CG2 3.95Å; T127-L129 PolarHBondContact O-N 2.61Å; T127-L158 HydrophobicContact CG2-CD2 3.63Å; T127-S187 CarbonylContact C-O 3.59Å; T127-S187 VanDerWaalsContact CA-O 3.31Å; T127-S187 WeakPolarHBondContact CA-O 3.43Å; T127-S187 VanDerWaalsContact CB-O 3.3Å; T127-S187 WeakPolarHBondContact CB-O 3.27Å; T127-S187 PolarHBondContact N-O 2.92Å; T127-S187 PolarHBondContact O-N 3.36Å; T127-S187 PolarHBondContact OG1-O 2.8Å |
| 128 | N | 88.1 | Confident | 79.7 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 61.9 | 21.9 | -177.3 | -151.8 | 44.8 | 0 | 0 | 0 | 115 | P130 V184 K185 | N128-P130 WeakPolarHBondContact O-CD 3.46Å; N128-V184 WeakPolarHBondContact ND2-CG1 3.08Å; N128-K185 PolarHBondContact ND2-O 3.43Å |
| 129 | L | 88.1 | Confident | 82 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 127.9 | 178.7 | -63.8 | 170.1 | 0 | 0 | 0 | 111.1 | I126 T127 I133 L138 L150 R157 A159 F181 P186 | I126-L129 HydrophobicContact CB-CD1 4.45Å; I126-L129 HydrophobicContact CG2-CD1 4.1Å; I126-L129 HydrophobicContact CG2-CD2 3.77Å; I126-L129 HydrophobicContact CG2-CG 4.02Å; T127-L129 PolarHBondContact O-N 2.61Å; L129-I133 HydrophobicContact CB-CD1 4.1Å; L129-I133 HydrophobicContact CD2-CD1 3.76Å; L129-L138 HydrophobicContact CD1-CD2 3.86Å; L129-L138 HydrophobicContact CD2-CD1 4.18Å; L129-L150 HydrophobicContact CD1-CD1 4.13Å; L129-R157 HydrophobicContact CB-CB 4.27Å; L129-A159 HydrophobicContact CD1-CB 3.87Å; L129-F181 HydrophobicContact CD2-CE2 4.48Å; L129-P186 HydrophobicContact CD2-CB 4.06Å |
| 130 | P | 83.9 | Confident | 83.9 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | trans | -47 | 154.2 | 168.1 | -33.6 | 34.2 | 0 | 0 | 0 | 115.4 | N128 H132 I133 F181 V184 | N128-P130 WeakPolarHBondContact O-CD 3.46Å; P130-H132 VanDerWaalsContact C-N 3.25Å; P130-H132 WeakPolarHBondContact CB-CE1 3.22Å; P130-H132 PolarHBondContact O-N 2.89Å; P130-I133 HydrophobicContact CB-CD1 4.33Å; P130-I133 HydrophobicContact CB-CG1 4.26Å; P130-I133 HydrophobicContact CG-CD1 4.2Å; P130-I133 PolarHBondContact O-N 2.83Å; P130-F181 HydrophobicContact CG-CB 3.85Å; P130-F181 WeakPolarHBondContact CG-O 3.1Å; P130-V184 HydrophobicContact CG-CB 4.12Å; P130-V184 HydrophobicContact CG-CG2 4.47Å | ||
| 131 | K | 82.3 | Confident | 85.5 | Confident | 182 Ų | 182 | 53.4 Ų | 53.4 | 79% | 0.791 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -29.4 | -175.5 | -67.3 | 175.6 | -175.8 | 168.5 | 0 | 112.9 | R157 | K131-R157 WeakPolarHBondContact O-CD 3.2Å; K131-R157 PolarHBondContact O-NH1 3Å |
| 132 | H | 83.2 | Confident | 86.9 | Confident | 69 Ų | 69 | 50.9 Ų | 50.9 | 32% | 0.319 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -25.3 | -176.6 | 68.7 | -105.2 | 0 | 0 | 0 | 113.3 | P130 N134 R157 D182 | P130-H132 VanDerWaalsContact C-N 3.25Å; P130-H132 WeakPolarHBondContact CB-CE1 3.22Å; P130-H132 PolarHBondContact O-N 2.89Å; H132-N134 PolarHBondContact O-N 3.21Å; H132-N134 VanDerWaalsContact O-N 3.13Å; H132-N134 PolarHBondContact O-OD1 3.42Å; H132-R157 PolarHBondContact O-NH1 2.83Å; H132-D182 IonicContact CE1-OD1 3.38Å; H132-D182 PolarHBondContact CE1-OD1 2.94Å; H132-D182 IonicContact CE1-OD2 2.95Å; H132-D182 PolarHBondContact CE1-OD2 2.62Å; H132-D182 IonicContact ND1-OD2 2.95Å; H132-D182 PolarHBondContact ND1-OD2 3.04Å |
| 133 | I | 86.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -56.7 | 117.1 | -167.8 | -72.8 | -179.7 | 0 | 0 | 0 | 111.7 | L129 P130 L138 L150 R157 F181 | L129-I133 HydrophobicContact CB-CD1 4.1Å; L129-I133 HydrophobicContact CD2-CD1 3.76Å; P130-I133 HydrophobicContact CB-CD1 4.33Å; P130-I133 HydrophobicContact CB-CG1 4.26Å; P130-I133 HydrophobicContact CG-CD1 4.2Å; P130-I133 PolarHBondContact O-N 2.83Å; I133-L138 HydrophobicContact CG2-CB 4.09Å; I133-L150 WeakPolarHBondContact O-CD2 3.25Å; I133-R157 WeakPolarHBondContact O-CD 3.45Å; I133-R157 PolarHBondContact O-NE 3Å; I133-R157 PolarHBondContact O-NH1 3.24Å; I133-R157 PolarHBondContact O-NH2 3.21Å; I133-R157 VanDerWaalsContact O-NH2 3.14Å; I133-F181 HydrophobicContact CD1-CB 3.71Å; I133-F181 HydrophobicContact CD1-CD1 3.62Å; I133-F181 HydrophobicContact CD1-CD2 3.68Å; I133-F181 HydrophobicContact CD1-CE1 4.07Å; I133-F181 HydrophobicContact CD1-CE2 4.12Å; I133-F181 HydrophobicContact CD1-CG 3.41Å; I133-F181 VanDerWaalsContact CD1-CG 3.41Å; I133-F181 HydrophobicContact CD1-CZ 4.29Å; I133-F181 HydrophobicContact CG1-CB 4.45Å; I133-F181 HydrophobicContact CG1-CD1 4.14Å; I133-F181 HydrophobicContact CG1-CG 4.32Å | ||
| 134 | N | 87.2 | Confident | 87.4 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | trans | -100.9 | 171.6 | 178.9 | -70.7 | -33.1 | 0 | 0 | 0 | 111.8 | H132 S136 M137 L138 R157 | H132-N134 PolarHBondContact O-N 3.21Å; H132-N134 VanDerWaalsContact O-N 3.13Å; H132-N134 PolarHBondContact O-OD1 3.42Å; N134-S136 VanDerWaalsContact C-N 3.31Å; N134-S136 PolarHBondContact O-N 3.2Å; N134-M137 PolarHBondContact O-N 3.43Å; N134-L138 PolarHBondContact O-N 2.97Å; N134-R157 PolarHBondContact OD1-NH1 3.31Å; N134-R157 VanDerWaalsContact OD1-NH1 3.13Å; N134-R157 PolarHBondContact OD1-NH2 2.93Å | ||
| 135 | Y | 88.4 | Confident | 87.2 | Confident | 117 Ų | 117 | 54 Ų | 54 | 46% | 0.459 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.5 | -41.5 | -174.6 | 178.7 | -99.4 | 0 | 0 | 0 | 112.8 | L138 K139 L148 | Y135-L138 PolarHBondContact O-N 3.25Å; Y135-K139 HydrophobicContact CE1-CD 4.19Å; Y135-K139 WeakPolarHBondContact O-CB 2.89Å; Y135-K139 PolarHBondContact O-N 2.78Å; Y135-L148 HydrophobicContact CD2-CD2 3.68Å; Y135-L148 HydrophobicContact CE2-CB 4.12Å; Y135-L148 HydrophobicContact CE2-CD2 3.64Å |
| 136 | S | 88.4 | Confident | 86.8 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 52% | 0.524 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.8 | -62.2 | 177.7 | -37.7 | 0 | 0 | 0 | 0 | 111.1 | N134 L138 K139 D140 | N134-S136 VanDerWaalsContact C-N 3.31Å; N134-S136 PolarHBondContact O-N 3.2Å; S136-L138 PolarHBondContact O-N 2.94Å; S136-K139 CarbonylContact O-C 3.59Å; S136-K139 WeakPolarHBondContact O-CA 3.49Å; S136-K139 WeakPolarHBondContact O-CB 3.36Å; S136-K139 PolarHBondContact O-N 3.37Å; S136-D140 PolarHBondContact O-N 2.95Å |
| 137 | M | 87.7 | Confident | 86.5 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 39% | 0.389 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -47 | -39.9 | 179.6 | -58.4 | 169.6 | -173.4 | 0 | 0 | 113.3 | N134 D140 A141 | N134-M137 PolarHBondContact O-N 3.43Å; M137-D140 PolarHBondContact N-OD2 2.88Å; M137-A141 VanDerWaalsContact O-CB 3.26Å; M137-A141 WeakPolarHBondContact O-CB 3.45Å; M137-A141 PolarHBondContact O-N 2.85Å |
| 138 | L | 88.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -82.7 | -23.4 | -178.3 | -162 | 60.9 | 0 | 0 | 0 | 113.6 | I126 L129 I133 N134 Y135 S136 I142 L148 L150 A159 F181 | I126-L138 HydrophobicContact CD1-CD1 4.5Å; I126-L138 HydrophobicContact CD1-CD2 4.49Å; L129-L138 HydrophobicContact CD1-CD2 3.86Å; L129-L138 HydrophobicContact CD2-CD1 4.18Å; I133-L138 HydrophobicContact CG2-CB 4.09Å; N134-L138 PolarHBondContact O-N 2.97Å; Y135-L138 PolarHBondContact O-N 3.25Å; S136-L138 PolarHBondContact O-N 2.94Å; L138-I142 HydrophobicContact CD1-CD1 4.33Å; L138-I142 PolarHBondContact O-N 2.97Å; L138-L148 HydrophobicContact CB-CD2 4.47Å; L138-L148 HydrophobicContact CD2-CD2 4.3Å; L138-L148 HydrophobicContact CG-CD1 4.24Å; L138-L148 HydrophobicContact CG-CD2 4.46Å; L138-L150 HydrophobicContact CD2-CD1 4.03Å; L138-A159 HydrophobicContact CD2-CB 3.3Å; L138-F181 HydrophobicContact CD1-CZ 4.23Å |
| 139 | K | 88.5 | Confident | 86.5 | Confident | 105 Ų | 105 | 62.4 Ų | 62.4 | 46% | 0.457 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -76.6 | -37.4 | 168.2 | -170.6 | -173.2 | 176.1 | -164.4 | 0 | 111.3 | Y135 S136 A141 I142 P143 | Y135-K139 HydrophobicContact CE1-CD 4.19Å; Y135-K139 WeakPolarHBondContact O-CB 2.89Å; Y135-K139 PolarHBondContact O-N 2.78Å; S136-K139 CarbonylContact O-C 3.59Å; S136-K139 WeakPolarHBondContact O-CA 3.49Å; S136-K139 WeakPolarHBondContact O-CB 3.36Å; S136-K139 PolarHBondContact O-N 3.37Å; K139-A141 VanDerWaalsContact C-N 3.34Å; K139-I142 CarbonylContact O-C 3.53Å; K139-I142 PolarHBondContact O-N 2.96Å; K139-P143 VanDerWaalsContact O-CA 3.31Å; K139-P143 WeakPolarHBondContact O-CA 3.31Å |
| 140 | D | 87.8 | Confident | 86.6 | Confident | 114 Ų | 114 | 63.6 Ų | 63.6 | 61% | 0.61 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -67.2 | -39.2 | 176.6 | -52.1 | -34.3 | 0 | 0 | 0 | 110.3 | S136 M137 | S136-D140 PolarHBondContact O-N 2.95Å; M137-D140 PolarHBondContact N-OD2 2.88Å |
| 141 | A | 86.5 | Confident | 86.9 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | M137 K139 R175 L179 F181 | M137-A141 VanDerWaalsContact O-CB 3.26Å; M137-A141 WeakPolarHBondContact O-CB 3.45Å; M137-A141 PolarHBondContact O-N 2.85Å; K139-A141 VanDerWaalsContact C-N 3.34Å; A141-R175 WeakPolarHBondContact O-CD 3.31Å; A141-L179 HydrophobicContact CB-CD1 3.56Å; A141-F181 HydrophobicContact CB-CZ 4.01Å |
| 142 | I | 88.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -132.6 | 71.2 | -173.1 | -42.9 | 175.4 | 0 | 0 | 0 | 111 | I126 L138 K139 S144 A145 F163 A172 L176 | I126-I142 HydrophobicContact CD1-CD1 3.37Å; L138-I142 HydrophobicContact CD1-CD1 4.33Å; L138-I142 PolarHBondContact O-N 2.97Å; K139-I142 CarbonylContact O-C 3.53Å; K139-I142 PolarHBondContact O-N 2.96Å; I142-S144 VanDerWaalsContact C-N 3.26Å; I142-S144 PolarHBondContact O-N 2.57Å; I142-A145 HydrophobicContact CB-CB 4.44Å; I142-A145 HydrophobicContact CG2-CB 3.94Å; I142-A145 WeakPolarHBondContact O-CB 3.42Å; I142-A145 PolarHBondContact O-N 3.03Å; I142-F163 HydrophobicContact CG2-CE1 3.91Å; I142-F163 HydrophobicContact CG2-CZ 4.12Å; I142-A172 HydrophobicContact CG2-CB 3.48Å; I142-A172 VanDerWaalsContact CG2-CB 3.48Å; I142-L176 HydrophobicContact CD1-CD1 3.68Å; I142-L176 HydrophobicContact CD1-CD2 3.99Å; I142-L176 HydrophobicContact CD1-CG 3.79Å; I142-L176 HydrophobicContact CG1-CG 4.35Å | ||
| 143 | P | 87.4 | Confident | 87.2 | Confident | 72 Ų | 72 | 70 Ų | 70 | 47% | 0.468 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -27.5 | -176.8 | 26.4 | -34.6 | 0 | 0 | 0 | 112.7 | K139 A145 | K139-P143 VanDerWaalsContact O-CA 3.31Å; K139-P143 WeakPolarHBondContact O-CA 3.31Å; P143-A145 PolarHBondContact O-N 3.18Å |
| 144 | S | 84.3 | Confident | 87 | Confident | 20 Ų | 20 | 75.8 Ų | 75.8 | 14% | 0.14 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -9.8 | 175.4 | -55.8 | 0 | 0 | 0 | 0 | 114.5 | I142 A146 F163 D168 | I142-S144 VanDerWaalsContact C-N 3.26Å; I142-S144 PolarHBondContact O-N 2.57Å; S144-A146 PolarHBondContact O-N 2.89Å; S144-F163 WeakPolarHBondContact O-CD1 3.48Å; S144-D168 WeakPolarHBondContact CB-OD1 3.47Å |
| 145 | A | 85.2 | Confident | 86.7 | Confident | 14 Ų | 14 | 74.6 Ų | 74.6 | 12% | 0.116 | 39% | 0.388 | C | S | . | . | trans | -74.4 | 88.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I142 P143 R147 L148 A161 N162 F163 | I142-A145 HydrophobicContact CB-CB 4.44Å; I142-A145 HydrophobicContact CG2-CB 3.94Å; I142-A145 WeakPolarHBondContact O-CB 3.42Å; I142-A145 PolarHBondContact O-N 3.03Å; P143-A145 PolarHBondContact O-N 3.18Å; A145-R147 PolarHBondContact O-N 3Å; A145-L148 HydrophobicContact CB-CB 4.2Å; A145-L148 HydrophobicContact CB-CD1 3.9Å; A145-A161 HydrophobicContact CB-CB 4.07Å; A145-N162 CarbonylContact C-O 3.55Å; A145-F163 HydrophobicContact CB-CE1 3.85Å; A145-F163 HydrophobicContact CB-CZ 4.32Å | ||
| 146 | A | 82.6 | Confident | 86.5 | Confident | 57 Ų | 57 | 75.7 Ų | 75.7 | 47% | 0.471 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -47.5 | -29 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S144 N162 N164 | S144-A146 PolarHBondContact O-N 2.89Å; A146-N162 PolarHBondContact N-O 2.83Å; A146-N164 HydrophobicContact CB-CB 4.46Å; A146-N164 VanDerWaalsContact CB-OD1 3.24Å; A146-N164 WeakPolarHBondContact CB-OD1 3.2Å |
| 147 | R | 84.5 | Confident | 86.5 | Confident | 167 Ų | 167 | 74.8 Ų | 74.8 | 63% | 0.63 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146 | 125.2 | 164.3 | 172.5 | 178.2 | 175 | 175.9 | 1.7 | 111.1 | A145 A161 N162 | A145-R147 PolarHBondContact O-N 3Å; R147-A161 CarbonylContact O-C 3.06Å; R147-A161 WeakPolarHBondContact O-CA 3.38Å; R147-N162 HydrophobicContact CB-CB 3.99Å; R147-N162 PolarHBondContact N-O 3.03Å; R147-N162 PolarHBondContact O-N 2.74Å |
| 148 | L | 89.2 | Confident | 86.7 | Confident | 14 Ų | 14 | 72 Ų | 72 | 7% | 0.073 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.5 | -179.7 | -166.8 | 141.1 | 0 | 0 | 0 | 110.6 | Y135 L138 A145 F160 | Y135-L148 HydrophobicContact CD2-CD2 3.68Å; Y135-L148 HydrophobicContact CE2-CB 4.12Å; Y135-L148 HydrophobicContact CE2-CD2 3.64Å; L138-L148 HydrophobicContact CB-CD2 4.47Å; L138-L148 HydrophobicContact CD2-CD2 4.3Å; L138-L148 HydrophobicContact CG-CD1 4.24Å; L138-L148 HydrophobicContact CG-CD2 4.46Å; A145-L148 HydrophobicContact CB-CB 4.2Å; A145-L148 HydrophobicContact CB-CD1 3.9Å; L148-F160 CarbonylContact C-O 3.5Å; L148-F160 WeakPolarHBondContact CA-O 3.24Å |
| 149 | H | 88.4 | Confident | 86.8 | Confident | 109 Ų | 109 | 72 Ų | 72 | 51% | 0.505 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 111.8 | -178.2 | -177.3 | 67 | 0 | 0 | 0 | 111.6 | F151 A159 F160 | H149-F151 AromaticContact CD2-CD1 3.9Å; H149-A159 CarbonylContact O-C 3.55Å; H149-A159 VanDerWaalsContact O-CA 3.27Å; H149-A159 WeakPolarHBondContact O-CA 3.47Å; H149-F160 PolarHBondContact N-O 2.64Å; H149-F160 PolarHBondContact O-N 3.14Å |
| 150 | L | 90.3 | Very high | 87 | Confident | 35 Ų | 35 | 68.9 Ų | 68.9 | 18% | 0.183 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.3 | -179 | -175.2 | 72.2 | 0 | 0 | 0 | 110.3 | L129 I133 L138 R157 A159 | L129-L150 HydrophobicContact CD1-CD1 4.13Å; I133-L150 WeakPolarHBondContact O-CD2 3.25Å; L138-L150 HydrophobicContact CD2-CD1 4.03Å; L150-R157 HydrophobicContact CD1-CG 4.15Å; L150-A159 HydrophobicContact CD1-CB 4.02Å |
| 151 | F | 89.9 | Confident | 87.1 | Confident | 66 Ų | 66 | 63.5 Ų | 63.5 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 172.2 | -176.3 | 64.5 | -81.2 | 0 | 0 | 0 | 112.2 | L125 H149 K153 L158 F160 | L125-F151 HydrophobicContact CD1-CE1 4.39Å; L125-F151 HydrophobicContact CD1-CZ 3.94Å; H149-F151 AromaticContact CD2-CD1 3.9Å; F151-K153 HydrophobicContact CE2-CB 4.41Å; F151-L158 HydrophobicContact CD1-CB 4.36Å; F151-L158 WeakPolarHBondContact CD1-O 3.37Å; F151-L158 HydrophobicContact CD2-CB 4.11Å; F151-L158 HydrophobicContact CD2-CD1 4.48Å; F151-L158 HydrophobicContact CE1-CB 3.97Å; F151-L158 HydrophobicContact CE2-CB 3.69Å; F151-L158 HydrophobicContact CE2-CD1 3.88Å; F151-L158 HydrophobicContact CE2-CG 4.39Å; F151-L158 HydrophobicContact CG-CB 4.43Å; F151-L158 HydrophobicContact CZ-CB 3.61Å; F151-L158 HydrophobicContact CZ-CD1 4.41Å; F151-L158 PolarHBondContact N-O 2.79Å; F151-L158 PolarHBondContact O-N 2.65Å; F151-F160 HydrophobicContact CE1-CB 4.25Å |
| 152 | R | 88.2 | Confident | 87.3 | Confident | 198 Ų | 198 | 64.7 Ų | 64.7 | 75% | 0.747 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.4 | -180 | -147.7 | 170.7 | 80.1 | 169.7 | 4.8 | 110.4 | K156 | R152-K156 WeakPolarHBondContact CA-O 3.34Å; R152-K156 VanDerWaalsContact CG-O 3.27Å; R152-K156 WeakPolarHBondContact CG-O 3.46Å |
| 153 | K | 84.2 | Confident | 87.3 | Confident | 138 Ų | 138 | 65 Ų | 65 | 60% | 0.6 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136 | 130.9 | 178.8 | -164.6 | 180 | -180 | 179.5 | 0 | 109.2 | F151 G155 K156 L158 | F151-K153 HydrophobicContact CE2-CB 4.41Å; K153-G155 PolarHBondContact O-N 3.06Å; K153-G155 VanDerWaalsContact O-N 3.17Å; K153-K156 PolarHBondContact N-O 3.48Å; K153-K156 PolarHBondContact O-N 3.21Å; K153-L158 HydrophobicContact CB-CD1 3.49Å; K153-L158 VanDerWaalsContact CB-CD1 3.49Å |
| 154 | S | 82.8 | Confident | 87.2 | Confident | 123 Ų | 123 | 67.6 Ų | 67.6 | 86% | 0.86 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 40.9 | -178.4 | -51 | 0 | 0 | 0 | 0 | 113.7 | K156 | S154-K156 PolarHBondContact O-N 2.91Å; S154-K156 VanDerWaalsContact O-N 3.17Å |
| 155 | G | 80.9 | Confident | 87.2 | Confident | 52 Ų | 52 | 69.4 Ų | 69.4 | 54% | 0.536 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -14.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | K153 | K153-G155 PolarHBondContact O-N 3.06Å; K153-G155 VanDerWaalsContact O-N 3.17Å |
| 156 | K | 84.2 | Confident | 87.3 | Confident | 141 Ų | 141 | 73.2 Ų | 73.2 | 61% | 0.613 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 144.1 | 177.7 | -58.4 | -167.5 | 178.3 | -166.6 | 0 | 111.2 | R152 K153 S154 | R152-K156 WeakPolarHBondContact CA-O 3.34Å; R152-K156 VanDerWaalsContact CG-O 3.27Å; R152-K156 WeakPolarHBondContact CG-O 3.46Å; K153-K156 PolarHBondContact N-O 3.48Å; K153-K156 PolarHBondContact O-N 3.21Å; S154-K156 PolarHBondContact O-N 2.91Å; S154-K156 VanDerWaalsContact O-N 3.17Å |
| 157 | R | 88.1 | Confident | 87.5 | Confident | 55 Ų | 55 | 76.4 Ų | 76.4 | 21% | 0.208 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 137.3 | 171.5 | -139.7 | 165.8 | -174.8 | 178 | -14.3 | 108.2 | L129 K131 H132 I133 N134 L150 | L129-R157 HydrophobicContact CB-CB 4.27Å; K131-R157 WeakPolarHBondContact O-CD 3.2Å; K131-R157 PolarHBondContact O-NH1 3Å; H132-R157 PolarHBondContact O-NH1 2.83Å; I133-R157 WeakPolarHBondContact O-CD 3.45Å; I133-R157 PolarHBondContact O-NE 3Å; I133-R157 PolarHBondContact O-NH1 3.24Å; I133-R157 PolarHBondContact O-NH2 3.21Å; I133-R157 VanDerWaalsContact O-NH2 3.14Å; N134-R157 PolarHBondContact OD1-NH1 3.31Å; N134-R157 VanDerWaalsContact OD1-NH1 3.13Å; N134-R157 PolarHBondContact OD1-NH2 2.93Å; L150-R157 HydrophobicContact CD1-CG 4.15Å |
| 158 | L | 91.5 | Very high | 87.7 | Confident | 22 Ų | 22 | 70.5 Ų | 70.5 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 149.3 | -170 | -75.3 | 149.4 | 0 | 0 | 0 | 108.1 | L125 I126 T127 F151 K153 | L125-L158 HydrophobicContact CD1-CD2 4.4Å; I126-L158 WeakPolarHBondContact O-CA 3.2Å; T127-L158 HydrophobicContact CG2-CD2 3.63Å; F151-L158 HydrophobicContact CD1-CB 4.36Å; F151-L158 WeakPolarHBondContact CD1-O 3.37Å; F151-L158 HydrophobicContact CD2-CB 4.11Å; F151-L158 HydrophobicContact CD2-CD1 4.48Å; F151-L158 HydrophobicContact CE1-CB 3.97Å; F151-L158 HydrophobicContact CE2-CB 3.69Å; F151-L158 HydrophobicContact CE2-CD1 3.88Å; F151-L158 HydrophobicContact CE2-CG 4.39Å; F151-L158 HydrophobicContact CG-CB 4.43Å; F151-L158 HydrophobicContact CZ-CB 3.61Å; F151-L158 HydrophobicContact CZ-CD1 4.41Å; F151-L158 PolarHBondContact N-O 2.79Å; F151-L158 PolarHBondContact O-N 2.65Å; K153-L158 HydrophobicContact CB-CD1 3.49Å; K153-L158 VanDerWaalsContact CB-CD1 3.49Å |
| 159 | A | 91.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 153.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I126 L129 L138 H149 L150 | I126-A159 HydrophobicContact CB-CB 4.27Å; I126-A159 HydrophobicContact CD1-CB 4.3Å; I126-A159 PolarHBondContact N-O 3.33Å; I126-A159 PolarHBondContact O-N 2.89Å; L129-A159 HydrophobicContact CD1-CB 3.87Å; L138-A159 HydrophobicContact CD2-CB 3.3Å; H149-A159 CarbonylContact O-C 3.55Å; H149-A159 VanDerWaalsContact O-CA 3.27Å; H149-A159 WeakPolarHBondContact O-CA 3.47Å; L150-A159 HydrophobicContact CD1-CB 4.02Å |
| 160 | F | 91.3 | Very high | 87.7 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 17% | 0.171 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 123.6 | 173 | -159.3 | -97.9 | 0 | 0 | 0 | 108.6 | L124 L125 L148 H149 F151 N162 V191 | L124-F160 WeakPolarHBondContact O-CA 3.49Å; L125-F160 HydrophobicContact CB-CD2 4.36Å; L125-F160 HydrophobicContact CD1-CD2 4.37Å; L148-F160 CarbonylContact C-O 3.5Å; L148-F160 WeakPolarHBondContact CA-O 3.24Å; H149-F160 PolarHBondContact N-O 2.64Å; H149-F160 PolarHBondContact O-N 3.14Å; F151-F160 HydrophobicContact CE1-CB 4.25Å; F160-N162 WeakPolarHBondContact CE1-OD1 3.31Å; F160-V191 HydrophobicContact CE2-CB 3.8Å; F160-V191 HydrophobicContact CE2-CG1 3.84Å; F160-V191 HydrophobicContact CE2-CG2 4.18Å; F160-V191 HydrophobicContact CZ-CB 4.17Å; F160-V191 HydrophobicContact CZ-CG1 4.09Å |
| 161 | A | 90.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S123 L124 A145 R147 F163 | S123-A161 CarbonylContact C-O 3.56Å; S123-A161 VanDerWaalsContact CA-O 3.24Å; S123-A161 WeakPolarHBondContact CA-O 3.48Å; L124-A161 HydrophobicContact CB-CB 4.49Å; L124-A161 PolarHBondContact N-O 2.86Å; L124-A161 PolarHBondContact O-N 3.34Å; A145-A161 HydrophobicContact CB-CB 4.07Å; R147-A161 CarbonylContact O-C 3.06Å; R147-A161 WeakPolarHBondContact O-CA 3.38Å; A161-F163 HydrophobicContact CB-CE1 4.42Å; A161-F163 HydrophobicContact CB-CE2 3.7Å; A161-F163 HydrophobicContact CB-CZ 3.52Å |
| 162 | N | 89.5 | Confident | 87.6 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 19% | 0.193 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.7 | 174.1 | -105.1 | 93.5 | 0 | 0 | 0 | 107.7 | S123 A145 A146 R147 F160 R193 | S123-N162 VanDerWaalsContact OG-CG 3.28Å; S123-N162 PolarHBondContact OG-ND2 3.28Å; S123-N162 VanDerWaalsContact OG-ND2 3.08Å; S123-N162 PolarHBondContact OG-OD1 3.39Å; A145-N162 CarbonylContact C-O 3.55Å; A146-N162 PolarHBondContact N-O 2.83Å; R147-N162 HydrophobicContact CB-CB 3.99Å; R147-N162 PolarHBondContact N-O 3.03Å; R147-N162 PolarHBondContact O-N 2.74Å; F160-N162 WeakPolarHBondContact CE1-OD1 3.31Å; N162-R193 PolarHBondContact OD1-NH2 2.91Å |
| 163 | F | 89.4 | Confident | 87.6 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | trans | -124.1 | 152.7 | -178.8 | -55.7 | -80.8 | 0 | 0 | 0 | 109.8 | L122 L124 I142 S144 A145 A161 D168 Y169 A172 | L122-F163 HydrophobicContact CB-CB 4.35Å; L122-F163 WeakPolarHBondContact CB-O 3.2Å; L122-F163 PolarHBondContact O-N 2.98Å; L122-F163 VanDerWaalsContact O-N 3.14Å; L124-F163 HydrophobicContact CB-CE2 3.83Å; I142-F163 HydrophobicContact CG2-CE1 3.91Å; I142-F163 HydrophobicContact CG2-CZ 4.12Å; S144-F163 WeakPolarHBondContact O-CD1 3.48Å; A145-F163 HydrophobicContact CB-CE1 3.85Å; A145-F163 HydrophobicContact CB-CZ 4.32Å; A161-F163 HydrophobicContact CB-CE1 4.42Å; A161-F163 HydrophobicContact CB-CE2 3.7Å; A161-F163 HydrophobicContact CB-CZ 3.52Å; F163-D168 HydrophobicContact CB-CB 3.96Å; F163-D168 HydrophobicContact CD1-CB 3.94Å; F163-D168 HydrophobicContact CG-CB 4.36Å; F163-Y169 AromaticContact CD2-CD2 3.84Å; F163-Y169 HydrophobicContact CD2-CD2 3.84Å; F163-Y169 HydrophobicContact CD2-CG 4.44Å; F163-Y169 HydrophobicContact CE2-CD2 4.18Å; F163-A172 HydrophobicContact CD1-CB 4.25Å; F163-A172 HydrophobicContact CE1-CB 3.31Å; F163-A172 HydrophobicContact CE2-CB 4.35Å; F163-A172 HydrophobicContact CZ-CB 3.37Å | ||
| 164 | N | 84.1 | Confident | 87.8 | Confident | 127 Ų | 127 | 56.5 Ų | 56.5 | 68% | 0.679 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -94.4 | -30.2 | 179.7 | -70.6 | -7.7 | 0 | 0 | 0 | 112 | L122 A146 | L122-N164 WeakPolarHBondContact CD1-O 3.36Å; A146-N164 HydrophobicContact CB-CB 4.46Å; A146-N164 VanDerWaalsContact CB-OD1 3.24Å; A146-N164 WeakPolarHBondContact CB-OD1 3.2Å |
| 165 | T | 86.1 | Confident | 88.1 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 36% | 0.362 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -120.9 | 166.6 | 178.7 | 68 | 0 | 0 | 0 | 0 | 112.1 | L122 D167 D168 Y169 | L122-T165 WeakPolarHBondContact CD2-O 3.33Å; T165-D167 VanDerWaalsContact C-N 3.33Å; T165-D168 PolarHBondContact N-OD2 2.89Å; T165-D168 VanDerWaalsContact OG1-CB 3.31Å; T165-D168 WeakPolarHBondContact OG1-CB 3.36Å; T165-D168 PolarHBondContact OG1-N 3.38Å; T165-D168 PolarHBondContact OG1-OD2 3.18Å; T165-Y169 PolarHBondContact O-N 2.78Å |
| 166 | V | 85.7 | Confident | 88.4 | Confident | 94 Ų | 94 | 52.9 Ų | 52.9 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -70.8 | -32.9 | 172 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | L122 Y169 S170 | L122-V166 HydrophobicContact CD2-CG2 4.12Å; V166-Y169 WeakPolarHBondContact O-CB 3.43Å; V166-Y169 PolarHBondContact O-N 3.26Å; V166-S170 WeakPolarHBondContact O-CB 3.36Å; V166-S170 PolarHBondContact O-N 2.97Å; V166-S170 PolarHBondContact O-OG 3.19Å |
| 167 | D | 87.3 | Confident | 88.4 | Confident | 123 Ų | 123 | 51.9 Ų | 51.9 | 66% | 0.658 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -68 | -43.3 | 177.8 | -52 | -77.1 | 0 | 0 | 0 | 111.8 | T165 Y169 S170 N171 | T165-D167 VanDerWaalsContact C-N 3.33Å; D167-Y169 VanDerWaalsContact C-N 3.3Å; D167-Y169 PolarHBondContact O-N 3.35Å; D167-S170 PolarHBondContact O-N 2.8Å; D167-N171 WeakPolarHBondContact O-CB 3.5Å; D167-N171 PolarHBondContact O-N 3.38Å |
| 168 | D | 89.4 | Confident | 88.2 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 24% | 0.235 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.1 | -44.9 | 172.3 | -75.7 | -47.7 | 0 | 0 | 0 | 111.8 | S144 F163 T165 A172 | S144-D168 WeakPolarHBondContact CB-OD1 3.47Å; F163-D168 HydrophobicContact CB-CB 3.96Å; F163-D168 HydrophobicContact CD1-CB 3.94Å; F163-D168 HydrophobicContact CG-CB 4.36Å; T165-D168 PolarHBondContact N-OD2 2.89Å; T165-D168 VanDerWaalsContact OG1-CB 3.31Å; T165-D168 WeakPolarHBondContact OG1-CB 3.36Å; T165-D168 PolarHBondContact OG1-N 3.38Å; T165-D168 PolarHBondContact OG1-OD2 3.18Å; D168-A172 VanDerWaalsContact O-CB 3.26Å; D168-A172 WeakPolarHBondContact O-CB 3.38Å; D168-A172 PolarHBondContact O-N 3.42Å |
| 169 | Y | 89.3 | Confident | 87.8 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 14% | 0.137 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 177 | 171.6 | -85.9 | 0 | 0 | 0 | 111.3 | L122 L124 F163 T165 V166 D167 A172 T173 Q190 | L122-Y169 HydrophobicContact CD2-CG 4.47Å; L124-Y169 HydrophobicContact CB-CE2 4.49Å; L124-Y169 HydrophobicContact CD1-CE2 3.64Å; F163-Y169 AromaticContact CD2-CD2 3.84Å; F163-Y169 HydrophobicContact CD2-CD2 3.84Å; F163-Y169 HydrophobicContact CD2-CG 4.44Å; F163-Y169 HydrophobicContact CE2-CD2 4.18Å; T165-Y169 PolarHBondContact O-N 2.78Å; V166-Y169 WeakPolarHBondContact O-CB 3.43Å; V166-Y169 PolarHBondContact O-N 3.26Å; D167-Y169 VanDerWaalsContact C-N 3.3Å; D167-Y169 PolarHBondContact O-N 3.35Å; Y169-A172 WeakPolarHBondContact O-CB 3.46Å; Y169-A172 PolarHBondContact O-N 2.72Å; Y169-T173 HydrophobicContact CE1-CG2 4.04Å; Y169-T173 PolarHBondContact O-N 3.41Å; Y169-T173 PolarHBondContact O-OG1 2.93Å; Y169-Q190 HydrophobicContact CE2-CG 3.99Å; Y169-Q190 WeakPolarHBondContact OH-CB 3.1Å; Y169-Q190 WeakPolarHBondContact OH-CG 3.46Å |
| 170 | S | 87.4 | Confident | 87.5 | Confident | 50 Ų | 50 | 59.4 Ų | 59.4 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.7 | -41.4 | -176.2 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | V166 D167 A172 T173 S174 | V166-S170 WeakPolarHBondContact O-CB 3.36Å; V166-S170 PolarHBondContact O-N 2.97Å; V166-S170 PolarHBondContact O-OG 3.19Å; D167-S170 PolarHBondContact O-N 2.8Å; S170-A172 VanDerWaalsContact C-N 3.3Å; S170-A172 PolarHBondContact O-N 3.33Å; S170-T173 WeakPolarHBondContact CA-OG1 3.41Å; S170-T173 PolarHBondContact O-N 2.97Å; S170-T173 PolarHBondContact O-OG1 3.01Å; S170-S174 PolarHBondContact O-N 3.39Å; S170-S174 PolarHBondContact O-OG 2.9Å |
| 171 | N | 88.9 | Confident | 87 | Confident | 75 Ų | 75 | 58.7 Ų | 58.7 | 40% | 0.401 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 171.6 | -166 | -28.3 | 0 | 0 | 0 | 110.7 | D167 R175 | D167-N171 WeakPolarHBondContact O-CB 3.5Å; D167-N171 PolarHBondContact O-N 3.38Å; N171-R175 WeakPolarHBondContact O-CB 3.42Å; N171-R175 VanDerWaalsContact O-CG 3.26Å; N171-R175 WeakPolarHBondContact O-CG 3.19Å; N171-R175 PolarHBondContact O-N 2.97Å; N171-R175 WeakPolarHBondContact OD1-CD 3.48Å; N171-R175 PolarHBondContact OD1-NE 2.99Å |
| 172 | A | 89.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | I142 F163 D168 Y169 S170 L176 | I142-A172 HydrophobicContact CG2-CB 3.48Å; I142-A172 VanDerWaalsContact CG2-CB 3.48Å; F163-A172 HydrophobicContact CD1-CB 4.25Å; F163-A172 HydrophobicContact CE1-CB 3.31Å; F163-A172 HydrophobicContact CE2-CB 4.35Å; F163-A172 HydrophobicContact CZ-CB 3.37Å; D168-A172 VanDerWaalsContact O-CB 3.26Å; D168-A172 WeakPolarHBondContact O-CB 3.38Å; D168-A172 PolarHBondContact O-N 3.42Å; Y169-A172 WeakPolarHBondContact O-CB 3.46Å; Y169-A172 PolarHBondContact O-N 2.72Å; S170-A172 VanDerWaalsContact C-N 3.3Å; S170-A172 PolarHBondContact O-N 3.33Å; A172-L176 WeakPolarHBondContact O-CB 3.48Å; A172-L176 PolarHBondContact O-N 3.27Å |
| 173 | T | 88.6 | Confident | 85.9 | Confident | 24 Ų | 24 | 66.2 Ų | 66.2 | 15% | 0.147 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 175.1 | 45.5 | 0 | 0 | 0 | 0 | 111.8 | L124 Y169 S170 R175 L176 E177 F188 | L124-T173 HydrophobicContact CD1-CG2 4.04Å; L124-T173 HydrophobicContact CD2-CG2 4.47Å; Y169-T173 HydrophobicContact CE1-CG2 4.04Å; Y169-T173 PolarHBondContact O-N 3.41Å; Y169-T173 PolarHBondContact O-OG1 2.93Å; S170-T173 WeakPolarHBondContact CA-OG1 3.41Å; S170-T173 PolarHBondContact O-N 2.97Å; S170-T173 PolarHBondContact O-OG1 3.01Å; T173-R175 VanDerWaalsContact C-N 3.35Å; T173-R175 PolarHBondContact O-N 2.8Å; T173-L176 PolarHBondContact O-N 2.9Å; T173-E177 PolarHBondContact O-N 2.85Å; T173-F188 HydrophobicContact CG2-CD2 4.11Å; T173-F188 HydrophobicContact CG2-CE2 3.64Å; T173-F188 HydrophobicContact CG2-CZ 4.36Å |
| 174 | S | 88.6 | Confident | 85.6 | Confident | 81 Ų | 81 | 68.4 Ų | 68.4 | 57% | 0.566 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.7 | -40.1 | 178.4 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | S170 E177 G178 | S170-S174 PolarHBondContact O-N 3.39Å; S170-S174 PolarHBondContact O-OG 2.9Å; S174-E177 PolarHBondContact O-N 2.97Å; S174-G178 PolarHBondContact O-N 2.71Å; S174-G178 VanDerWaalsContact O-N 3.14Å |
| 175 | R | 87.7 | Confident | 85.7 | Confident | 100 Ų | 100 | 67.1 Ų | 67.1 | 38% | 0.377 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 172.5 | -75.1 | 169.9 | 178.7 | -104.7 | -3.4 | 111.9 | A141 N171 T173 E177 G178 L179 | A141-R175 WeakPolarHBondContact O-CD 3.31Å; N171-R175 WeakPolarHBondContact O-CB 3.42Å; N171-R175 VanDerWaalsContact O-CG 3.26Å; N171-R175 WeakPolarHBondContact O-CG 3.19Å; N171-R175 PolarHBondContact O-N 2.97Å; N171-R175 WeakPolarHBondContact OD1-CD 3.48Å; N171-R175 PolarHBondContact OD1-NE 2.99Å; T173-R175 VanDerWaalsContact C-N 3.35Å; T173-R175 PolarHBondContact O-N 2.8Å; R175-E177 VanDerWaalsContact C-N 3.29Å; R175-E177 PolarHBondContact O-N 2.92Å; R175-G178 PolarHBondContact O-N 2.78Å; R175-L179 HydrophobicContact CB-CD1 4.49Å; R175-L179 WeakPolarHBondContact O-CB 3.25Å; R175-L179 WeakPolarHBondContact O-CD1 3.3Å; R175-L179 WeakPolarHBondContact O-CG 3.12Å; R175-L179 PolarHBondContact O-N 3.41Å |
| 176 | L | 87 | Confident | 85.7 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.3 | -28.6 | 178.8 | -83.9 | 166.9 | 0 | 0 | 0 | 113.6 | L124 I126 I142 A172 T173 P186 F188 | L124-L176 HydrophobicContact CD2-CD1 3.41Å; L124-L176 VanDerWaalsContact CD2-CD1 3.41Å; I126-L176 HydrophobicContact CD1-CD1 3.96Å; I126-L176 HydrophobicContact CD1-CD2 4.47Å; I126-L176 HydrophobicContact CG1-CD1 3.93Å; I126-L176 HydrophobicContact CG2-CD2 4.1Å; I142-L176 HydrophobicContact CD1-CD1 3.68Å; I142-L176 HydrophobicContact CD1-CD2 3.99Å; I142-L176 HydrophobicContact CD1-CG 3.79Å; I142-L176 HydrophobicContact CG1-CG 4.35Å; A172-L176 WeakPolarHBondContact O-CB 3.48Å; A172-L176 PolarHBondContact O-N 3.27Å; T173-L176 PolarHBondContact O-N 2.9Å; L176-P186 HydrophobicContact CD2-CB 4.11Å; L176-P186 HydrophobicContact CD2-CG 3.71Å; L176-F188 HydrophobicContact CB-CD1 3.49Å; L176-F188 VanDerWaalsContact CB-CD1 3.49Å; L176-F188 HydrophobicContact CB-CE1 3.48Å; L176-F188 VanDerWaalsContact CB-CE1 3.48Å; L176-F188 HydrophobicContact CB-CG 4.34Å; L176-F188 HydrophobicContact CB-CZ 4.31Å; L176-F188 HydrophobicContact CD1-CB 4.08Å; L176-F188 HydrophobicContact CD1-CD1 3.98Å; L176-F188 HydrophobicContact CD1-CG 4.05Å; L176-F188 HydrophobicContact CG-CD1 4.26Å |
| 177 | E | 85.5 | Confident | 85.9 | Confident | 119 Ų | 119 | 63.4 Ų | 63.4 | 56% | 0.556 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -74.4 | -27.1 | 173.7 | -108.6 | 164.3 | -140.7 | 0 | 0 | 113.2 | T173 S174 R175 K185 F188 | T173-E177 PolarHBondContact O-N 2.85Å; S174-E177 PolarHBondContact O-N 2.97Å; R175-E177 VanDerWaalsContact C-N 3.29Å; R175-E177 PolarHBondContact O-N 2.92Å; E177-K185 WeakPolarHBondContact O-CE 3.23Å; E177-K185 PolarHBondContact O-NZ 2.8Å; E177-F188 HydrophobicContact CB-CZ 4.48Å; E177-F188 HydrophobicContact CG-CE1 4.02Å; E177-F188 HydrophobicContact CG-CZ 3.85Å; E177-F188 WeakPolarHBondContact OE1-CZ 3.16Å |
| 178 | G | 82.7 | Confident | 86 | Confident | 69 Ų | 69 | 59.8 Ų | 59.8 | 71% | 0.711 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -90.2 | -8.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S174 R175 | S174-G178 PolarHBondContact O-N 2.71Å; S174-G178 VanDerWaalsContact O-N 3.14Å; R175-G178 PolarHBondContact O-N 2.78Å |
| 179 | L | 84.3 | Confident | 85.9 | Confident | 49 Ų | 49 | 67 Ų | 67 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | trans | -96 | 141.5 | -175.7 | -83.1 | 166.2 | 0 | 0 | 0 | 113.3 | A141 R175 F181 P186 | A141-L179 HydrophobicContact CB-CD1 3.56Å; R175-L179 HydrophobicContact CB-CD1 4.49Å; R175-L179 WeakPolarHBondContact O-CB 3.25Å; R175-L179 WeakPolarHBondContact O-CD1 3.3Å; R175-L179 WeakPolarHBondContact O-CG 3.12Å; R175-L179 PolarHBondContact O-N 3.41Å; L179-F181 HydrophobicContact CB-CE2 4.43Å; L179-F181 HydrophobicContact CD1-CZ 4.49Å; L179-P186 WeakPolarHBondContact O-CD 3.45Å | ||
| 180 | E | 84.2 | Confident | 85.8 | Confident | 117 Ų | 117 | 69.4 Ų | 69.4 | 55% | 0.547 | 38% | 0.38 | S | S | . | . | trans | -134.7 | 142.9 | 167.3 | -59.8 | -167.5 | 163.6 | 0 | 0 | 109.7 | K185 | E180-K185 HydrophobicContact CG-CB 4.26Å; E180-K185 HydrophobicContact CG-CG 4.39Å | ||
| 181 | F | 80.5 | Confident | 85.6 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 11% | 0.11 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -122.6 | 119.5 | -179.8 | -62.6 | -87.5 | 0 | 0 | 0 | 109.1 | L129 P130 I133 L138 A141 L179 G183 V184 P186 | L129-F181 HydrophobicContact CD2-CE2 4.48Å; P130-F181 HydrophobicContact CG-CB 3.85Å; P130-F181 WeakPolarHBondContact CG-O 3.1Å; I133-F181 HydrophobicContact CD1-CB 3.71Å; I133-F181 HydrophobicContact CD1-CD1 3.62Å; I133-F181 HydrophobicContact CD1-CD2 3.68Å; I133-F181 HydrophobicContact CD1-CE1 4.07Å; I133-F181 HydrophobicContact CD1-CE2 4.12Å; I133-F181 HydrophobicContact CD1-CG 3.41Å; I133-F181 VanDerWaalsContact CD1-CG 3.41Å; I133-F181 HydrophobicContact CD1-CZ 4.29Å; I133-F181 HydrophobicContact CG1-CB 4.45Å; I133-F181 HydrophobicContact CG1-CD1 4.14Å; I133-F181 HydrophobicContact CG1-CG 4.32Å; L138-F181 HydrophobicContact CD1-CZ 4.23Å; A141-F181 HydrophobicContact CB-CZ 4.01Å; L179-F181 HydrophobicContact CB-CE2 4.43Å; L179-F181 HydrophobicContact CD1-CZ 4.49Å; F181-G183 PolarHBondContact O-N 2.82Å; F181-V184 PolarHBondContact N-O 3.37Å; F181-V184 WeakPolarHBondContact O-CA 3.41Å; F181-V184 VanDerWaalsContact O-CB 3.29Å; F181-V184 WeakPolarHBondContact O-CB 3.39Å; F181-V184 PolarHBondContact O-N 2.67Å; F181-P186 HydrophobicContact CD2-CG 4.29Å; F181-P186 HydrophobicContact CE2-CG 4.18Å |
| 182 | D | 78.3 | Confident | 84.7 | Confident | 130 Ų | 130 | 68.7 Ų | 68.7 | 70% | 0.695 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 36.7 | -168.1 | -65 | -2 | 0 | 0 | 0 | 113.4 | H132 V184 | H132-D182 IonicContact CE1-OD1 3.38Å; H132-D182 PolarHBondContact CE1-OD1 2.94Å; H132-D182 IonicContact CE1-OD2 2.95Å; H132-D182 PolarHBondContact CE1-OD2 2.62Å; H132-D182 IonicContact ND1-OD2 2.95Å; H132-D182 PolarHBondContact ND1-OD2 3.04Å; D182-V184 PolarHBondContact O-N 3.32Å |
| 183 | G | 79.7 | Confident | 83.2 | Confident | 63 Ų | 63 | 74.4 Ų | 74.4 | 65% | 0.649 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 13.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F181 | F181-G183 PolarHBondContact O-N 2.82Š|
| 184 | V | 82.6 | Confident | 81.4 | Confident | 53 Ų | 53 | 79.7 Ų | 79.7 | 32% | 0.321 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -104.9 | 111.6 | 175 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | N128 P130 F181 D182 | N128-V184 WeakPolarHBondContact ND2-CG1 3.08Å; P130-V184 HydrophobicContact CG-CB 4.12Å; P130-V184 HydrophobicContact CG-CG2 4.47Å; F181-V184 PolarHBondContact N-O 3.37Å; F181-V184 WeakPolarHBondContact O-CA 3.41Å; F181-V184 VanDerWaalsContact O-CB 3.29Å; F181-V184 WeakPolarHBondContact O-CB 3.39Å; F181-V184 PolarHBondContact O-N 2.67Å; D182-V184 PolarHBondContact O-N 3.32Å |
| 185 | K | 86.2 | Confident | 79.2 | Confident | 100 Ų | 100 | 80.5 Ų | 80.5 | 44% | 0.435 | 42% | 0.419 | S | S | . | . | trans | -68.2 | 127.4 | 174.4 | -163.3 | 160.8 | -168.9 | 151.7 | 0 | 111 | N128 E177 E180 | N128-K185 PolarHBondContact ND2-O 3.43Å; E177-K185 WeakPolarHBondContact O-CE 3.23Å; E177-K185 PolarHBondContact O-NZ 2.8Å; E180-K185 HydrophobicContact CG-CB 4.26Å; E180-K185 HydrophobicContact CG-CG 4.39Å | ||
| 186 | P | 87 | Confident | 77.1 | Confident | 6 Ų | 6 | 85.9 Ų | 85.9 | 4% | 0.039 | 45% | 0.445 | C | S | . | . | trans | -71.7 | 137.6 | 175.5 | 31.7 | -33.6 | 0 | 0 | 0 | 109.7 | I126 L129 L176 L179 F181 | I126-P186 HydrophobicContact CG2-CB 4.13Å; L129-P186 HydrophobicContact CD2-CB 4.06Å; L176-P186 HydrophobicContact CD2-CB 4.11Å; L176-P186 HydrophobicContact CD2-CG 3.71Å; L179-P186 WeakPolarHBondContact O-CD 3.45Å; F181-P186 HydrophobicContact CD2-CG 4.29Å; F181-P186 HydrophobicContact CE2-CG 4.18Å | ||
| 187 | S | 88 | Confident | 74.9 | Confident | 68 Ų | 68 | 90.7 Ų | 90.7 | 48% | 0.476 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 115.2 | 178.1 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | T127 | T127-S187 CarbonylContact C-O 3.59Å; T127-S187 VanDerWaalsContact CA-O 3.31Å; T127-S187 WeakPolarHBondContact CA-O 3.43Å; T127-S187 VanDerWaalsContact CB-O 3.3Å; T127-S187 WeakPolarHBondContact CB-O 3.27Å; T127-S187 PolarHBondContact N-O 2.92Å; T127-S187 PolarHBondContact O-N 3.36Å; T127-S187 PolarHBondContact OG1-O 2.8Å |
| 188 | F | 89.9 | Confident | 72.9 | Confident | 47 Ų | 47 | 93.9 Ų | 93.9 | 21% | 0.206 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 158.8 | -176.7 | 58.6 | -92.1 | 0 | 0 | 0 | 112.5 | L124 L125 I126 T173 L176 E177 | L124-F188 HydrophobicContact CD1-CD2 4Å; L124-F188 HydrophobicContact CD2-CB 3.88Å; L124-F188 HydrophobicContact CD2-CD2 4.19Å; L124-F188 HydrophobicContact CD2-CG 4.2Å; L124-F188 HydrophobicContact CG-CB 4.12Å; L124-F188 HydrophobicContact CG-CD2 4.45Å; L125-F188 CarbonylContact O-C 3.57Å; L125-F188 VanDerWaalsContact O-CA 3.29Å; L125-F188 WeakPolarHBondContact O-CA 3.46Å; I126-F188 HydrophobicContact CG1-CB 4.46Å; T173-F188 HydrophobicContact CG2-CD2 4.11Å; T173-F188 HydrophobicContact CG2-CE2 3.64Å; T173-F188 HydrophobicContact CG2-CZ 4.36Å; L176-F188 HydrophobicContact CB-CD1 3.49Å; L176-F188 VanDerWaalsContact CB-CD1 3.49Å; L176-F188 HydrophobicContact CB-CE1 3.48Å; L176-F188 VanDerWaalsContact CB-CE1 3.48Å; L176-F188 HydrophobicContact CB-CG 4.34Å; L176-F188 HydrophobicContact CB-CZ 4.31Å; L176-F188 HydrophobicContact CD1-CB 4.08Å; L176-F188 HydrophobicContact CD1-CD1 3.98Å; L176-F188 HydrophobicContact CD1-CG 4.05Å; L176-F188 HydrophobicContact CG-CD1 4.26Å; E177-F188 HydrophobicContact CB-CZ 4.48Å; E177-F188 HydrophobicContact CG-CE1 4.02Å; E177-F188 HydrophobicContact CG-CZ 3.85Å; E177-F188 WeakPolarHBondContact OE1-CZ 3.16Å |
| 189 | R | 88.3 | Confident | 71.1 | Confident | 196 Ų | 196 | 96.9 Ų | 96.9 | 74% | 0.74 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148 | 140 | 173 | -167.1 | -172.9 | 173.8 | -155.7 | -4.4 | 110.4 | L125 V191 | L125-R189 PolarHBondContact N-O 3.18Å; L125-R189 PolarHBondContact O-N 2.93Å; R189-V191 PolarHBondContact O-N 3.23Å |
| 190 | Q | 87.3 | Confident | 69 | Low | 86 Ų | 86 | 103.6 Ų | 103.6 | 40% | 0.402 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 133.8 | 166.9 | -159.3 | 171.9 | 27.9 | 0 | 0 | 110.5 | C121 Y169 | C121-Q190 PolarHBondContact O-NE2 3.43Å; Y169-Q190 HydrophobicContact CE2-CG 3.99Å; Y169-Q190 WeakPolarHBondContact OH-CB 3.1Å; Y169-Q190 WeakPolarHBondContact OH-CG 3.46Å |
| 191 | V | 81.7 | Confident | 67 | Low | 44 Ų | 44 | 102.4 Ų | 102.4 | 27% | 0.267 | 50% | 0.503 | S | S | . | . | trans | -122 | 98.6 | 170.6 | 176.5 | 0 | 0 | 0 | 0 | 107.8 | S123 L125 F160 R189 R193 | S123-V191 WeakPolarHBondContact CB-O 3.32Å; S123-V191 PolarHBondContact O-N 3.37Å; L125-V191 HydrophobicContact CB-CG2 3.48Å; L125-V191 VanDerWaalsContact CB-CG2 3.48Å; L125-V191 HydrophobicContact CD2-CG2 4.43Å; F160-V191 HydrophobicContact CE2-CB 3.8Å; F160-V191 HydrophobicContact CE2-CG1 3.84Å; F160-V191 HydrophobicContact CE2-CG2 4.18Å; F160-V191 HydrophobicContact CZ-CB 4.17Å; F160-V191 HydrophobicContact CZ-CG1 4.09Å; R189-V191 PolarHBondContact O-N 3.23Å; V191-R193 PolarHBondContact O-N 3.11Å; V191-R193 VanDerWaalsContact O-N 3.17Å | ||
| 192 | T | 70.8 | Confident | 65.2 | Low | 66 Ų | 66 | 106.5 Ų | 106.5 | 41% | 0.405 | 53% | 0.532 | S | S | . | . | trans | -54.9 | 121.2 | 158.4 | 50.1 | 0 | 0 | 0 | 0 | 108 | N120 H194 | N120-T192 WeakPolarHBondContact O-CA 3.33Å; T192-H194 PolarHBondContact O-N 2.86Å | ||
| 193 | R | 57.9 | Low | 63.4 | Low | 119 Ų | 119 | 108.1 Ų | 108.1 | 45% | 0.449 | 54% | 0.535 | S | S | . | . | trans | -67.5 | 108.9 | 160.7 | -69.7 | -177.4 | -179 | -133.4 | 3.7 | 105.3 | N162 V191 D195 | N162-R193 PolarHBondContact OD1-NH2 2.91Å; V191-R193 PolarHBondContact O-N 3.11Å; V191-R193 VanDerWaalsContact O-N 3.17Å; R193-D195 VanDerWaalsContact C-N 3.26Å; R193-D195 PolarHBondContact O-N 3.34Å | ||
| 194 | H | 51 | Low | 62.2 | Low | 136 Ų | 136 | 107.3 Ų | 107.3 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | trans | -61.8 | 106.1 | 150 | -71.6 | -62.4 | 0 | 0 | 0 | 105.6 | T192 K199 | T192-H194 PolarHBondContact O-N 2.86Å; H194-K199 PolarHBondContact CD2-NZ 3.26Å; H194-K199 PolarHBondContact CE1-NZ 2.82Å; H194-K199 VanDerWaalsContact CE1-NZ 3.33Å; H194-K199 VanDerWaalsContact CG-CE 3.41Å; H194-K199 WeakPolarHBondContact ND1-CE 3.5Å; H194-K199 PolarHBondContact NE2-NZ 2.8Å | ||
| 195 | D | 42.8 | Very low | 61 | Low | 97 Ų | 97 | 106.1 Ų | 106.1 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | trans | -52.4 | 161.5 | 158.5 | -87.5 | -32.8 | 0 | 0 | 0 | 109.9 | R193 T197 | R193-D195 VanDerWaalsContact C-N 3.26Å; R193-D195 PolarHBondContact O-N 3.34Å; D195-T197 HydrophobicContact CB-CG2 4.44Å; D195-T197 WeakPolarHBondContact CB-OG1 3.46Å; D195-T197 PolarHBondContact O-N 2.99Å; D195-T197 VanDerWaalsContact O-N 3.15Å | ||
| 196 | K | 44.1 | Very low | 60 | Low | 214 Ų | 214 | 106.3 Ų | 106.3 | 93% | 0.93 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -79.8 | 32.8 | 162.1 | -67.3 | -175.3 | 178.2 | -179.3 | 0 | 111.3 | E198 | K196-E198 PolarHBondContact O-N 3.47Š|
| 197 | T | 40 | Very low | 59.8 | Low | 101 Ų | 101 | 108.3 Ų | 108.3 | 62% | 0.62 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -54.6 | 134.5 | 148.3 | 31.7 | 0 | 0 | 0 | 0 | 107.4 | D195 K199 | D195-T197 HydrophobicContact CB-CG2 4.44Å; D195-T197 WeakPolarHBondContact CB-OG1 3.46Å; D195-T197 PolarHBondContact O-N 2.99Å; D195-T197 VanDerWaalsContact O-N 3.15Å; T197-K199 PolarHBondContact O-N 2.94Å |
| 198 | E | 44.5 | Very low | 59.7 | Low | 185 Ų | 185 | 107.2 Ų | 107.2 | 86% | 0.864 | 51% | 0.509 | S | S | * | . | trans | -57.5 | 113.2 | -175.4 | -67.8 | 158.1 | 155.3 | 0 | 0 | 108.3 | K196 K200 | K196-E198 PolarHBondContact O-N 3.47Å; E198-K200 VanDerWaalsContact C-N 3.32Å; E198-K200 PolarHBondContact O-N 2.92Å | ||
| 199 | K | 43.7 | Very low | 59.6 | Low | 132 Ų | 132 | 105 Ų | 105 | 57% | 0.574 | 50% | 0.499 | S | S | * | . | trans | -68 | 94.8 | -177.8 | -82.2 | -162 | 165.7 | -156.3 | 0 | 108.5 | H194 T197 K201 | H194-K199 PolarHBondContact CD2-NZ 3.26Å; H194-K199 PolarHBondContact CE1-NZ 2.82Å; H194-K199 VanDerWaalsContact CE1-NZ 3.33Å; H194-K199 VanDerWaalsContact CG-CE 3.41Å; H194-K199 WeakPolarHBondContact ND1-CE 3.5Å; H194-K199 PolarHBondContact NE2-NZ 2.8Å; T197-K199 PolarHBondContact O-N 2.94Å; K199-K201 WeakPolarHBondContact O-CA 3.3Å; K199-K201 WeakPolarHBondContact O-CB 3.46Å; K199-K201 PolarHBondContact O-N 3.08Å | ||
| 200 | K | 40.1 | Very low | 59.8 | Low | 191 Ų | 191 | 95.6 Ų | 95.6 | 83% | 0.83 | 46% | 0.464 | S | S | * | . | trans | -29.5 | 103.3 | 175.8 | -69.5 | -163.9 | 170.9 | -159.9 | 0 | 110.3 | E198 | E198-K200 VanDerWaalsContact C-N 3.32Å; E198-K200 PolarHBondContact O-N 2.92Å | ||
| 201 | K | 42.6 | Very low | 59.9 | Low | 92 Ų | 92 | 91.5 Ų | 91.5 | 40% | 0.4 | 45% | 0.445 | S | S | . | . | trans | -104.4 | 113.4 | -166.2 | -173 | 154.5 | 165 | -78.1 | 0 | 106.2 | K199 E203 S204 D205 | K199-K201 WeakPolarHBondContact O-CA 3.3Å; K199-K201 WeakPolarHBondContact O-CB 3.46Å; K199-K201 PolarHBondContact O-N 3.08Å; K201-E203 PolarHBondContact O-N 3.28Å; K201-S204 PolarHBondContact O-N 3.31Å; K201-D205 HydrophobicContact CB-CB 4.2Å; K201-D205 WeakPolarHBondContact CD-OD2 3.18Å; K201-D205 HydrophobicContact CG-CB 4.44Å; K201-D205 IonicContact NZ-OD1 3.2Å; K201-D205 PolarHBondContact NZ-OD1 2.79Å; K201-D205 IonicContact NZ-OD2 3.09Å; K201-D205 PolarHBondContact NZ-OD2 3.07Å | ||
| 202 | P | 42.4 | Very low | 60.4 | Low | 111 Ų | 111 | 93.8 Ų | 93.8 | 72% | 0.721 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 99.3 | -134.9 | 20.9 | -35.2 | 0 | 0 | 0 | 112.8 | S204 | P202-S204 WeakPolarHBondContact O-CB 3.46Å; P202-S204 PolarHBondContact O-N 2.77Å |
| 203 | E | 41.6 | Very low | 61.3 | Low | 164 Ų | 164 | 95 Ų | 95 | 77% | 0.766 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | -0.1 | 177 | -64.8 | 170.6 | 151.5 | 0 | 0 | 116.5 | K201 | K201-E203 PolarHBondContact O-N 3.28Š|
| 204 | S | 52.9 | Low | 62.9 | Low | 45 Ų | 45 | 89.4 Ų | 89.4 | 32% | 0.315 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -11.2 | -161.4 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | K201 P202 R208 | K201-S204 PolarHBondContact O-N 3.31Å; P202-S204 WeakPolarHBondContact O-CB 3.46Å; P202-S204 PolarHBondContact O-N 2.77Å; S204-R208 WeakPolarHBondContact O-CD 3.5Å; S204-R208 VanDerWaalsContact O-CG 3.3Å; S204-R208 WeakPolarHBondContact O-CG 3.26Å; S204-R208 PolarHBondContact O-NE 3.35Å; S204-R208 PolarHBondContact O-NH1 3.3Å; S204-R208 PolarHBondContact OG-NH1 2.83Å; S204-R208 PolarHBondContact OG-NH2 2.88Å |
| 205 | D | 58.2 | Low | 64.7 | Low | 29 Ų | 29 | 83 Ų | 83 | 16% | 0.155 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -92.3 | -20.5 | 168.3 | -84.3 | 34.9 | 0 | 0 | 0 | 112.8 | K201 L207 R208 | K201-D205 HydrophobicContact CB-CB 4.2Å; K201-D205 WeakPolarHBondContact CD-OD2 3.18Å; K201-D205 HydrophobicContact CG-CB 4.44Å; K201-D205 IonicContact NZ-OD1 3.2Å; K201-D205 PolarHBondContact NZ-OD1 2.79Å; K201-D205 IonicContact NZ-OD2 3.09Å; K201-D205 PolarHBondContact NZ-OD2 3.07Å; D205-L207 PolarHBondContact O-N 3.46Å; D205-R208 PolarHBondContact O-N 3.15Å; D205-R208 IonicContact OD1-NH1 2.61Å; D205-R208 PolarHBondContact OD1-NH1 2.81Å |
| 206 | E | 66.4 | Low | 66.9 | Low | 103 Ų | 103 | 85.5 Ų | 85.5 | 48% | 0.481 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -15.9 | -179.3 | -69.5 | 158.7 | -169.6 | 0 | 0 | 112.6 | H254 | E206-H254 PolarHBondContact O-ND1 3Š|
| 207 | L | 81.1 | Confident | 69.1 | Low | 48 Ų | 48 | 79.7 Ų | 79.7 | 25% | 0.251 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 20.4 | 174.5 | -60.3 | 178.4 | 0 | 0 | 0 | 112.9 | D205 E250 F251 C253 H254 L257 | D205-L207 PolarHBondContact O-N 3.46Å; L207-E250 WeakPolarHBondContact O-CA 3.22Å; L207-F251 PolarHBondContact O-N 3.04Å; L207-C253 VanDerWaalsContact CD2-C 3.49Å; L207-H254 HydrophobicContact CD2-CB 4.02Å; L207-L257 VanDerWaalsContact C-CD1 3.4Å |
| 208 | R | 86 | Confident | 71.3 | Confident | 45 Ų | 45 | 75 Ų | 75 | 17% | 0.17 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.3 | -179.5 | -77.7 | 176.5 | 179.8 | 130.1 | 10.2 | 112.7 | S204 D205 L248 L249 E250 L257 G279 | S204-R208 WeakPolarHBondContact O-CD 3.5Å; S204-R208 VanDerWaalsContact O-CG 3.3Å; S204-R208 WeakPolarHBondContact O-CG 3.26Å; S204-R208 PolarHBondContact O-NE 3.35Å; S204-R208 PolarHBondContact O-NH1 3.3Å; S204-R208 PolarHBondContact OG-NH1 2.83Å; S204-R208 PolarHBondContact OG-NH2 2.88Å; D205-R208 PolarHBondContact O-N 3.15Å; D205-R208 IonicContact OD1-NH1 2.61Å; D205-R208 PolarHBondContact OD1-NH1 2.81Å; R208-L248 HydrophobicContact CB-CD1 4.09Å; R208-L248 HydrophobicContact CG-CD1 4.48Å; R208-L249 WeakPolarHBondContact CA-O 3.31Å; R208-E250 HydrophobicContact CG-CB 4.3Å; R208-E250 HydrophobicContact CG-CG 4.19Å; R208-E250 IonicContact CZ-OE1 3.25Å; R208-E250 IonicContact NE-OE1 2.77Å; R208-E250 PolarHBondContact NE-OE1 2.84Å; R208-E250 IonicContact NH2-OE1 3.63Å; R208-E250 PolarHBondContact NH2-OE1 2.75Å; R208-L257 VanDerWaalsContact N-CD1 3.33Å; R208-L257 WeakPolarHBondContact O-CD1 3.18Å; R208-G279 WeakPolarHBondContact O-CA 3.28Å; R208-G279 PolarHBondContact O-N 3.05Å |
| 209 | L | 89.1 | Confident | 73.4 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 120.1 | -179.7 | -164.4 | 67.8 | 0 | 0 | 0 | 110.3 | I211 L249 F251 L257 V260 L261 A276 | L209-I211 HydrophobicContact CD2-CD1 3.82Å; L209-I211 HydrophobicContact CG-CD1 3.96Å; L209-L249 HydrophobicContact CB-CB 4.4Å; L209-L249 PolarHBondContact N-O 3.32Å; L209-L249 PolarHBondContact O-N 2.86Å; L209-F251 HydrophobicContact CB-CE2 3.8Å; L209-F251 HydrophobicContact CD2-CE2 4.18Å; L209-L257 HydrophobicContact CB-CD1 4.31Å; L209-L257 HydrophobicContact CB-CG 4.36Å; L209-L257 HydrophobicContact CD1-CD2 4.41Å; L209-L257 HydrophobicContact CD1-CG 4.33Å; L209-V260 HydrophobicContact CD2-CB 4.28Å; L209-V260 HydrophobicContact CD2-CG1 3.84Å; L209-L261 HydrophobicContact CD1-CB 3.98Å; L209-L261 HydrophobicContact CD1-CD1 3.84Å; L209-L261 HydrophobicContact CD1-CG 4.17Å; L209-L261 HydrophobicContact CD2-CB 4.27Å; L209-A276 HydrophobicContact CD1-CB 4.06Å; L209-A276 HydrophobicContact CD2-CB 4.03Å; L209-A276 HydrophobicContact CG-CB 4.06Å |
| 210 | T | 91.2 | Very high | 75.5 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 112.9 | 174.3 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | R212 C247 L277 G279 H281 F282 | T210-R212 HydrophobicContact CG2-CG 4.15Å; T210-C247 WeakPolarHBondContact CA-O 3.46Å; T210-L277 PolarHBondContact N-O 2.68Å; T210-L277 PolarHBondContact O-N 2.92Å; T210-G279 PolarHBondContact N-O 3.35Å; T210-G279 PolarHBondContact OG1-O 2.74Å; T210-H281 HydrophobicContact CG2-CB 4.05Å; T210-H281 PolarHBondContact OG1-N 3.28Å; T210-F282 HydrophobicContact CG2-CD1 3.76Å; T210-F282 HydrophobicContact CG2-CE1 4.06Å |
| 211 | I | 91 | Very high | 77.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 137.8 | 171.5 | -46.1 | -57.1 | 0 | 0 | 0 | 109.8 | L209 L214 F227 S246 C247 L249 V274 S275 A276 | L209-I211 HydrophobicContact CD2-CD1 3.82Å; L209-I211 HydrophobicContact CG-CD1 3.96Å; I211-L214 HydrophobicContact CB-CD1 4.33Å; I211-L214 HydrophobicContact CG2-CD1 4.21Å; I211-L214 HydrophobicContact CG2-CD2 3.8Å; I211-L214 HydrophobicContact CG2-CG 3.97Å; I211-F227 HydrophobicContact CG1-CZ 4.49Å; I211-S246 CarbonylContact O-C 3.57Å; I211-S246 WeakPolarHBondContact O-CA 3.1Å; I211-S246 WeakPolarHBondContact O-CB 3.41Å; I211-C247 PolarHBondContact N-O 3.08Å; I211-C247 PolarHBondContact O-N 3.35Å; I211-L249 HydrophobicContact CD1-CD1 4.02Å; I211-L249 HydrophobicContact CG1-CD1 3.74Å; I211-L249 HydrophobicContact CG1-CG 3.99Å; I211-V274 HydrophobicContact CG2-CB 3.93Å; I211-V274 HydrophobicContact CG2-CG1 4.44Å; I211-V274 HydrophobicContact CG2-CG2 4.36Å; I211-S275 CarbonylContact C-O 3.52Å; I211-A276 HydrophobicContact CD1-CB 3.67Å |
| 212 | R | 90.9 | Very high | 80.2 | Confident | 91 Ų | 91 | 61 Ų | 61 | 34% | 0.343 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 165.6 | 179.5 | -67.1 | -173.4 | 163.2 | -156.6 | -0.3 | 111.8 | T210 L214 G245 V274 S275 H281 | T210-R212 HydrophobicContact CG2-CG 4.15Å; R212-L214 PolarHBondContact O-N 3.06Å; R212-G245 CarbonylContact C-O 3.56Å; R212-V274 WeakPolarHBondContact O-CA 3.28Å; R212-S275 PolarHBondContact N-O 2.91Å; R212-S275 PolarHBondContact O-N 2.77Å; R212-H281 PolarHBondContact NH2-CD2 3.18Å; R212-H281 VanDerWaalsContact NH2-CD2 3.3Å; R212-H281 PolarHBondContact NH2-CE1 2.83Å; R212-H281 VanDerWaalsContact NH2-CE1 3.35Å; R212-H281 VanDerWaalsContact NH2-CG 3.25Å; R212-H281 PolarHBondContact NH2-ND1 2.88Å; R212-H281 PolarHBondContact NH2-NE2 2.87Å; R212-H281 PolarHBondContact NH2-O 2.85Å |
| 213 | N | 91 | Very high | 82.5 | Confident | 91 Ų | 91 | 55.8 Ų | 55.8 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 63.4 | 23.8 | -176.4 | -159.8 | 40.8 | 0 | 0 | 0 | 114.8 | G245 R272 R273 | N213-G245 PolarHBondContact N-O 3.18Å; N213-R272 WeakPolarHBondContact O-CB 3.28Å; N213-R272 WeakPolarHBondContact O-CD 3.21Å; N213-R273 PolarHBondContact ND2-O 2.95Å |
| 214 | L | 90.8 | Very high | 84.8 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | trans | -66.5 | 150.7 | 172.6 | -63 | 170.5 | 0 | 0 | 0 | 111 | I211 R212 I218 L223 G245 C247 I269 V274 | I211-L214 HydrophobicContact CB-CD1 4.33Å; I211-L214 HydrophobicContact CG2-CD1 4.21Å; I211-L214 HydrophobicContact CG2-CD2 3.8Å; I211-L214 HydrophobicContact CG2-CG 3.97Å; R212-L214 PolarHBondContact O-N 3.06Å; L214-I218 HydrophobicContact CB-CD1 4.44Å; L214-I218 HydrophobicContact CB-CG2 4.21Å; L214-I218 HydrophobicContact CD2-CD1 3.97Å; L214-L223 HydrophobicContact CD1-CD1 4.27Å; L214-L223 HydrophobicContact CD1-CD2 3.93Å; L214-L223 HydrophobicContact CD2-CD2 4.16Å; L214-G245 PolarHBondContact N-O 3.02Å; L214-G245 WeakPolarHBondContact O-CA 3.42Å; L214-C247 HydrophobicContact CD1-CB 4.03Å; L214-I269 HydrophobicContact CD2-CD1 4Å; L214-V274 HydrophobicContact CD2-CG1 3.77Å | ||
| 215 | P | 88.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -52.9 | 139.5 | 169.1 | -24 | 33.5 | 0 | 0 | 0 | 112.2 | S217 I218 I269 | P215-S217 PolarHBondContact O-N 3.3Å; P215-I218 HydrophobicContact CB-CB 4.42Å; P215-I218 WeakPolarHBondContact O-CB 3.28Å; P215-I218 VanDerWaalsContact O-CG2 3.23Å; P215-I218 WeakPolarHBondContact O-CG2 3.36Å; P215-I218 PolarHBondContact O-N 2.72Å; P215-I269 HydrophobicContact CG-CG2 4.32Å | ||
| 216 | Y | 89.9 | Confident | 87.8 | Confident | 151 Ų | 151 | 57.5 Ų | 57.5 | 59% | 0.592 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.6 | 175.5 | -60.5 | -59.5 | 0 | 0 | 0 | 113.1 | N243 | Y216-N243 WeakPolarHBondContact CD1-O 3.48Å; Y216-N243 WeakPolarHBondContact O-CB 3.24Å; Y216-N243 PolarHBondContact O-ND2 2.94Å |
| 217 | S | 88.6 | Confident | 88.9 | Confident | 92 Ų | 92 | 53 Ų | 53 | 64% | 0.643 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -15.2 | 175.5 | 49.9 | 0 | 0 | 0 | 0 | 114.6 | P215 T219 | P215-S217 PolarHBondContact O-N 3.3Å; S217-T219 PolarHBondContact O-N 3.21Å |
| 218 | I | 86.8 | Confident | 89.2 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | trans | -59.7 | 130.6 | -166.6 | -158.8 | 170 | 0 | 0 | 0 | 112.2 | L214 P215 E222 L223 N243 I269 | L214-I218 HydrophobicContact CB-CD1 4.44Å; L214-I218 HydrophobicContact CB-CG2 4.21Å; L214-I218 HydrophobicContact CD2-CD1 3.97Å; P215-I218 HydrophobicContact CB-CB 4.42Å; P215-I218 WeakPolarHBondContact O-CB 3.28Å; P215-I218 VanDerWaalsContact O-CG2 3.23Å; P215-I218 WeakPolarHBondContact O-CG2 3.36Å; P215-I218 PolarHBondContact O-N 2.72Å; I218-E222 HydrophobicContact CG1-CB 3.83Å; I218-E222 WeakPolarHBondContact CG1-OE2 3.38Å; I218-L223 HydrophobicContact CD1-CD1 4.35Å; I218-L223 HydrophobicContact CD1-CD2 3.61Å; I218-L223 HydrophobicContact CD1-CG 3.65Å; I218-L223 HydrophobicContact CG1-CG 4.08Å; I218-L223 HydrophobicContact CG2-CD1 4.35Å; I218-N243 PolarHBondContact O-ND2 3.02Å; I218-I269 HydrophobicContact CD1-CG2 3.99Å | ||
| 219 | T | 88.8 | Confident | 89.2 | Confident | 59 Ų | 59 | 56.8 Ų | 56.8 | 36% | 0.362 | 30% | 0.296 | S | S | . | . | trans | -84.7 | 171.5 | 174.6 | 61 | 0 | 0 | 0 | 0 | 112.1 | S217 T221 E222 L223 | S217-T219 PolarHBondContact O-N 3.21Å; T219-T221 PolarHBondContact OG1-OG1 3.33Å; T219-E222 VanDerWaalsContact CB-OE1 3.24Å; T219-E222 WeakPolarHBondContact CB-OE1 3.4Å; T219-E222 WeakPolarHBondContact CG2-OE1 3.42Å; T219-E222 PolarHBondContact N-OE1 3Å; T219-E222 VanDerWaalsContact OG1-CD 3.25Å; T219-E222 VanDerWaalsContact OG1-CG 3.31Å; T219-E222 WeakPolarHBondContact OG1-CG 3.18Å; T219-E222 PolarHBondContact OG1-N 2.65Å; T219-E222 PolarHBondContact OG1-OE1 3.06Å; T219-L223 PolarHBondContact O-N 3.17Å | ||
| 220 | K | 88.7 | Confident | 89.1 | Confident | 94 Ų | 94 | 57.6 Ų | 57.6 | 41% | 0.409 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.8 | -38.1 | 172.8 | -171.7 | 176.5 | 166 | -73.9 | 0 | 111.2 | L223 E224 I235 | K220-L223 WeakPolarHBondContact O-CB 3.49Å; K220-L223 PolarHBondContact O-N 3.41Å; K220-L223 VanDerWaalsContact O-N 3.14Å; K220-E224 IonicContact NZ-OE1 3.57Å; K220-E224 PolarHBondContact NZ-OE1 2.98Å; K220-E224 IonicContact NZ-OE2 2.77Å; K220-E224 PolarHBondContact NZ-OE2 3.1Å; K220-E224 WeakPolarHBondContact O-CG 3.19Å; K220-E224 PolarHBondContact O-N 3.1Å; K220-I235 HydrophobicContact CB-CD1 4.07Å |
| 221 | T | 89.9 | Confident | 88.9 | Confident | 87 Ų | 87 | 63.7 Ų | 63.7 | 53% | 0.534 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 174.9 | 38.9 | 0 | 0 | 0 | 0 | 112.1 | T219 L223 E224 D225 | T219-T221 PolarHBondContact OG1-OG1 3.33Å; T221-L223 PolarHBondContact O-N 2.73Å; T221-L223 VanDerWaalsContact O-N 3.15Å; T221-E224 WeakPolarHBondContact O-CA 3.4Å; T221-E224 PolarHBondContact O-N 2.96Å; T221-D225 PolarHBondContact O-N 3.24Å |
| 222 | E | 90.3 | Very high | 88.6 | Confident | 66 Ų | 66 | 65.1 Ų | 65.1 | 31% | 0.308 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -55.9 | -33.9 | 173.8 | -77.7 | 156.9 | -106.7 | 0 | 0 | 112.7 | I218 T219 E226 | I218-E222 HydrophobicContact CG1-CB 3.83Å; I218-E222 WeakPolarHBondContact CG1-OE2 3.38Å; T219-E222 VanDerWaalsContact CB-OE1 3.24Å; T219-E222 WeakPolarHBondContact CB-OE1 3.4Å; T219-E222 WeakPolarHBondContact CG2-OE1 3.42Å; T219-E222 PolarHBondContact N-OE1 3Å; T219-E222 VanDerWaalsContact OG1-CD 3.25Å; T219-E222 VanDerWaalsContact OG1-CG 3.31Å; T219-E222 WeakPolarHBondContact OG1-CG 3.18Å; T219-E222 PolarHBondContact OG1-N 2.65Å; T219-E222 PolarHBondContact OG1-OE1 3.06Å; E222-E226 WeakPolarHBondContact O-CB 3.29Å; E222-E226 WeakPolarHBondContact O-CG 3.44Å; E222-E226 PolarHBondContact O-N 3.12Å |
| 223 | L | 90.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -78.6 | -25.8 | 176 | -77.1 | 168.7 | 0 | 0 | 0 | 113.6 | L214 I218 T219 K220 T221 F227 I233 I235 C247 | L214-L223 HydrophobicContact CD1-CD1 4.27Å; L214-L223 HydrophobicContact CD1-CD2 3.93Å; L214-L223 HydrophobicContact CD2-CD2 4.16Å; I218-L223 HydrophobicContact CD1-CD1 4.35Å; I218-L223 HydrophobicContact CD1-CD2 3.61Å; I218-L223 HydrophobicContact CD1-CG 3.65Å; I218-L223 HydrophobicContact CG1-CG 4.08Å; I218-L223 HydrophobicContact CG2-CD1 4.35Å; T219-L223 PolarHBondContact O-N 3.17Å; K220-L223 WeakPolarHBondContact O-CB 3.49Å; K220-L223 PolarHBondContact O-N 3.41Å; K220-L223 VanDerWaalsContact O-N 3.14Å; T221-L223 PolarHBondContact O-N 2.73Å; T221-L223 VanDerWaalsContact O-N 3.15Å; L223-F227 HydrophobicContact CD2-CD2 3.85Å; L223-F227 HydrophobicContact CD2-CE2 3.73Å; L223-F227 WeakPolarHBondContact O-CB 3.32Å; L223-F227 WeakPolarHBondContact O-CD2 3.31Å; L223-F227 PolarHBondContact O-N 3.04Å; L223-I233 HydrophobicContact CB-CD1 4.02Å; L223-I233 HydrophobicContact CB-CG2 3.92Å; L223-I233 HydrophobicContact CD1-CG2 4.01Å; L223-I233 VanDerWaalsContact O-CD1 3.22Å; L223-I233 WeakPolarHBondContact O-CD1 3.46Å; L223-I235 HydrophobicContact CD1-CD1 3.91Å; L223-I235 HydrophobicContact CD1-CG1 3.81Å; L223-C247 HydrophobicContact CD1-CB 3.89Å |
| 224 | E | 90.5 | Very high | 88.3 | Confident | 79 Ų | 79 | 59.3 Ų | 59.3 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -75.7 | -40.3 | 174.4 | -69.9 | 173.2 | 126.4 | 0 | 0 | 110.3 | K220 T221 F227 P228 I233 | K220-E224 IonicContact NZ-OE1 3.57Å; K220-E224 PolarHBondContact NZ-OE1 2.98Å; K220-E224 IonicContact NZ-OE2 2.77Å; K220-E224 PolarHBondContact NZ-OE2 3.1Å; K220-E224 WeakPolarHBondContact O-CG 3.19Å; K220-E224 PolarHBondContact O-N 3.1Å; T221-E224 WeakPolarHBondContact O-CA 3.4Å; T221-E224 PolarHBondContact O-N 2.96Å; E224-F227 CarbonylContact O-C 3.56Å; E224-P228 WeakPolarHBondContact O-CA 3.5Å; E224-I233 HydrophobicContact CB-CD1 4.48Å; E224-I233 HydrophobicContact CG-CD1 3.75Å; E224-I233 HydrophobicContact CG-CG1 4.44Å |
| 225 | D | 88.7 | Confident | 88.3 | Confident | 131 Ų | 131 | 60.8 Ų | 60.8 | 70% | 0.701 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.8 | -40.3 | 172.2 | -60.4 | -37.1 | 0 | 0 | 0 | 111.9 | T221 | T221-D225 PolarHBondContact O-N 3.24Å |
| 226 | E | 86.2 | Confident | 88.3 | Confident | 65 Ų | 65 | 61.3 Ų | 61.3 | 30% | 0.304 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -80.6 | -18.1 | -179.5 | -72.3 | -85.2 | -134.8 | 0 | 0 | 114.1 | E222 K267 I269 | E222-E226 WeakPolarHBondContact O-CB 3.29Å; E222-E226 WeakPolarHBondContact O-CG 3.44Å; E222-E226 PolarHBondContact O-N 3.12Å; E226-K267 PolarHBondContact O-NZ 2.97Å; E226-K267 WeakPolarHBondContact OE2-CE 3.24Å; E226-K267 IonicContact OE2-NZ 2.71Å; E226-K267 PolarHBondContact OE2-NZ 3.21Å; E226-I269 HydrophobicContact CB-CD1 4.22Å; E226-I269 HydrophobicContact CG-CD1 4.12Å; E226-I269 WeakPolarHBondContact OE1-CG1 3.11Å |
| 227 | F | 88.3 | Confident | 88.1 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | trans | -140.8 | 61.3 | -178.8 | -57.5 | -69.1 | 0 | 0 | 0 | 112.4 | I211 L223 E224 T229 A230 L249 V260 C264 K267 I269 | I211-F227 HydrophobicContact CG1-CZ 4.49Å; L223-F227 HydrophobicContact CD2-CD2 3.85Å; L223-F227 HydrophobicContact CD2-CE2 3.73Å; L223-F227 WeakPolarHBondContact O-CB 3.32Å; L223-F227 WeakPolarHBondContact O-CD2 3.31Å; L223-F227 PolarHBondContact O-N 3.04Å; E224-F227 CarbonylContact O-C 3.56Å; F227-T229 PolarHBondContact O-N 3.28Å; F227-T229 VanDerWaalsContact O-N 3.1Å; F227-A230 HydrophobicContact CB-CB 4.28Å; F227-A230 VanDerWaalsContact O-CB 3.31Å; F227-A230 WeakPolarHBondContact O-CB 3.47Å; F227-A230 PolarHBondContact O-N 3.23Å; F227-L249 HydrophobicContact CB-CD1 3.93Å; F227-L249 HydrophobicContact CB-CD2 4.31Å; F227-L249 HydrophobicContact CD1-CD1 3.86Å; F227-L249 HydrophobicContact CD2-CD1 3.92Å; F227-L249 HydrophobicContact CD2-CD2 4.27Å; F227-L249 HydrophobicContact CE1-CD1 4.37Å; F227-L249 HydrophobicContact CE2-CD1 4.4Å; F227-L249 HydrophobicContact CG-CD1 3.62Å; F227-L249 HydrophobicContact CG-CD2 4.43Å; F227-V260 HydrophobicContact CD1-CG1 3.6Å; F227-V260 HydrophobicContact CE1-CG1 3.83Å; F227-C264 WeakPolarHBondContact CE1-SG 3.01Å; F227-K267 HydrophobicContact CE1-CD 4.29Å; F227-K267 HydrophobicContact CZ-CD 4.39Å; F227-I269 HydrophobicContact CE2-CD1 4.01Å; F227-I269 HydrophobicContact CZ-CD1 4.11Å | ||
| 228 | P | 87.4 | Confident | 87.9 | Confident | 107 Ų | 107 | 57.1 Ų | 57.1 | 70% | 0.695 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.2 | -173.8 | 25.9 | -35.9 | 0 | 0 | 0 | 114 | E224 A230 | E224-P228 WeakPolarHBondContact O-CA 3.5Å; P228-A230 PolarHBondContact O-N 3.48Å |
| 229 | T | 86.5 | Confident | 87.7 | Confident | 67 Ų | 67 | 66.4 Ų | 66.4 | 41% | 0.411 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -10.1 | 175.2 | -23.7 | 0 | 0 | 0 | 0 | 113.5 | F227 K231 F251 D256 | F227-T229 PolarHBondContact O-N 3.28Å; F227-T229 VanDerWaalsContact O-N 3.1Å; T229-K231 PolarHBondContact O-N 2.94Å; T229-F251 VanDerWaalsContact O-CD1 3.31Å; T229-F251 WeakPolarHBondContact O-CD1 3.42Å; T229-D256 HydrophobicContact CG2-CB 3.76Å; T229-D256 WeakPolarHBondContact CG2-OD1 3.19Å |
| 230 | A | 86.3 | Confident | 87.3 | Confident | 17 Ų | 17 | 68.8 Ų | 68.8 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | trans | -81.8 | 114.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | F227 P228 S232 I233 L249 E250 F251 | F227-A230 HydrophobicContact CB-CB 4.28Å; F227-A230 VanDerWaalsContact O-CB 3.31Å; F227-A230 WeakPolarHBondContact O-CB 3.47Å; F227-A230 PolarHBondContact O-N 3.23Å; P228-A230 PolarHBondContact O-N 3.48Å; A230-S232 VanDerWaalsContact C-N 3.27Å; A230-S232 PolarHBondContact O-N 2.8Å; A230-I233 HydrophobicContact CB-CD1 4.07Å; A230-I233 HydrophobicContact CB-CG1 3.94Å; A230-L249 HydrophobicContact CB-CB 4.04Å; A230-L249 HydrophobicContact CB-CD2 3.94Å; A230-L249 HydrophobicContact CB-CG 4.38Å; A230-E250 CarbonylContact C-O 3.57Å; A230-F251 HydrophobicContact CB-CE1 4.01Å; A230-F251 HydrophobicContact CB-CZ 4.22Å | ||
| 231 | K | 86.6 | Confident | 86.9 | Confident | 128 Ų | 128 | 66.7 Ų | 66.7 | 56% | 0.557 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -64.5 | -26.3 | 178.3 | -177.4 | 166.8 | -179.3 | 156.1 | 0 | 113.8 | T229 E250 E252 | T229-K231 PolarHBondContact O-N 2.94Å; K231-E250 WeakPolarHBondContact CA-O 3.4Å; K231-E250 WeakPolarHBondContact CB-O 3.49Å; K231-E250 PolarHBondContact N-O 3.22Å; K231-E252 HydrophobicContact CD-CB 4.3Å; K231-E252 IonicContact NZ-OE1 2.56Å; K231-E252 PolarHBondContact NZ-OE1 3.05Å; K231-E252 IonicContact NZ-OE2 3.04Å; K231-E252 PolarHBondContact NZ-OE2 3.28Å |
| 232 | S | 84.7 | Confident | 86.6 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 21% | 0.21 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 140.7 | 173.4 | -176 | 0 | 0 | 0 | 0 | 111.3 | A230 L249 E250 | A230-S232 VanDerWaalsContact C-N 3.27Å; A230-S232 PolarHBondContact O-N 2.8Å; S232-L249 WeakPolarHBondContact O-CA 3.13Å; S232-E250 PolarHBondContact N-O 2.95Å; S232-E250 PolarHBondContact O-N 2.87Å |
| 233 | I | 88.9 | Confident | 86.5 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 6% | 0.062 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 116.5 | -178.6 | -54.7 | -164.8 | 0 | 0 | 0 | 110.1 | L223 E224 A230 L248 L249 | L223-I233 HydrophobicContact CB-CD1 4.02Å; L223-I233 HydrophobicContact CB-CG2 3.92Å; L223-I233 HydrophobicContact CD1-CG2 4.01Å; L223-I233 VanDerWaalsContact O-CD1 3.22Å; L223-I233 WeakPolarHBondContact O-CD1 3.46Å; E224-I233 HydrophobicContact CB-CD1 4.48Å; E224-I233 HydrophobicContact CG-CD1 3.75Å; E224-I233 HydrophobicContact CG-CG1 4.44Å; A230-I233 HydrophobicContact CB-CD1 4.07Å; A230-I233 HydrophobicContact CB-CG1 3.94Å; I233-L248 WeakPolarHBondContact CA-O 3.18Å; I233-L249 HydrophobicContact CB-CD2 4.29Å; I233-L249 HydrophobicContact CD1-CD2 3.71Å; I233-L249 HydrophobicContact CG1-CD2 3.67Å; I233-L249 HydrophobicContact CG2-CD2 4Å |
| 234 | I | 88 | Confident | 86.4 | Confident | 47 Ų | 47 | 68 Ų | 68 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 108 | -178.2 | -53.9 | 179.4 | 0 | 0 | 0 | 109.9 | C247 L248 | I234-C247 CarbonylContact O-C 3.42Å; I234-C247 VanDerWaalsContact O-CA 3.27Å; I234-C247 WeakPolarHBondContact O-CA 3.32Å; I234-L248 HydrophobicContact CB-CB 4.3Å; I234-L248 HydrophobicContact CD1-CD2 4.42Å; I234-L248 PolarHBondContact N-O 3.14Å; I234-L248 PolarHBondContact O-N 3.46Å |
| 235 | I | 89.4 | Confident | 86.3 | Confident | 34 Ų | 34 | 64.5 Ų | 64.5 | 17% | 0.174 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 134.7 | 178.9 | -54.7 | 179.1 | 0 | 0 | 0 | 111.1 | K220 L223 T237 N243 C247 | K220-I235 HydrophobicContact CB-CD1 4.07Å; L223-I235 HydrophobicContact CD1-CD1 3.91Å; L223-I235 HydrophobicContact CD1-CG1 3.81Å; I235-T237 HydrophobicContact CG2-CG2 4.44Å; I235-T237 PolarHBondContact O-N 2.79Å; I235-T237 VanDerWaalsContact O-N 3.11Å; I235-N243 HydrophobicContact CG2-CB 4.28Å; I235-N243 VanDerWaalsContact CG2-OD1 3.3Å; I235-N243 WeakPolarHBondContact CG2-OD1 3.49Å; I235-C247 HydrophobicContact CG1-CB 4.42Å |
| 236 | N | 88.7 | Confident | 86.4 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 6% | 0.064 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 90.4 | -179.2 | -173.2 | 4.9 | 0 | 0 | 0 | 111.5 | K244 S246 F282 | N236-K244 HydrophobicContact CB-CB 4.48Å; N236-K244 VanDerWaalsContact O-CB 3.26Å; N236-K244 WeakPolarHBondContact O-CB 3.48Å; N236-K244 VanDerWaalsContact O-CG 3.28Å; N236-K244 WeakPolarHBondContact O-CG 3.49Å; N236-K244 PolarHBondContact O-N 3.13Å; N236-K244 WeakPolarHBondContact OD1-CD 3.36Å; N236-K244 VanDerWaalsContact OD1-CE 3.31Å; N236-K244 WeakPolarHBondContact OD1-CE 3.24Å; N236-K244 PolarHBondContact OD1-NZ 2.92Å; N236-S246 WeakPolarHBondContact CB-O 3.41Å; N236-S246 WeakPolarHBondContact CB-OG 3.31Å; N236-S246 PolarHBondContact N-O 3.42Å; N236-S246 PolarHBondContact ND2-OG 2.82Å; N236-F282 HydrophobicContact CB-CD1 4.43Å; N236-F282 HydrophobicContact CB-CD2 3.85Å; N236-F282 HydrophobicContact CB-CE1 4.26Å; N236-F282 HydrophobicContact CB-CE2 3.65Å; N236-F282 HydrophobicContact CB-CG 4.24Å; N236-F282 HydrophobicContact CB-CZ 3.87Å; N236-F282 WeakPolarHBondContact ND2-CG 3.35Å |
| 237 | T | 87.5 | Confident | 86.6 | Confident | 54 Ų | 54 | 55.8 Ų | 55.8 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 150.7 | -177.4 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | I235 G241 K244 K285 | I235-T237 HydrophobicContact CG2-CG2 4.44Å; I235-T237 PolarHBondContact O-N 2.79Å; I235-T237 VanDerWaalsContact O-N 3.11Å; T237-G241 WeakPolarHBondContact CB-O 3.49Å; T237-G241 VanDerWaalsContact CG2-O 3.29Å; T237-G241 WeakPolarHBondContact CG2-O 3.36Å; T237-K244 VanDerWaalsContact O-CE 3.32Å; T237-K244 WeakPolarHBondContact O-CE 3.47Å; T237-K285 PolarHBondContact O-NZ 3.22Å |
| 238 | K | 83.4 | Confident | 86.7 | Confident | 101 Ų | 101 | 55.6 Ų | 55.6 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | trans | -73.2 | 168.2 | 166.2 | -66.6 | 178 | -175.3 | 170.7 | 0 | 110 | T240 G241 V242 K244 | K238-T240 WeakPolarHBondContact CB-OG1 3.48Å; K238-T240 PolarHBondContact O-N 2.86Å; K238-G241 PolarHBondContact O-N 3.13Å; K238-V242 WeakPolarHBondContact CB-O 3.39Å; K238-V242 HydrophobicContact CD-CB 4.35Å; K238-V242 WeakPolarHBondContact CG-O 3.4Å; K238-V242 PolarHBondContact N-O 3.26Å; K238-K244 HydrophobicContact CG-CD 4.4Å; K238-K244 HydrophobicContact CG-CG 3.73Å | ||
| 239 | K | 82.2 | Confident | 86.9 | Confident | 198 Ų | 198 | 50.5 Ų | 50.5 | 86% | 0.861 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -9.8 | 171.5 | -66.5 | -173 | 178.9 | -177.4 | 0 | 113.3 | ||
| 240 | T | 80.6 | Confident | 87 | Confident | 108 Ų | 108 | 49.8 Ų | 49.8 | 66% | 0.663 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 17.7 | 179.6 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | K238 V242 | K238-T240 WeakPolarHBondContact CB-OG1 3.48Å; K238-T240 PolarHBondContact O-N 2.86Å; T240-V242 PolarHBondContact O-N 2.91Å |
| 241 | G | 80.7 | Confident | 87 | Confident | 50 Ų | 50 | 49.2 Ų | 49.2 | 52% | 0.515 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 75.3 | -37.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T237 K238 N243 | T237-G241 WeakPolarHBondContact CB-O 3.49Å; T237-G241 VanDerWaalsContact CG2-O 3.29Å; T237-G241 WeakPolarHBondContact CG2-O 3.36Å; K238-G241 PolarHBondContact O-N 3.13Å; G241-N243 PolarHBondContact O-N 2.89Å |
| 242 | V | 83.1 | Confident | 86.9 | Confident | 78 Ų | 78 | 49.5 Ų | 49.5 | 47% | 0.473 | 27% | 0.265 | S | S | . | . | trans | -51.6 | 128.1 | -176.4 | -178 | 0 | 0 | 0 | 0 | 113.1 | K238 T240 | K238-V242 WeakPolarHBondContact CB-O 3.39Å; K238-V242 HydrophobicContact CD-CB 4.35Å; K238-V242 WeakPolarHBondContact CG-O 3.4Å; K238-V242 PolarHBondContact N-O 3.26Å; T240-V242 PolarHBondContact O-N 2.91Å | ||
| 243 | N | 87.7 | Confident | 86.9 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 148.8 | 176.4 | -63.3 | -24.6 | 0 | 0 | 0 | 112.5 | Y216 I218 I235 G241 | Y216-N243 WeakPolarHBondContact CD1-O 3.48Å; Y216-N243 WeakPolarHBondContact O-CB 3.24Å; Y216-N243 PolarHBondContact O-ND2 2.94Å; I218-N243 PolarHBondContact O-ND2 3.02Å; I235-N243 HydrophobicContact CG2-CB 4.28Å; I235-N243 VanDerWaalsContact CG2-OD1 3.3Å; I235-N243 WeakPolarHBondContact CG2-OD1 3.49Å; G241-N243 PolarHBondContact O-N 2.89Å |
| 244 | K | 89 | Confident | 86.7 | Confident | 76 Ų | 76 | 54.7 Ų | 54.7 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 18.3 | 173.2 | -59.5 | -177.4 | -150.9 | 151.6 | 0 | 113.8 | N236 T237 K238 S246 | N236-K244 HydrophobicContact CB-CB 4.48Å; N236-K244 VanDerWaalsContact O-CB 3.26Å; N236-K244 WeakPolarHBondContact O-CB 3.48Å; N236-K244 VanDerWaalsContact O-CG 3.28Å; N236-K244 WeakPolarHBondContact O-CG 3.49Å; N236-K244 PolarHBondContact O-N 3.13Å; N236-K244 WeakPolarHBondContact OD1-CD 3.36Å; N236-K244 VanDerWaalsContact OD1-CE 3.31Å; N236-K244 WeakPolarHBondContact OD1-CE 3.24Å; N236-K244 PolarHBondContact OD1-NZ 2.92Å; T237-K244 VanDerWaalsContact O-CE 3.32Å; T237-K244 WeakPolarHBondContact O-CE 3.47Å; K238-K244 HydrophobicContact CG-CD 4.4Å; K238-K244 HydrophobicContact CG-CG 3.73Å; K244-S246 VanDerWaalsContact C-N 3.27Å; K244-S246 PolarHBondContact O-N 2.85Å; K244-S246 PolarHBondContact O-OG 3.15Å |
| 245 | G | 88.9 | Confident | 86.6 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 62.2 | 34.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R212 N213 L214 | R212-G245 CarbonylContact C-O 3.56Å; N213-G245 PolarHBondContact N-O 3.18Å; L214-G245 PolarHBondContact N-O 3.02Å; L214-G245 WeakPolarHBondContact O-CA 3.42Å |
| 246 | S | 90 | Very high | 86.5 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 149.6 | 175.2 | 35.6 | 0 | 0 | 0 | 0 | 111.1 | I211 N236 K244 | I211-S246 CarbonylContact O-C 3.57Å; I211-S246 WeakPolarHBondContact O-CA 3.1Å; I211-S246 WeakPolarHBondContact O-CB 3.41Å; N236-S246 WeakPolarHBondContact CB-O 3.41Å; N236-S246 WeakPolarHBondContact CB-OG 3.31Å; N236-S246 PolarHBondContact N-O 3.42Å; N236-S246 PolarHBondContact ND2-OG 2.82Å; K244-S246 VanDerWaalsContact C-N 3.27Å; K244-S246 PolarHBondContact O-N 2.85Å; K244-S246 PolarHBondContact O-OG 3.15Å |
| 247 | C | 90.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 168.5 | 171.4 | 72.1 | 0 | 0 | 0 | 0 | 110.1 | T210 I211 L214 L223 I234 I235 | T210-C247 WeakPolarHBondContact CA-O 3.46Å; I211-C247 PolarHBondContact N-O 3.08Å; I211-C247 PolarHBondContact O-N 3.35Å; L214-C247 HydrophobicContact CD1-CB 4.03Å; L223-C247 HydrophobicContact CD1-CB 3.89Å; I234-C247 CarbonylContact O-C 3.42Å; I234-C247 VanDerWaalsContact O-CA 3.27Å; I234-C247 WeakPolarHBondContact O-CA 3.32Å; I235-C247 HydrophobicContact CG1-CB 4.42Å |
| 248 | L | 90.7 | Very high | 86.3 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.5 | 166.1 | -173.7 | 74.8 | 0 | 0 | 0 | 107.6 | R208 I233 I234 L280 F282 I284 | R208-L248 HydrophobicContact CB-CD1 4.09Å; R208-L248 HydrophobicContact CG-CD1 4.48Å; I233-L248 WeakPolarHBondContact CA-O 3.18Å; I234-L248 HydrophobicContact CB-CB 4.3Å; I234-L248 HydrophobicContact CD1-CD2 4.42Å; I234-L248 PolarHBondContact N-O 3.14Å; I234-L248 PolarHBondContact O-N 3.46Å; L248-L280 HydrophobicContact CD1-CB 4.45Å; L248-L280 HydrophobicContact CD1-CD1 3.77Å; L248-L280 HydrophobicContact CD2-CD1 4.03Å; L248-L280 HydrophobicContact CG-CD1 4.41Å; L248-F282 HydrophobicContact CB-CE1 3.85Å; L248-F282 HydrophobicContact CB-CZ 3.78Å; L248-I284 HydrophobicContact CD2-CD1 3.78Å |
| 249 | L | 90.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 145.4 | 165 | -51.6 | 178.4 | 0 | 0 | 0 | 108.2 | R208 L209 I211 F227 A230 S232 I233 F251 V260 | R208-L249 WeakPolarHBondContact CA-O 3.31Å; L209-L249 HydrophobicContact CB-CB 4.4Å; L209-L249 PolarHBondContact N-O 3.32Å; L209-L249 PolarHBondContact O-N 2.86Å; I211-L249 HydrophobicContact CD1-CD1 4.02Å; I211-L249 HydrophobicContact CG1-CD1 3.74Å; I211-L249 HydrophobicContact CG1-CG 3.99Å; F227-L249 HydrophobicContact CB-CD1 3.93Å; F227-L249 HydrophobicContact CB-CD2 4.31Å; F227-L249 HydrophobicContact CD1-CD1 3.86Å; F227-L249 HydrophobicContact CD2-CD1 3.92Å; F227-L249 HydrophobicContact CD2-CD2 4.27Å; F227-L249 HydrophobicContact CE1-CD1 4.37Å; F227-L249 HydrophobicContact CE2-CD1 4.4Å; F227-L249 HydrophobicContact CG-CD1 3.62Å; F227-L249 HydrophobicContact CG-CD2 4.43Å; A230-L249 HydrophobicContact CB-CB 4.04Å; A230-L249 HydrophobicContact CB-CD2 3.94Å; A230-L249 HydrophobicContact CB-CG 4.38Å; S232-L249 WeakPolarHBondContact O-CA 3.13Å; I233-L249 HydrophobicContact CB-CD2 4.29Å; I233-L249 HydrophobicContact CD1-CD2 3.71Å; I233-L249 HydrophobicContact CG1-CD2 3.67Å; I233-L249 HydrophobicContact CG2-CD2 4Å; L249-F251 HydrophobicContact CB-CE2 3.62Å; L249-F251 HydrophobicContact CB-CZ 3.81Å; L249-F251 HydrophobicContact CD1-CE2 4.36Å; L249-F251 HydrophobicContact CD1-CZ 3.91Å; L249-V260 HydrophobicContact CD1-CG1 4.21Å |
| 250 | E | 88.6 | Confident | 86.7 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.1 | 176.5 | -176.8 | 165.9 | -111.6 | 0 | 0 | 107.7 | L207 R208 A230 K231 S232 | L207-E250 WeakPolarHBondContact O-CA 3.22Å; R208-E250 HydrophobicContact CG-CB 4.3Å; R208-E250 HydrophobicContact CG-CG 4.19Å; R208-E250 IonicContact CZ-OE1 3.25Å; R208-E250 IonicContact NE-OE1 2.77Å; R208-E250 PolarHBondContact NE-OE1 2.84Å; R208-E250 IonicContact NH2-OE1 3.63Å; R208-E250 PolarHBondContact NH2-OE1 2.75Å; A230-E250 CarbonylContact C-O 3.57Å; K231-E250 WeakPolarHBondContact CA-O 3.4Å; K231-E250 WeakPolarHBondContact CB-O 3.49Å; K231-E250 PolarHBondContact N-O 3.22Å; S232-E250 PolarHBondContact N-O 2.95Å; S232-E250 PolarHBondContact O-N 2.87Å |
| 251 | F | 87.7 | Confident | 87.1 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | trans | -114.2 | 167.8 | -171.9 | -65.3 | -83.3 | 0 | 0 | 0 | 111.8 | L207 L209 T229 A230 L249 D256 L257 V260 | L207-F251 PolarHBondContact O-N 3.04Å; L209-F251 HydrophobicContact CB-CE2 3.8Å; L209-F251 HydrophobicContact CD2-CE2 4.18Å; T229-F251 VanDerWaalsContact O-CD1 3.31Å; T229-F251 WeakPolarHBondContact O-CD1 3.42Å; A230-F251 HydrophobicContact CB-CE1 4.01Å; A230-F251 HydrophobicContact CB-CZ 4.22Å; L249-F251 HydrophobicContact CB-CE2 3.62Å; L249-F251 HydrophobicContact CB-CZ 3.81Å; L249-F251 HydrophobicContact CD1-CE2 4.36Å; L249-F251 HydrophobicContact CD1-CZ 3.91Å; F251-D256 HydrophobicContact CB-CB 4.34Å; F251-D256 HydrophobicContact CD1-CB 3.8Å; F251-D256 HydrophobicContact CG-CB 4.31Å; F251-L257 HydrophobicContact CB-CB 4.38Å; F251-L257 HydrophobicContact CD2-CB 3.76Å; F251-L257 HydrophobicContact CD2-CD1 4.14Å; F251-L257 HydrophobicContact CD2-CG 4.16Å; F251-L257 HydrophobicContact CE2-CB 4.32Å; F251-L257 HydrophobicContact CE2-CG 4.47Å; F251-L257 HydrophobicContact CG-CB 4.14Å; F251-V260 HydrophobicContact CE1-CB 4.29Å; F251-V260 HydrophobicContact CE1-CG2 3.87Å; F251-V260 HydrophobicContact CZ-CB 3.89Å; F251-V260 HydrophobicContact CZ-CG1 3.93Å; F251-V260 HydrophobicContact CZ-CG2 3.96Å | ||
| 252 | E | 84.8 | Confident | 87.4 | Confident | 134 Ų | 134 | 47.7 Ų | 47.7 | 63% | 0.626 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -93.9 | -44.1 | 173 | -170.1 | 107.7 | -113.4 | 0 | 0 | 111.1 | K231 | K231-E252 HydrophobicContact CD-CB 4.3Å; K231-E252 IonicContact NZ-OE1 2.56Å; K231-E252 PolarHBondContact NZ-OE1 3.05Å; K231-E252 IonicContact NZ-OE2 3.04Å; K231-E252 PolarHBondContact NZ-OE2 3.28Å |
| 253 | C | 83.7 | Confident | 87.6 | Confident | 49 Ų | 49 | 46.8 Ų | 46.8 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -103.4 | 155 | 174.1 | -160.3 | 0 | 0 | 0 | 0 | 112.5 | L207 D255 D256 | L207-C253 VanDerWaalsContact CD2-C 3.49Å; C253-D255 PolarHBondContact SG-OD2 3.18Å; C253-D255 VanDerWaalsContact SG-OD2 3.41Å; C253-D256 HydrophobicContact CB-CB 4.45Å; C253-D256 WeakPolarHBondContact CB-OD2 3.39Å; C253-D256 PolarHBondContact N-OD2 2.98Å |
| 254 | H | 85.1 | Confident | 87.5 | Confident | 102 Ų | 102 | 45.5 Ų | 45.5 | 47% | 0.472 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.8 | -32.9 | 170.9 | -174.2 | 68.1 | 0 | 0 | 0 | 111.5 | E206 L207 D256 L257 Q258 | E206-H254 PolarHBondContact O-ND1 3Å; L207-H254 HydrophobicContact CD2-CB 4.02Å; H254-D256 PolarHBondContact O-N 2.93Å; H254-L257 WeakPolarHBondContact O-CB 3.36Å; H254-L257 PolarHBondContact O-N 3.34Å; H254-Q258 PolarHBondContact O-N 3.45Å |
| 255 | D | 85.9 | Confident | 87.1 | Confident | 111 Ų | 111 | 47.6 Ų | 47.6 | 59% | 0.594 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.9 | -41.9 | 177.6 | -54.9 | -35.3 | 0 | 0 | 0 | 111.3 | C253 L257 Q258 V259 | C253-D255 PolarHBondContact SG-OD2 3.18Å; C253-D255 VanDerWaalsContact SG-OD2 3.41Å; D255-L257 VanDerWaalsContact C-N 3.32Å; D255-L257 PolarHBondContact O-N 3.39Å; D255-Q258 PolarHBondContact O-N 3.14Å; D255-V259 WeakPolarHBondContact O-CB 3.5Å; D255-V259 WeakPolarHBondContact O-CG2 3.33Å; D255-V259 PolarHBondContact O-N 3.38Å |
| 256 | D | 87.1 | Confident | 86.6 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58 | -44.7 | 174.3 | -63 | -42.2 | 0 | 0 | 0 | 111.6 | T229 F251 C253 H254 Q258 V260 | T229-D256 HydrophobicContact CG2-CB 3.76Å; T229-D256 WeakPolarHBondContact CG2-OD1 3.19Å; F251-D256 HydrophobicContact CB-CB 4.34Å; F251-D256 HydrophobicContact CD1-CB 3.8Å; F251-D256 HydrophobicContact CG-CB 4.31Å; C253-D256 HydrophobicContact CB-CB 4.45Å; C253-D256 WeakPolarHBondContact CB-OD2 3.39Å; C253-D256 PolarHBondContact N-OD2 2.98Å; H254-D256 PolarHBondContact O-N 2.93Å; D256-Q258 VanDerWaalsContact C-N 3.35Å; D256-V260 WeakPolarHBondContact O-CB 3.39Å; D256-V260 WeakPolarHBondContact O-CG2 3.48Å; D256-V260 PolarHBondContact O-N 3.4Å |
| 257 | L | 86.9 | Confident | 86.4 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 177.6 | 176.8 | 151.2 | 0 | 0 | 0 | 111.1 | L207 R208 L209 F251 H254 D255 L261 | L207-L257 VanDerWaalsContact C-CD1 3.4Å; R208-L257 VanDerWaalsContact N-CD1 3.33Å; R208-L257 WeakPolarHBondContact O-CD1 3.18Å; L209-L257 HydrophobicContact CB-CD1 4.31Å; L209-L257 HydrophobicContact CB-CG 4.36Å; L209-L257 HydrophobicContact CD1-CD2 4.41Å; L209-L257 HydrophobicContact CD1-CG 4.33Å; F251-L257 HydrophobicContact CB-CB 4.38Å; F251-L257 HydrophobicContact CD2-CB 3.76Å; F251-L257 HydrophobicContact CD2-CD1 4.14Å; F251-L257 HydrophobicContact CD2-CG 4.16Å; F251-L257 HydrophobicContact CE2-CB 4.32Å; F251-L257 HydrophobicContact CE2-CG 4.47Å; F251-L257 HydrophobicContact CG-CB 4.14Å; H254-L257 WeakPolarHBondContact O-CB 3.36Å; H254-L257 PolarHBondContact O-N 3.34Å; D255-L257 VanDerWaalsContact C-N 3.32Å; D255-L257 PolarHBondContact O-N 3.39Å; L257-L261 WeakPolarHBondContact O-CB 3.49Å; L257-L261 PolarHBondContact O-N 2.67Å |
| 258 | Q | 85.7 | Confident | 86.3 | Confident | 76 Ų | 76 | 59.6 Ų | 59.6 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.4 | -44.9 | -179.5 | -173.1 | 58.6 | 38.9 | 0 | 0 | 111.3 | H254 D255 D256 V260 L261 D262 | H254-Q258 PolarHBondContact O-N 3.45Å; D255-Q258 PolarHBondContact O-N 3.14Å; D256-Q258 VanDerWaalsContact C-N 3.35Å; Q258-V260 VanDerWaalsContact C-N 3.35Å; Q258-V260 PolarHBondContact O-N 2.96Å; Q258-L261 WeakPolarHBondContact O-CB 3.44Å; Q258-L261 PolarHBondContact O-N 3.31Å; Q258-D262 VanDerWaalsContact NE2-CG 3.35Å; Q258-D262 PolarHBondContact NE2-OD1 2.84Å; Q258-D262 PolarHBondContact NE2-OD2 3.07Å; Q258-D262 PolarHBondContact O-N 3.36Å |
| 259 | V | 87.3 | Confident | 86.1 | Confident | 103 Ų | 103 | 59.7 Ų | 59.7 | 62% | 0.624 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -58.9 | -44.5 | 174.8 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | D255 A263 | D255-V259 WeakPolarHBondContact O-CB 3.5Å; D255-V259 WeakPolarHBondContact O-CG2 3.33Å; D255-V259 PolarHBondContact O-N 3.38Å; V259-A263 VanDerWaalsContact O-CB 3.25Å; V259-A263 WeakPolarHBondContact O-CB 3.48Å; V259-A263 PolarHBondContact O-N 3.3Å |
| 260 | V | 87 | Confident | 85.7 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.6 | -35.6 | 176.8 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | L209 F227 L249 F251 D256 Q258 C264 | L209-V260 HydrophobicContact CD2-CB 4.28Å; L209-V260 HydrophobicContact CD2-CG1 3.84Å; F227-V260 HydrophobicContact CD1-CG1 3.6Å; F227-V260 HydrophobicContact CE1-CG1 3.83Å; L249-V260 HydrophobicContact CD1-CG1 4.21Å; F251-V260 HydrophobicContact CE1-CB 4.29Å; F251-V260 HydrophobicContact CE1-CG2 3.87Å; F251-V260 HydrophobicContact CZ-CB 3.89Å; F251-V260 HydrophobicContact CZ-CG1 3.93Å; F251-V260 HydrophobicContact CZ-CG2 3.96Å; D256-V260 WeakPolarHBondContact O-CB 3.39Å; D256-V260 WeakPolarHBondContact O-CG2 3.48Å; D256-V260 PolarHBondContact O-N 3.4Å; Q258-V260 VanDerWaalsContact C-N 3.35Å; Q258-V260 PolarHBondContact O-N 2.96Å; V260-C264 WeakPolarHBondContact O-CB 3.46Å; V260-C264 PolarHBondContact O-N 3.34Å; V260-C264 PolarHBondContact O-SG 3.32Å |
| 261 | L | 88.6 | Confident | 85.5 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 12% | 0.12 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.8 | -49.2 | 174.9 | -179.7 | 155.3 | 0 | 0 | 0 | 111.1 | L209 L257 Q258 C264 Q265 P278 | L209-L261 HydrophobicContact CD1-CB 3.98Å; L209-L261 HydrophobicContact CD1-CD1 3.84Å; L209-L261 HydrophobicContact CD1-CG 4.17Å; L209-L261 HydrophobicContact CD2-CB 4.27Å; L257-L261 WeakPolarHBondContact O-CB 3.49Å; L257-L261 PolarHBondContact O-N 2.67Å; Q258-L261 WeakPolarHBondContact O-CB 3.44Å; Q258-L261 PolarHBondContact O-N 3.31Å; L261-C264 WeakPolarHBondContact O-CB 3.5Å; L261-C264 PolarHBondContact O-N 3.01Å; L261-Q265 WeakPolarHBondContact O-CG 3.41Å; L261-Q265 PolarHBondContact O-N 3.12Å; L261-P278 HydrophobicContact CD1-CG 3.61Å |
| 262 | D | 86.9 | Confident | 85.5 | Confident | 72 Ų | 72 | 69 Ų | 69 | 39% | 0.385 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.6 | -40.5 | -178.6 | -69.6 | -32 | 0 | 0 | 0 | 112 | Q258 C264 Q265 | Q258-D262 VanDerWaalsContact NE2-CG 3.35Å; Q258-D262 PolarHBondContact NE2-OD1 2.84Å; Q258-D262 PolarHBondContact NE2-OD2 3.07Å; Q258-D262 PolarHBondContact O-N 3.36Å; D262-C264 VanDerWaalsContact C-N 3.29Å; D262-C264 PolarHBondContact O-N 3.35Å; D262-Q265 PolarHBondContact O-N 3.27Å; D262-Q265 PolarHBondContact OD1-NE2 3.1Å |
| 263 | A | 87 | Confident | 85.7 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 49% | 0.488 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.4 | -39.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V259 Q265 N266 K267 | V259-A263 VanDerWaalsContact O-CB 3.25Å; V259-A263 WeakPolarHBondContact O-CB 3.48Å; V259-A263 PolarHBondContact O-N 3.3Å; A263-Q265 VanDerWaalsContact C-N 3.29Å; A263-Q265 PolarHBondContact O-N 2.97Å; A263-N266 PolarHBondContact O-N 2.82Å; A263-K267 WeakPolarHBondContact O-CB 3.2Å; A263-K267 PolarHBondContact O-N 2.93Å |
| 264 | C | 85.6 | Confident | 86 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.007 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.6 | -26.5 | 178.8 | -86.4 | 0 | 0 | 0 | 0 | 114.4 | F227 V260 L261 D262 N266 K267 V274 A276 | F227-C264 WeakPolarHBondContact CE1-SG 3.01Å; V260-C264 WeakPolarHBondContact O-CB 3.46Å; V260-C264 PolarHBondContact O-N 3.34Å; V260-C264 PolarHBondContact O-SG 3.32Å; L261-C264 WeakPolarHBondContact O-CB 3.5Å; L261-C264 PolarHBondContact O-N 3.01Å; D262-C264 VanDerWaalsContact C-N 3.29Å; D262-C264 PolarHBondContact O-N 3.35Å; C264-N266 PolarHBondContact O-N 3.23Å; C264-K267 PolarHBondContact O-N 2.9Å; C264-V274 HydrophobicContact CB-CG2 4.13Å; C264-V274 WeakPolarHBondContact O-CG2 3.26Å; C264-A276 HydrophobicContact CB-CB 3.46Å; C264-A276 VanDerWaalsContact CB-CB 3.46Å |
| 265 | Q | 80.6 | Confident | 86.2 | Confident | 119 Ų | 119 | 67.2 Ų | 67.2 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.8 | -31.8 | -179 | -57.8 | -170.4 | 37.2 | 0 | 0 | 112.1 | L261 D262 A263 | L261-Q265 WeakPolarHBondContact O-CG 3.41Å; L261-Q265 PolarHBondContact O-N 3.12Å; D262-Q265 PolarHBondContact O-N 3.27Å; D262-Q265 PolarHBondContact OD1-NE2 3.1Å; A263-Q265 VanDerWaalsContact C-N 3.29Å; A263-Q265 PolarHBondContact O-N 2.97Å |
| 266 | N | 78.7 | Confident | 86.4 | Confident | 139 Ų | 139 | 62.7 Ų | 62.7 | 74% | 0.743 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -107.7 | -3.7 | -178.2 | -64.6 | -54 | 0 | 0 | 0 | 114 | A263 C264 | A263-N266 PolarHBondContact O-N 2.82Å; C264-N266 PolarHBondContact O-N 3.23Å |
| 267 | K | 85.9 | Confident | 86.4 | Confident | 53 Ų | 53 | 63 Ų | 63 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | trans | -79.5 | 138.9 | -171.4 | -169 | 163.5 | -177.5 | 167.5 | 0 | 112.9 | E226 F227 A263 C264 I269 R273 V274 | E226-K267 PolarHBondContact O-NZ 2.97Å; E226-K267 WeakPolarHBondContact OE2-CE 3.24Å; E226-K267 IonicContact OE2-NZ 2.71Å; E226-K267 PolarHBondContact OE2-NZ 3.21Å; F227-K267 HydrophobicContact CE1-CD 4.29Å; F227-K267 HydrophobicContact CZ-CD 4.39Å; A263-K267 WeakPolarHBondContact O-CB 3.2Å; A263-K267 PolarHBondContact O-N 2.93Å; C264-K267 PolarHBondContact O-N 2.9Å; K267-I269 HydrophobicContact CG-CG1 4.31Å; K267-R273 WeakPolarHBondContact O-CA 3.12Å; K267-V274 HydrophobicContact CB-CG2 3.99Å; K267-V274 PolarHBondContact O-N 2.54Å | ||
| 268 | V | 87.9 | Confident | 86.3 | Confident | 79 Ų | 79 | 67 Ų | 67 | 48% | 0.479 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 110.3 | -178.7 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | R272 R273 | V268-R272 CarbonylContact C-O 3.6Å; V268-R272 WeakPolarHBondContact CA-O 3.45Å; V268-R273 HydrophobicContact CG2-CG 3.82Å |
| 269 | I | 86 | Confident | 86.1 | Confident | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.4 | 179.1 | -54.6 | -173.1 | 0 | 0 | 0 | 109 | L214 P215 I218 E226 F227 K267 G271 R272 V274 | L214-I269 HydrophobicContact CD2-CD1 4Å; P215-I269 HydrophobicContact CG-CG2 4.32Å; I218-I269 HydrophobicContact CD1-CG2 3.99Å; E226-I269 HydrophobicContact CB-CD1 4.22Å; E226-I269 HydrophobicContact CG-CD1 4.12Å; E226-I269 WeakPolarHBondContact OE1-CG1 3.11Å; F227-I269 HydrophobicContact CE2-CD1 4.01Å; F227-I269 HydrophobicContact CZ-CD1 4.11Å; K267-I269 HydrophobicContact CG-CG1 4.31Å; I269-G271 VanDerWaalsContact C-N 3.26Å; I269-G271 PolarHBondContact O-N 2.78Å; I269-R272 PolarHBondContact N-O 2.91Å; I269-R272 PolarHBondContact O-N 2.92Å; I269-V274 HydrophobicContact CB-CG1 4.06Å; I269-V274 HydrophobicContact CD1-CG1 3.87Å; I269-V274 HydrophobicContact CG1-CG1 3.72Å |
| 270 | S | 82.8 | Confident | 85.9 | Confident | 80 Ų | 80 | 61.7 Ų | 61.7 | 56% | 0.559 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | 46.9 | -174.7 | -35.4 | 0 | 0 | 0 | 0 | 113.7 | R272 | S270-R272 VanDerWaalsContact C-N 3.31Å; S270-R272 PolarHBondContact O-N 2.8Å |
| 271 | G | 84.1 | Confident | 85.5 | Confident | 71 Ų | 71 | 65.6 Ų | 65.6 | 73% | 0.732 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 4.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | I269 | I269-G271 VanDerWaalsContact C-N 3.26Å; I269-G271 PolarHBondContact O-N 2.78Å |
| 272 | R | 88.7 | Confident | 85 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.4 | 173.8 | -64.9 | -176.7 | 177.4 | 78.2 | 3.8 | 110.7 | N213 V268 I269 S270 V274 | N213-R272 WeakPolarHBondContact O-CB 3.28Å; N213-R272 WeakPolarHBondContact O-CD 3.21Å; V268-R272 CarbonylContact C-O 3.6Å; V268-R272 WeakPolarHBondContact CA-O 3.45Å; I269-R272 PolarHBondContact N-O 2.91Å; I269-R272 PolarHBondContact O-N 2.92Å; S270-R272 VanDerWaalsContact C-N 3.31Å; S270-R272 PolarHBondContact O-N 2.8Å; R272-V274 PolarHBondContact O-N 3.45Å |
| 273 | R | 88.2 | Confident | 84.3 | Confident | 185 Ų | 185 | 70.5 Ų | 70.5 | 70% | 0.698 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 123 | 164.9 | -80.4 | -166.5 | -65.8 | -95.9 | 6.9 | 108.8 | N213 K267 V268 | N213-R273 PolarHBondContact ND2-O 2.95Å; K267-R273 WeakPolarHBondContact O-CA 3.12Å; V268-R273 HydrophobicContact CG2-CG 3.82Å |
| 274 | V | 91.2 | Very high | 83.4 | Confident | 8 Ų | 8 | 70.8 Ų | 70.8 | 5% | 0.048 | 38% | 0.38 | C | S | . | . | trans | -79.4 | 166.9 | 174.6 | -54.1 | 0 | 0 | 0 | 0 | 110.2 | I211 R212 L214 C264 K267 I269 R272 | I211-V274 HydrophobicContact CG2-CB 3.93Å; I211-V274 HydrophobicContact CG2-CG1 4.44Å; I211-V274 HydrophobicContact CG2-CG2 4.36Å; R212-V274 WeakPolarHBondContact O-CA 3.28Å; L214-V274 HydrophobicContact CD2-CG1 3.77Å; C264-V274 HydrophobicContact CB-CG2 4.13Å; C264-V274 WeakPolarHBondContact O-CG2 3.26Å; K267-V274 HydrophobicContact CB-CG2 3.99Å; K267-V274 PolarHBondContact O-N 2.54Å; I269-V274 HydrophobicContact CB-CG1 4.06Å; I269-V274 HydrophobicContact CD1-CG1 3.87Å; I269-V274 HydrophobicContact CG1-CG1 3.72Å; R272-V274 PolarHBondContact O-N 3.45Å | ||
| 275 | S | 88.4 | Confident | 82.2 | Confident | 55 Ų | 55 | 74.8 Ų | 74.8 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 112.8 | 173.9 | 169.9 | 0 | 0 | 0 | 0 | 108.5 | I211 R212 | I211-S275 CarbonylContact C-O 3.52Å; R212-S275 PolarHBondContact N-O 2.91Å; R212-S275 PolarHBondContact O-N 2.77Å |
| 276 | A | 89.9 | Confident | 80.8 | Confident | 16 Ų | 16 | 74.8 Ų | 74.8 | 13% | 0.132 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 144.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L209 I211 C264 | L209-A276 HydrophobicContact CD1-CB 4.06Å; L209-A276 HydrophobicContact CD2-CB 4.03Å; L209-A276 HydrophobicContact CG-CB 4.06Å; I211-A276 HydrophobicContact CD1-CB 3.67Å; C264-A276 HydrophobicContact CB-CB 3.46Å; C264-A276 VanDerWaalsContact CB-CB 3.46Å |
| 277 | L | 86.9 | Confident | 79.2 | Confident | 59 Ų | 59 | 75.8 Ų | 75.8 | 31% | 0.309 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 131 | 174 | -66 | 174.5 | 0 | 0 | 0 | 109 | T210 H281 | T210-L277 PolarHBondContact N-O 2.68Å; T210-L277 PolarHBondContact O-N 2.92Å; L277-H281 WeakPolarHBondContact CD1-ND1 3.44Å |
| 278 | P | 85.1 | Confident | 76.9 | Confident | 89 Ų | 89 | 80.2 Ų | 80.2 | 58% | 0.578 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 149.7 | 174.4 | -27 | 34.5 | 0 | 0 | 0 | 113.7 | L261 | L261-P278 HydrophobicContact CD1-CG 3.61Å |
| 279 | G | 81.2 | Confident | 74.8 | Confident | 13 Ų | 13 | 83 Ų | 83 | 13% | 0.134 | 45% | 0.447 | C | S | . | . | S | Bend | trans | 68.2 | -165.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R208 T210 | R208-G279 WeakPolarHBondContact O-CA 3.28Å; R208-G279 PolarHBondContact O-N 3.05Å; T210-G279 PolarHBondContact N-O 3.35Å; T210-G279 PolarHBondContact OG1-O 2.74Å |
| 280 | L | 84 | Confident | 72.5 | Confident | 55 Ų | 55 | 92.3 Ų | 92.3 | 29% | 0.288 | 49% | 0.487 | S | S | . | . | trans | -95.8 | 101.9 | -178.1 | 177 | 58.8 | 0 | 0 | 0 | 111.9 | L248 F282 I284 | L248-L280 HydrophobicContact CD1-CB 4.45Å; L248-L280 HydrophobicContact CD1-CD1 3.77Å; L248-L280 HydrophobicContact CD2-CD1 4.03Å; L248-L280 HydrophobicContact CG-CD1 4.41Å; L280-F282 HydrophobicContact CD1-CD1 4.16Å; L280-F282 HydrophobicContact CD1-CE1 4.19Å; L280-F282 HydrophobicContact CD1-CG 4.36Å; L280-F282 HydrophobicContact CD1-CZ 4.43Å; L280-F282 VanDerWaalsContact CD1-O 3.28Å; L280-F282 WeakPolarHBondContact CD1-O 2.99Å; L280-F282 WeakPolarHBondContact CG-O 3.36Å; L280-I284 HydrophobicContact CD1-CD1 3.87Å; L280-I284 HydrophobicContact CD1-CG1 3.69Å; L280-I284 HydrophobicContact CD2-CD1 3.67Å; L280-I284 HydrophobicContact CD2-CG1 3.84Å; L280-I284 HydrophobicContact CG-CD1 4.43Å; L280-I284 HydrophobicContact CG-CG1 4.4Å | ||
| 281 | H | 79 | Confident | 70.2 | Confident | 95 Ų | 95 | 94.2 Ų | 94.2 | 44% | 0.44 | 50% | 0.495 | S | S | . | . | trans | -104.2 | 31.3 | -179.5 | -163.1 | -170 | 0 | 0 | 0 | 113.5 | T210 R212 L277 | T210-H281 HydrophobicContact CG2-CB 4.05Å; T210-H281 PolarHBondContact OG1-N 3.28Å; R212-H281 PolarHBondContact NH2-CD2 3.18Å; R212-H281 VanDerWaalsContact NH2-CD2 3.3Å; R212-H281 PolarHBondContact NH2-CE1 2.83Å; R212-H281 VanDerWaalsContact NH2-CE1 3.35Å; R212-H281 VanDerWaalsContact NH2-CG 3.25Å; R212-H281 PolarHBondContact NH2-ND1 2.88Å; R212-H281 PolarHBondContact NH2-NE2 2.87Å; R212-H281 PolarHBondContact NH2-O 2.85Å; L277-H281 WeakPolarHBondContact CD1-ND1 3.44Å | ||
| 282 | F | 77 | Confident | 68.2 | Low | 28 Ų | 28 | 98 Ų | 98 | 12% | 0.123 | 50% | 0.499 | C | S | . | . | S | Bend | trans | -152.7 | 158.6 | 163.9 | 63.8 | -89.1 | 0 | 0 | 0 | 112.7 | T210 N236 L248 L280 I284 | T210-F282 HydrophobicContact CG2-CD1 3.76Å; T210-F282 HydrophobicContact CG2-CE1 4.06Å; N236-F282 HydrophobicContact CB-CD1 4.43Å; N236-F282 HydrophobicContact CB-CD2 3.85Å; N236-F282 HydrophobicContact CB-CE1 4.26Å; N236-F282 HydrophobicContact CB-CE2 3.65Å; N236-F282 HydrophobicContact CB-CG 4.24Å; N236-F282 HydrophobicContact CB-CZ 3.87Å; N236-F282 WeakPolarHBondContact ND2-CG 3.35Å; L248-F282 HydrophobicContact CB-CE1 3.85Å; L248-F282 HydrophobicContact CB-CZ 3.78Å; L280-F282 HydrophobicContact CD1-CD1 4.16Å; L280-F282 HydrophobicContact CD1-CE1 4.19Å; L280-F282 HydrophobicContact CD1-CG 4.36Å; L280-F282 HydrophobicContact CD1-CZ 4.43Å; L280-F282 VanDerWaalsContact CD1-O 3.28Å; L280-F282 WeakPolarHBondContact CD1-O 2.99Å; L280-F282 WeakPolarHBondContact CG-O 3.36Å; F282-I284 HydrophobicContact CD2-CG1 4.42Å; F282-I284 HydrophobicContact CE2-CG1 3.97Å; F282-I284 PolarHBondContact O-N 2.84Å; F282-I284 VanDerWaalsContact O-N 3.08Å |
| 283 | E | 72.1 | Confident | 65.9 | Low | 169 Ų | 169 | 99.3 Ų | 99.3 | 79% | 0.79 | 52% | 0.518 | S | S | * | . | trans | -69.3 | 101.9 | 169.8 | -68.5 | -178.8 | 165.7 | 0 | 0 | 110.6 | K285 | E283-K285 PolarHBondContact O-N 2.82Š| ||
| 284 | I | 67.9 | Low | 63.8 | Low | 66 Ų | 66 | 100.7 Ų | 100.7 | 34% | 0.338 | 53% | 0.529 | S | S | . | . | trans | -64.5 | 115.5 | 161 | -49.5 | 173.3 | 0 | 0 | 0 | 106.9 | L248 L280 F282 S286 | L248-I284 HydrophobicContact CD2-CD1 3.78Å; L280-I284 HydrophobicContact CD1-CD1 3.87Å; L280-I284 HydrophobicContact CD1-CG1 3.69Å; L280-I284 HydrophobicContact CD2-CD1 3.67Å; L280-I284 HydrophobicContact CD2-CG1 3.84Å; L280-I284 HydrophobicContact CG-CD1 4.43Å; L280-I284 HydrophobicContact CG-CG1 4.4Å; F282-I284 HydrophobicContact CD2-CG1 4.42Å; F282-I284 HydrophobicContact CE2-CG1 3.97Å; F282-I284 PolarHBondContact O-N 2.84Å; F282-I284 VanDerWaalsContact O-N 3.08Å; I284-S286 PolarHBondContact O-N 3.06Å | ||
| 285 | K | 61.3 | Low | 61.9 | Low | 84 Ų | 84 | 108.2 Ų | 108.2 | 37% | 0.365 | 56% | 0.564 | S | S | . | * | trans | -71.9 | 116.7 | 162.8 | -59.5 | -170.6 | -126 | 77.9 | 0 | 106.3 | T237 E283 E287 | T237-K285 PolarHBondContact O-NZ 3.22Å; E283-K285 PolarHBondContact O-N 2.82Å; K285-E287 PolarHBondContact O-N 2.96Å | ||
| 286 | S | 50.5 | Low | 60.4 | Low | 120 Ų | 120 | 108.5 Ų | 108.5 | 84% | 0.839 | 57% | 0.57 | S | S | * | * | trans | -74.9 | 69.6 | -171.3 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | I284 | I284-S286 PolarHBondContact O-N 3.06Š| ||
| 287 | E | 44.2 | Very low | 59.5 | Low | 160 Ų | 160 | 111.4 Ų | 111.4 | 75% | 0.748 | 59% | 0.589 | S | S | * | * | trans | -100 | 111.6 | 164.2 | -71.8 | 175.4 | 124.3 | 0 | 0 | 108.2 | K285 | K285-E287 PolarHBondContact O-N 2.96Š| ||
| 288 | N | 38 | Very low | 59.4 | Low | 146 Ų | 146 | 112.1 Ų | 112.1 | 78% | 0.781 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 66.9 | 51.2 | 161.4 | -51.8 | -27.8 | 0 | 0 | 0 | 119.6 | ||
| 289 | M | 43.7 | Very low | 59.5 | Low | 138 Ų | 138 | 110 Ų | 110 | 68% | 0.68 | 58% | 0.577 | S | S | * | * | trans | -133.9 | 65.1 | 147.7 | -79.4 | -56.8 | 162.1 | 0 | 0 | 112.1 | ||||
| 290 | K | 38 | Very low | 59.7 | Low | 199 Ų | 199 | 109.6 Ų | 109.6 | 87% | 0.865 | 57% | 0.574 | S | S | * | * | trans | -116.2 | 77.1 | 158.5 | -84.4 | -165.9 | 172.5 | -171.2 | 0 | 109.3 | N292 | K290-N292 PolarHBondContact O-N 2.94Š| ||
| 291 | T | 35.8 | Very low | 60 | Low | 121 Ų | 121 | 107.2 Ų | 107.2 | 74% | 0.742 | 56% | 0.561 | S | S | * | * | trans | -73.5 | 65.2 | 168.3 | 36.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 292 | N | 40.7 | Very low | 60.5 | Low | 150 Ų | 150 | 104.9 Ų | 104.9 | 80% | 0.802 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -162.3 | 99.6 | 162.4 | -99.4 | -40.9 | 0 | 0 | 0 | 109.1 | K290 | K290-N292 PolarHBondContact O-N 2.94Š|
| 293 | T | 41.7 | Very low | 61.1 | Low | 130 Ų | 130 | 103.6 Ų | 103.6 | 80% | 0.798 | 54% | 0.544 | S | S | * | . | S | Bend | trans | 58.4 | 118.7 | 179.8 | -50.5 | 0 | 0 | 0 | 0 | 115.6 | E295 | T293-E295 VanDerWaalsContact C-N 3.28Å; T293-E295 PolarHBondContact O-N 2.92Å |
| 294 | K | 43.5 | Very low | 61.7 | Low | 213 Ų | 213 | 96.4 Ų | 96.4 | 93% | 0.926 | 51% | 0.512 | S | S | * | . | trans | -74.4 | 67.9 | -176 | -67.1 | 179.4 | -179.4 | 172.5 | 0 | 113.5 | A296 | K294-A296 PolarHBondContact O-N 3.41Š| ||
| 295 | E | 50.9 | Low | 62.4 | Low | 167 Ų | 167 | 100.8 Ų | 100.8 | 78% | 0.78 | 53% | 0.529 | S | S | * | . | trans | -65.8 | 91.5 | 151 | -76.1 | -172.7 | -171.5 | 0 | 0 | 107.8 | T293 S297 | T293-E295 VanDerWaalsContact C-N 3.28Å; T293-E295 PolarHBondContact O-N 2.92Å; E295-S297 PolarHBondContact O-N 3.17Å | ||
| 296 | A | 56.2 | Low | 63.5 | Low | 61 Ų | 61 | 97 Ų | 97 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | trans | -54 | 128.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | K294 T298 | K294-A296 PolarHBondContact O-N 3.41Å; A296-T298 WeakPolarHBondContact O-CG2 3.44Å; A296-T298 PolarHBondContact O-N 3.05Å | ||
| 297 | S | 72.6 | Confident | 65 | Low | 76 Ų | 76 | 92.6 Ų | 92.6 | 53% | 0.531 | 48% | 0.482 | S | S | . | . | trans | -48.6 | 120.9 | -175.3 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | E295 N346 | E295-S297 PolarHBondContact O-N 3.17Å; S297-N346 WeakPolarHBondContact O-CB 3.38Å; S297-N346 PolarHBondContact O-N 2.96Å; S297-N346 PolarHBondContact OG-ND2 3.06Å | ||
| 298 | T | 83.8 | Confident | 66.8 | Low | 74 Ų | 74 | 88.4 Ų | 88.4 | 45% | 0.454 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 160.6 | -179.8 | 71.9 | 0 | 0 | 0 | 0 | 110.3 | A296 I325 T343 L344 | A296-T298 WeakPolarHBondContact O-CG2 3.44Å; A296-T298 PolarHBondContact O-N 3.05Å; T298-I325 HydrophobicContact CG2-CD1 3.38Å; T298-T343 HydrophobicContact CG2-CG2 4.08Å; T298-L344 CarbonylContact C-O 3.51Å; T298-L344 VanDerWaalsContact CA-O 3.24Å; T298-L344 WeakPolarHBondContact CA-O 3.29Å |
| 299 | F | 86.6 | Confident | 69 | Low | 44 Ų | 44 | 85.9 Ų | 85.9 | 19% | 0.193 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 137.8 | 159.9 | 70.9 | -74.1 | 0 | 0 | 0 | 109.9 | I301 L344 N346 N350 Q351 V354 | F299-I301 HydrophobicContact CD2-CD1 4.45Å; F299-I301 HydrophobicContact CD2-CG1 4.19Å; F299-I301 HydrophobicContact CE2-CD1 3.88Å; F299-I301 HydrophobicContact CE2-CG1 4.11Å; F299-L344 HydrophobicContact CD1-CB 4.17Å; F299-L344 HydrophobicContact CE1-CB 3.8Å; F299-L344 HydrophobicContact CE1-CD1 4.34Å; F299-L344 HydrophobicContact CE2-CD1 4.23Å; F299-L344 HydrophobicContact CZ-CB 4.12Å; F299-L344 HydrophobicContact CZ-CD1 3.82Å; F299-L344 PolarHBondContact N-O 3.41Å; F299-L344 PolarHBondContact O-N 3.21Å; F299-N346 HydrophobicContact CD1-CB 4.06Å; F299-N350 HydrophobicContact CE1-CB 3.99Å; F299-N350 HydrophobicContact CZ-CB 4Å; F299-Q351 HydrophobicContact CE1-CG 4.28Å; F299-Q351 HydrophobicContact CZ-CG 4.14Å; F299-V354 HydrophobicContact CE2-CG2 4.11Å; F299-V354 HydrophobicContact CZ-CG2 4.21Å |
| 300 | G | 87.2 | Confident | 70.8 | Confident | 6 Ų | 6 | 79.3 Ų | 79.3 | 6% | 0.062 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 155 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L342 W372 | G300-L342 CarbonylContact C-O 3.54Å; G300-L342 VanDerWaalsContact CA-O 3.26Å; G300-L342 WeakPolarHBondContact CA-O 3.37Å; G300-W372 CarbonylContact C-O 3.55Å; G300-W372 WeakPolarHBondContact CA-O 3.29Å; G300-W372 PolarHBondContact N-O 3.01Å; G300-W372 VanDerWaalsContact N-O 3.15Å; G300-W372 PolarHBondContact O-N 3.26Å |
| 301 | I | 89.1 | Confident | 73.1 | Confident | 4 Ų | 4 | 75.4 Ų | 75.4 | 2% | 0.021 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136.4 | 175.1 | -52 | 173.6 | 0 | 0 | 0 | 108.1 | F299 I303 F341 L342 L344 V354 M369 Q370 | F299-I301 HydrophobicContact CD2-CD1 4.45Å; F299-I301 HydrophobicContact CD2-CG1 4.19Å; F299-I301 HydrophobicContact CE2-CD1 3.88Å; F299-I301 HydrophobicContact CE2-CG1 4.11Å; I301-I303 HydrophobicContact CG2-CG1 4.25Å; I301-F341 WeakPolarHBondContact O-CA 3.3Å; I301-L342 HydrophobicContact CB-CB 4.32Å; I301-L342 PolarHBondContact N-O 3.45Å; I301-L342 PolarHBondContact O-N 3.43Å; I301-L344 HydrophobicContact CD1-CD1 3.59Å; I301-L344 HydrophobicContact CD1-CG 4.32Å; I301-V354 HydrophobicContact CD1-CB 4.19Å; I301-V354 HydrophobicContact CD1-CG1 3.82Å; I301-V354 HydrophobicContact CD1-CG2 3.24Å; I301-M369 HydrophobicContact CD1-CE 4.42Å; I301-M369 HydrophobicContact CG2-CB 4.35Å; I301-M369 HydrophobicContact CG2-CE 3.9Å; I301-Q370 WeakPolarHBondContact CA-O 3.48Å |
| 302 | K | 89.7 | Confident | 75.4 | Confident | 47 Ų | 47 | 71.5 Ų | 71.5 | 20% | 0.204 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.8 | 165.5 | -176.3 | -176.9 | -176.9 | 177.1 | 0 | 108.7 | V340 F341 Q370 W372 | K302-V340 CarbonylContact C-O 3.13Å; K302-V340 WeakPolarHBondContact CA-O 3.34Å; K302-F341 HydrophobicContact CB-CD1 4.1Å; K302-F341 HydrophobicContact CB-CE1 4.16Å; K302-F341 HydrophobicContact CD-CD1 4.37Å; K302-F341 HydrophobicContact CD-CE1 3.6Å; K302-F341 HydrophobicContact CD-CZ 3.91Å; K302-F341 HydrophobicContact CG-CD1 3.98Å; K302-F341 HydrophobicContact CG-CE1 3.69Å; K302-F341 HydrophobicContact CG-CZ 4.12Å; K302-Q370 PolarHBondContact N-O 3.17Å; K302-Q370 PolarHBondContact O-N 3.21Å; K302-W372 HydrophobicContact CB-CB 4.07Å; K302-W372 HydrophobicContact CB-CE3 4.41Å; K302-W372 HydrophobicContact CB-CG 4.48Å; K302-W372 HydrophobicContact CD-CE3 4.43Å |
| 303 | I | 88.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 108.4 | 168.1 | -49.1 | -170.8 | 0 | 0 | 0 | 106.6 | I301 L306 L315 N339 V340 L342 L367 M369 | I301-I303 HydrophobicContact CG2-CG1 4.25Å; I303-L306 HydrophobicContact CG2-CB 4.39Å; I303-L306 HydrophobicContact CG2-CD1 4.37Å; I303-L315 HydrophobicContact CD1-CD1 3.86Å; I303-L315 HydrophobicContact CD1-CD2 3.83Å; I303-N339 CarbonylContact O-C 3.59Å; I303-N339 WeakPolarHBondContact O-CA 3.18Å; I303-V340 HydrophobicContact CB-CB 4.38Å; I303-V340 PolarHBondContact N-O 2.8Å; I303-V340 PolarHBondContact O-N 3.35Å; I303-L342 HydrophobicContact CD1-CD1 3.82Å; I303-L342 HydrophobicContact CG1-CD1 4.28Å; I303-L367 HydrophobicContact CD1-CD1 4.38Å; I303-L367 HydrophobicContact CG2-CB 4.19Å; I303-L367 HydrophobicContact CG2-CD2 4.23Å; I303-M369 HydrophobicContact CD1-CE 4.1Å; I303-M369 HydrophobicContact CG1-CE 4.33Å; I303-M369 HydrophobicContact CG1-CG 4.23Å |
| 304 | C | 85.8 | Confident | 79.6 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 12% | 0.122 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 141.5 | -179 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | L306 N339 H368 Q370 | C304-L306 VanDerWaalsContact C-N 3.33Å; C304-L306 PolarHBondContact O-N 3.47Å; C304-N339 WeakPolarHBondContact CA-OD1 3.34Å; C304-H368 HydrophobicContact CB-CB 4.43Å; C304-H368 PolarHBondContact N-O 3.17Å; C304-Q370 PolarHBondContact SG-OE1 2.83Å |
| 305 | K | 82.7 | Confident | 81.6 | Confident | 159 Ų | 159 | 55.8 Ų | 55.8 | 69% | 0.691 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.3 | 47.2 | 175.4 | -55.8 | -174.2 | 178 | -171.3 | 0 | 113.3 | R338 N339 | K305-R338 PolarHBondContact N-O 3.08Å; K305-N339 PolarHBondContact N-OD1 2.86Å |
| 306 | L | 84 | Confident | 83.3 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 129.8 | 166.1 | -174.6 | 71 | 0 | 0 | 0 | 108.4 | I303 C304 I310 L315 C337 R338 V340 L367 | I303-L306 HydrophobicContact CG2-CB 4.39Å; I303-L306 HydrophobicContact CG2-CD1 4.37Å; C304-L306 VanDerWaalsContact C-N 3.33Å; C304-L306 PolarHBondContact O-N 3.47Å; L306-I310 HydrophobicContact CD1-CB 3.92Å; L306-I310 HydrophobicContact CD1-CD1 3.73Å; L306-I310 HydrophobicContact CD1-CG1 4.42Å; L306-I310 HydrophobicContact CD1-CG2 4Å; L306-I310 HydrophobicContact CD2-CB 4.45Å; L306-I310 HydrophobicContact CD2-CG2 4.34Å; L306-I310 HydrophobicContact CG-CB 4.19Å; L306-I310 HydrophobicContact CG-CG2 4.47Å; L306-L315 HydrophobicContact CD2-CD2 3.94Å; L306-C337 CarbonylContact O-C 3.58Å; L306-C337 WeakPolarHBondContact O-CA 3.34Å; L306-R338 HydrophobicContact CB-CG 4.26Å; L306-R338 WeakPolarHBondContact CB-O 3.46Å; L306-R338 HydrophobicContact CD2-CG 4.45Å; L306-R338 PolarHBondContact N-O 3.42Å; L306-R338 PolarHBondContact O-N 3.34Å; L306-V340 HydrophobicContact CD2-CG2 3.52Å; L306-L367 HydrophobicContact CD1-CD2 3.41Å; L306-L367 VanDerWaalsContact CD1-CD2 3.41Å |
| 307 | S | 83.1 | Confident | 84.7 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 143.3 | 173 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | V309 I310 | S307-V309 PolarHBondContact O-N 3.04Å; S307-V309 PolarHBondContact OG-N 2.88Å; S307-I310 PolarHBondContact O-N 2.82Å; S307-I310 VanDerWaalsContact O-N 3.08Å |
| 308 | T | 81.6 | Confident | 85.3 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 44% | 0.436 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -21.7 | 170.6 | 41.1 | 0 | 0 | 0 | 0 | 113.2 | I310 P335 S336 | T308-I310 PolarHBondContact O-N 3.32Å; T308-P335 VanDerWaalsContact CG2-O 3.3Å; T308-P335 WeakPolarHBondContact CG2-O 3.44Å; T308-S336 PolarHBondContact N-O 3.35Å |
| 309 | V | 83.4 | Confident | 85.4 | Confident | 93 Ų | 93 | 53.4 Ų | 53.4 | 56% | 0.564 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.7 | 174 | -176.2 | 0 | 0 | 0 | 0 | 112.9 | S307 R314 | S307-V309 PolarHBondContact O-N 3.04Å; S307-V309 PolarHBondContact OG-N 2.88Å; V309-R314 PolarHBondContact O-NH1 3.08Å; V309-R314 PolarHBondContact O-NH2 2.77Å |
| 310 | I | 82.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -99.1 | 105 | 169.5 | -61.4 | 166.7 | 0 | 0 | 0 | 108.5 | L306 S307 T308 L315 R338 I362 H365 L367 | L306-I310 HydrophobicContact CD1-CB 3.92Å; L306-I310 HydrophobicContact CD1-CD1 3.73Å; L306-I310 HydrophobicContact CD1-CG1 4.42Å; L306-I310 HydrophobicContact CD1-CG2 4Å; L306-I310 HydrophobicContact CD2-CB 4.45Å; L306-I310 HydrophobicContact CD2-CG2 4.34Å; L306-I310 HydrophobicContact CG-CB 4.19Å; L306-I310 HydrophobicContact CG-CG2 4.47Å; S307-I310 PolarHBondContact O-N 2.82Å; S307-I310 VanDerWaalsContact O-N 3.08Å; T308-I310 PolarHBondContact O-N 3.32Å; I310-L315 HydrophobicContact CG2-CB 4.44Å; I310-R338 PolarHBondContact O-NH2 2.9Å; I310-I362 HydrophobicContact CD1-CB 4.05Å; I310-I362 HydrophobicContact CD1-CG2 4.17Å; I310-I362 HydrophobicContact CG1-CG2 4.26Å; I310-I362 HydrophobicContact CG2-CD1 4.35Å; I310-I362 HydrophobicContact CG2-CG2 4.15Å; I310-H365 HydrophobicContact CD1-CB 3.87Å; I310-L367 HydrophobicContact CD1-CD2 4.2Å |
| 311 | E | 85.3 | Confident | 84.7 | Confident | 118 Ų | 118 | 62.4 Ų | 62.4 | 55% | 0.551 | 31% | 0.312 | S | S | * | . | trans | -67.2 | 158.6 | 176.4 | -63.5 | 158.3 | 135.3 | 0 | 0 | 111.7 | D313 R314 L315 | E311-D313 VanDerWaalsContact C-N 3.32Å; E311-D313 PolarHBondContact O-N 3.16Å; E311-R314 PolarHBondContact O-N 3.47Å; E311-R314 IonicContact OE2-NH1 2.76Å; E311-R314 PolarHBondContact OE2-NH1 3.39Å; E311-R314 VanDerWaalsContact OE2-NH1 3.09Å; E311-L315 PolarHBondContact O-N 2.89Å | ||
| 312 | D | 85.4 | Confident | 84.2 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.8 | -36.9 | -178.7 | -71.1 | -43 | 0 | 0 | 0 | 112.2 | L315 R316 Y327 R338 | D312-L315 PolarHBondContact O-N 2.76Å; D312-R316 WeakPolarHBondContact O-CB 3.47Å; D312-R316 WeakPolarHBondContact O-CD 3.39Å; D312-R316 WeakPolarHBondContact O-CG 3.26Å; D312-R316 PolarHBondContact O-N 2.78Å; D312-Y327 WeakPolarHBondContact CA-OH 3.38Å; D312-Y327 HydrophobicContact CB-CE1 3.83Å; D312-Y327 WeakPolarHBondContact CB-OH 3.05Å; D312-Y327 VanDerWaalsContact CG-OH 3.31Å; D312-Y327 VanDerWaalsContact OD1-CE1 3.28Å; D312-Y327 WeakPolarHBondContact OD1-CE1 3.47Å; D312-Y327 VanDerWaalsContact OD1-CZ 3.3Å; D312-Y327 PolarHBondContact OD1-OH 3.09Å; D312-R338 VanDerWaalsContact N-NH2 3.19Å; D312-R338 IonicContact OD1-CZ 3.04Å; D312-R338 VanDerWaalsContact OD1-CZ 3.25Å; D312-R338 IonicContact OD1-NH1 2.67Å; D312-R338 PolarHBondContact OD1-NH1 3.26Å; D312-R338 IonicContact OD1-NH2 2.64Å; D312-R338 PolarHBondContact OD1-NH2 3.09Å; D312-R338 IonicContact OD2-CZ 2.74Å; D312-R338 IonicContact OD2-NH1 2.62Å; D312-R338 PolarHBondContact OD2-NH1 3.22Å; D312-R338 IonicContact OD2-NH2 2.79Å |
| 313 | D | 85.4 | Confident | 84 | Confident | 102 Ų | 102 | 62.9 Ų | 62.9 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -71.7 | -37.3 | -178.6 | -61.7 | -55.4 | 0 | 0 | 0 | 112.7 | E311 L315 R316 Q317 | E311-D313 VanDerWaalsContact C-N 3.32Å; E311-D313 PolarHBondContact O-N 3.16Å; D313-L315 PolarHBondContact O-N 3.42Å; D313-R316 PolarHBondContact O-N 2.76Å; D313-R316 VanDerWaalsContact O-N 3.1Å; D313-R316 WeakPolarHBondContact OD1-CD 3.44Å; D313-Q317 WeakPolarHBondContact O-CB 3.33Å; D313-Q317 WeakPolarHBondContact O-CG 3.45Å; D313-Q317 PolarHBondContact O-N 2.77Å |
| 314 | R | 85.3 | Confident | 83.9 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 23% | 0.226 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.8 | -26.6 | 175 | -140.2 | 161.3 | 75.9 | -116.6 | 7.3 | 112.6 | V309 E311 Q318 D363 | V309-R314 PolarHBondContact O-NH1 3.08Å; V309-R314 PolarHBondContact O-NH2 2.77Å; E311-R314 PolarHBondContact O-N 3.47Å; E311-R314 IonicContact OE2-NH1 2.76Å; E311-R314 PolarHBondContact OE2-NH1 3.39Å; E311-R314 VanDerWaalsContact OE2-NH1 3.09Å; R314-Q318 PolarHBondContact O-NE2 2.72Å; R314-D363 IonicContact CZ-OD2 2.68Å; R314-D363 IonicContact NE-OD2 2.65Å; R314-D363 PolarHBondContact NE-OD2 3.06Å; R314-D363 IonicContact NH2-OD2 3.02Å; R314-D363 PolarHBondContact NH2-OD2 3.06Å |
| 315 | L | 85.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -82.2 | -39.1 | 169.1 | 174.3 | 57.8 | 0 | 0 | 0 | 112.8 | I303 L306 I310 E311 D312 D313 Q318 F319 Y327 V340 L342 I362 | I303-L315 HydrophobicContact CD1-CD1 3.86Å; I303-L315 HydrophobicContact CD1-CD2 3.83Å; L306-L315 HydrophobicContact CD2-CD2 3.94Å; I310-L315 HydrophobicContact CG2-CB 4.44Å; E311-L315 PolarHBondContact O-N 2.89Å; D312-L315 PolarHBondContact O-N 2.76Å; D313-L315 PolarHBondContact O-N 3.42Å; L315-Q318 WeakPolarHBondContact O-CB 3.26Å; L315-Q318 PolarHBondContact O-N 2.92Å; L315-F319 HydrophobicContact CD1-CE2 4.22Å; L315-F319 WeakPolarHBondContact O-CD2 3.47Å; L315-Y327 HydrophobicContact CD2-CE2 4.41Å; L315-Y327 WeakPolarHBondContact CD2-OH 3.36Å; L315-V340 HydrophobicContact CD2-CB 4.2Å; L315-V340 HydrophobicContact CD2-CG1 3.91Å; L315-V340 HydrophobicContact CD2-CG2 4.21Å; L315-L342 HydrophobicContact CD2-CD1 4.47Å; L315-I362 HydrophobicContact CB-CD1 4.17Å; L315-I362 HydrophobicContact CD1-CD1 3.64Å; L315-I362 HydrophobicContact CG-CD1 4.49Å |
| 316 | R | 85.3 | Confident | 83.8 | Confident | 101 Ų | 101 | 63.9 Ų | 63.9 | 38% | 0.381 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 176.2 | -72.7 | 161.2 | -179.5 | -101.6 | 10.2 | 112 | D312 D313 Q318 F319 I324 Y327 | D312-R316 WeakPolarHBondContact O-CB 3.47Å; D312-R316 WeakPolarHBondContact O-CD 3.39Å; D312-R316 WeakPolarHBondContact O-CG 3.26Å; D312-R316 PolarHBondContact O-N 2.78Å; D313-R316 PolarHBondContact O-N 2.76Å; D313-R316 VanDerWaalsContact O-N 3.1Å; D313-R316 WeakPolarHBondContact OD1-CD 3.44Å; R316-Q318 PolarHBondContact O-N 2.84Å; R316-F319 PolarHBondContact O-N 2.98Å; R316-I324 HydrophobicContact CB-CD1 4.17Å; R316-I324 HydrophobicContact CG-CD1 4Å; R316-Y327 HydrophobicContact CG-CD2 3.86Å; R316-Y327 HydrophobicContact CG-CE2 3.71Å; R316-Y327 VanDerWaalsContact NH2-CD1 3.29Å |
| 317 | Q | 86.6 | Confident | 84 | Confident | 149 Ų | 149 | 65.5 Ų | 65.5 | 70% | 0.696 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -19.7 | 177.1 | -75.2 | 167.8 | 9.5 | 0 | 0 | 113.9 | D313 F319 | D313-Q317 WeakPolarHBondContact O-CB 3.33Å; D313-Q317 WeakPolarHBondContact O-CG 3.45Å; D313-Q317 PolarHBondContact O-N 2.77Å; Q317-F319 PolarHBondContact O-N 2.8Å |
| 318 | Q | 84 | Confident | 84.1 | Confident | 67 Ų | 67 | 66.8 Ų | 66.8 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -15.8 | 175.4 | -55.6 | -61.4 | -43.9 | 0 | 0 | 113 | R314 L315 R316 I353 L357 I362 | R314-Q318 PolarHBondContact O-NE2 2.72Å; L315-Q318 WeakPolarHBondContact O-CB 3.26Å; L315-Q318 PolarHBondContact O-N 2.92Å; R316-Q318 PolarHBondContact O-N 2.84Å; Q318-I353 WeakPolarHBondContact O-CG2 3.4Å; Q318-L357 HydrophobicContact CB-CD1 4.04Å; Q318-L357 HydrophobicContact CB-CD2 4.05Å; Q318-L357 HydrophobicContact CG-CD2 3.82Å; Q318-I362 HydrophobicContact CG-CD1 3.88Å; Q318-I362 HydrophobicContact CG-CG1 4.32Å |
| 319 | F | 86 | Confident | 84.3 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -110.9 | 147.7 | -178.8 | -59.7 | -83.1 | 0 | 0 | 0 | 111.2 | L315 R316 Q317 I324 L342 L344 I353 V354 L357 | L315-F319 HydrophobicContact CD1-CE2 4.22Å; L315-F319 WeakPolarHBondContact O-CD2 3.47Å; R316-F319 PolarHBondContact O-N 2.98Å; Q317-F319 PolarHBondContact O-N 2.8Å; F319-I324 HydrophobicContact CB-CD1 4.16Å; F319-I324 HydrophobicContact CB-CG1 3.97Å; F319-I324 HydrophobicContact CD2-CD1 4.04Å; F319-I324 HydrophobicContact CD2-CG1 4.38Å; F319-I324 HydrophobicContact CG-CD1 4.34Å; F319-I324 HydrophobicContact CG-CG1 4.24Å; F319-L342 HydrophobicContact CE2-CD1 4.14Å; F319-L342 HydrophobicContact CE2-CD2 4.19Å; F319-L342 HydrophobicContact CZ-CD1 4.28Å; F319-L344 HydrophobicContact CD1-CD1 3.83Å; F319-L344 HydrophobicContact CD1-CD2 4.13Å; F319-L344 HydrophobicContact CE1-CD1 3.39Å; F319-L344 HydrophobicContact CE1-CD2 4.25Å; F319-L344 HydrophobicContact CE1-CG 4.48Å; F319-L344 HydrophobicContact CG-CD2 4.48Å; F319-L344 HydrophobicContact CZ-CD1 4.12Å; F319-I353 HydrophobicContact CD1-CG2 3.7Å; F319-I353 HydrophobicContact CE1-CB 4.48Å; F319-I353 HydrophobicContact CE1-CG2 3.59Å; F319-I353 HydrophobicContact CG-CG2 4.41Å; F319-I353 HydrophobicContact CZ-CG2 4.23Å; F319-V354 HydrophobicContact CE1-CG2 3.92Å; F319-V354 HydrophobicContact CZ-CG2 4.43Å; F319-L357 HydrophobicContact CE1-CD1 4.31Å; F319-L357 HydrophobicContact CE2-CD1 4.04Å; F319-L357 HydrophobicContact CZ-CD1 3.63Å |
| 320 | P | 82.8 | Confident | 84.3 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 38% | 0.377 | 33% | 0.334 | S | S | . | . | trans | -64.1 | 147.3 | 177.3 | -17.5 | 31.2 | 0 | 0 | 0 | 111.1 | G322 S323 N350 I353 | P320-G322 PolarHBondContact O-N 2.81Å; P320-S323 WeakPolarHBondContact O-CB 3.44Å; P320-S323 PolarHBondContact O-N 2.83Å; P320-S323 PolarHBondContact O-OG 3.05Å; P320-N350 WeakPolarHBondContact CD-OD1 3.48Å; P320-I353 HydrophobicContact CG-CD1 4.09Å | ||
| 321 | L | 78 | Confident | 84.4 | Confident | 182 Ų | 182 | 68.6 Ų | 68.6 | 95% | 0.953 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 134.1 | 175.4 | -64.9 | 174.7 | 0 | 0 | 0 | 110.8 | S323 | L321-S323 VanDerWaalsContact C-N 3.26Å; L321-S323 PolarHBondContact O-N 2.77Å |
| 322 | G | 78.4 | Confident | 84.2 | Confident | 50 Ų | 50 | 65.1 Ų | 65.1 | 52% | 0.515 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 7.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | P320 K345 | P320-G322 PolarHBondContact O-N 2.81Å; G322-K345 WeakPolarHBondContact O-CD 3.3Å; G322-K345 WeakPolarHBondContact O-CE 3.46Å; G322-K345 PolarHBondContact O-NZ 2.96Å |
| 323 | S | 85.7 | Confident | 84.1 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 8% | 0.077 | 39% | 0.388 | C | S | . | . | trans | -82.3 | -29.6 | 172.8 | -78.3 | 0 | 0 | 0 | 0 | 114.3 | P320 L321 K345 N350 | P320-S323 WeakPolarHBondContact O-CB 3.44Å; P320-S323 PolarHBondContact O-N 2.83Å; P320-S323 PolarHBondContact O-OG 3.05Å; L321-S323 VanDerWaalsContact C-N 3.26Å; L321-S323 PolarHBondContact O-N 2.77Å; S323-K345 PolarHBondContact O-N 2.7Å; S323-N350 VanDerWaalsContact CB-ND2 3.32Å; S323-N350 WeakPolarHBondContact CB-ND2 3.44Å; S323-N350 VanDerWaalsContact CB-OD1 3.31Å; S323-N350 WeakPolarHBondContact CB-OD1 3.33Å; S323-N350 PolarHBondContact OG-ND2 3.41Å; S323-N350 PolarHBondContact OG-OD1 3.36Å | ||
| 324 | I | 85.9 | Confident | 83.9 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 20% | 0.2 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 131.7 | 173.2 | -49.3 | 177.8 | 0 | 0 | 0 | 108.1 | R316 F319 E326 Y327 L342 L344 | R316-I324 HydrophobicContact CB-CD1 4.17Å; R316-I324 HydrophobicContact CG-CD1 4Å; F319-I324 HydrophobicContact CB-CD1 4.16Å; F319-I324 HydrophobicContact CB-CG1 3.97Å; F319-I324 HydrophobicContact CD2-CD1 4.04Å; F319-I324 HydrophobicContact CD2-CG1 4.38Å; F319-I324 HydrophobicContact CG-CD1 4.34Å; F319-I324 HydrophobicContact CG-CG1 4.24Å; I324-E326 WeakPolarHBondContact CG2-O 3.46Å; I324-Y327 HydrophobicContact CD1-CD2 4.43Å; I324-L342 HydrophobicContact CD1-CD2 3.97Å; I324-L342 HydrophobicContact CG1-CD2 4.3Å; I324-L342 HydrophobicContact CG2-CD2 4.07Å; I324-L344 HydrophobicContact CB-CD2 4.21Å; I324-L344 HydrophobicContact CG1-CD2 3.8Å; I324-L344 HydrophobicContact CG2-CD2 4.35Å |
| 325 | I | 83.9 | Confident | 83.7 | Confident | 87 Ų | 87 | 71.3 Ų | 71.3 | 45% | 0.446 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -38.9 | 177.7 | -56 | 171.2 | 0 | 0 | 0 | 109.9 | T298 T343 K345 | T298-I325 HydrophobicContact CG2-CD1 3.38Å; I325-T343 HydrophobicContact CB-CG2 4.37Å; I325-T343 WeakPolarHBondContact CB-O 3.27Å; I325-T343 HydrophobicContact CD1-CG2 4.5Å; I325-T343 PolarHBondContact N-O 3.21Å; I325-K345 HydrophobicContact CD1-CB 4.42Å; I325-K345 HydrophobicContact CD1-CG 3.66Å; I325-K345 HydrophobicContact CG1-CG 3.76Å |
| 326 | E | 82.7 | Confident | 83.6 | Confident | 72 Ų | 72 | 74.7 Ų | 74.7 | 34% | 0.336 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 138.8 | 179.8 | -164.7 | 179.5 | -178.8 | 0 | 0 | 108.6 | I324 T343 K374 | I324-E326 WeakPolarHBondContact CG2-O 3.46Å; E326-T343 PolarHBondContact N-O 3.33Å; E326-T343 PolarHBondContact O-N 3.19Å; E326-T343 PolarHBondContact OE2-OG1 3.14Å; E326-T343 VanDerWaalsContact OE2-OG1 3.13Å; E326-K374 IonicContact OE1-NZ 2.65Å; E326-K374 PolarHBondContact OE1-NZ 3.01Å; E326-K374 WeakPolarHBondContact OE2-CD 3.3Å; E326-K374 IonicContact OE2-NZ 2.89Å; E326-K374 PolarHBondContact OE2-NZ 3.13Å |
| 327 | Y | 87.4 | Confident | 83.6 | Confident | 36 Ų | 36 | 71.2 Ų | 71.2 | 14% | 0.141 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 122.6 | 176.1 | -170 | -75.4 | 0 | 0 | 0 | 108.2 | D312 L315 R316 I324 V340 F341 L342 | D312-Y327 WeakPolarHBondContact CA-OH 3.38Å; D312-Y327 HydrophobicContact CB-CE1 3.83Å; D312-Y327 WeakPolarHBondContact CB-OH 3.05Å; D312-Y327 VanDerWaalsContact CG-OH 3.31Å; D312-Y327 VanDerWaalsContact OD1-CE1 3.28Å; D312-Y327 WeakPolarHBondContact OD1-CE1 3.47Å; D312-Y327 VanDerWaalsContact OD1-CZ 3.3Å; D312-Y327 PolarHBondContact OD1-OH 3.09Å; L315-Y327 HydrophobicContact CD2-CE2 4.41Å; L315-Y327 WeakPolarHBondContact CD2-OH 3.36Å; R316-Y327 HydrophobicContact CG-CD2 3.86Å; R316-Y327 HydrophobicContact CG-CE2 3.71Å; R316-Y327 VanDerWaalsContact NH2-CD1 3.29Å; I324-Y327 HydrophobicContact CD1-CD2 4.43Å; Y327-V340 HydrophobicContact CD2-CG1 4.5Å; Y327-V340 HydrophobicContact CE1-CG1 3.97Å; Y327-V340 HydrophobicContact CE2-CG1 3.8Å; Y327-V340 VanDerWaalsContact CZ-CG1 3.48Å; Y327-V340 WeakPolarHBondContact OH-CG1 3.38Å; Y327-F341 WeakPolarHBondContact CA-O 3.31Å; Y327-L342 HydrophobicContact CD2-CD2 3.48Å; Y327-L342 VanDerWaalsContact CD2-CD2 3.48Å; Y327-L342 HydrophobicContact CD2-CG 4.2Å; Y327-L342 HydrophobicContact CE2-CD2 3.76Å; Y327-L342 HydrophobicContact CE2-CG 4.3Å |
| 328 | C | 84.9 | Confident | 83.6 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 38% | 0.378 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 120.6 | 176.9 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | V330 V340 F341 | C328-V330 VanDerWaalsContact SG-CG2 3.58Å; C328-V340 CarbonylContact O-C 3.56Å; C328-V340 WeakPolarHBondContact O-CA 3.49Å; C328-F341 HydrophobicContact CB-CB 4.38Å; C328-F341 PolarHBondContact N-O 3.07Å; C328-F341 PolarHBondContact O-N 2.92Å |
| 329 | S | 86.2 | Confident | 83.7 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 27% | 0.266 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.5 | 173.1 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | R338 | S329-R338 PolarHBondContact OG-NH1 3.14Å; S329-R338 VanDerWaalsContact OG-NH1 3.08Å |
| 330 | V | 84.5 | Confident | 83.8 | Confident | 59 Ų | 59 | 63.1 Ų | 63.1 | 36% | 0.358 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.9 | -176.8 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | C328 R338 N339 F341 | C328-V330 VanDerWaalsContact SG-CG2 3.58Å; V330-R338 CarbonylContact O-C 3.59Å; V330-R338 WeakPolarHBondContact O-CA 3.19Å; V330-N339 PolarHBondContact N-O 3.31Å; V330-N339 PolarHBondContact O-N 2.99Å; V330-F341 HydrophobicContact CB-CE2 4.19Å; V330-F341 HydrophobicContact CG2-CD2 3.98Å; V330-F341 HydrophobicContact CG2-CE2 3.76Å |
| 331 | P | 82.8 | Confident | 84.1 | Confident | 105 Ų | 105 | 62.1 Ų | 62.1 | 68% | 0.682 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 154.2 | 175 | 26 | -33.7 | 0 | 0 | 0 | 111.2 | ||
| 332 | T | 82.6 | Confident | 84.6 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 28% | 0.276 | 33% | 0.328 | S | S | . | . | trans | -106.5 | 164.3 | 173 | -36.9 | 0 | 0 | 0 | 0 | 108.7 | N334 C337 N339 | T332-N334 CarbonylContact O-C 3.39Å; T332-N334 PolarHBondContact O-N 2.76Å; T332-C337 WeakPolarHBondContact CB-O 3.31Å; T332-C337 PolarHBondContact N-O 3.47Å; T332-C337 PolarHBondContact OG1-O 3.27Å; T332-N339 PolarHBondContact OG1-ND2 2.94Å | ||
| 333 | S | 83.4 | Confident | 85.1 | Confident | 132 Ų | 132 | 51.9 Ų | 51.9 | 92% | 0.923 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -57.5 | -3.9 | 173.5 | -35.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 334 | N | 81.2 | Confident | 85.2 | Confident | 85 Ų | 85 | 51.3 Ų | 51.3 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -110.8 | 118.3 | 165.1 | 176.9 | -44.8 | 0 | 0 | 0 | 107.2 | T332 S336 C337 | T332-N334 CarbonylContact O-C 3.39Å; T332-N334 PolarHBondContact O-N 2.76Å; N334-S336 PolarHBondContact O-N 2.85Å; N334-S336 WeakPolarHBondContact OD1-CB 3.45Å; N334-S336 PolarHBondContact OD1-N 3.05Å; N334-C337 HydrophobicContact CB-CB 4.46Å; N334-C337 PolarHBondContact O-N 2.76Å; N334-C337 VanDerWaalsContact O-O 3.09Å |
| 335 | P | 80.2 | Confident | 85.2 | Confident | 115 Ų | 115 | 53.4 Ų | 53.4 | 75% | 0.747 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.4 | -171.4 | 25.6 | -34.9 | 0 | 0 | 0 | 113.6 | T308 C337 | T308-P335 VanDerWaalsContact CG2-O 3.3Å; T308-P335 WeakPolarHBondContact CG2-O 3.44Å; P335-C337 PolarHBondContact O-N 3.18Å |
| 336 | S | 83 | Confident | 85.3 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 49% | 0.49 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 4.9 | 175.8 | -46.9 | 0 | 0 | 0 | 0 | 113.4 | T308 N334 | T308-S336 PolarHBondContact N-O 3.35Å; N334-S336 PolarHBondContact O-N 2.85Å; N334-S336 WeakPolarHBondContact OD1-CB 3.45Å; N334-S336 PolarHBondContact OD1-N 3.05Å |
| 337 | C | 85.7 | Confident | 85.4 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 129.9 | -173 | -83.8 | 0 | 0 | 0 | 0 | 113.3 | L306 T332 N334 P335 | L306-C337 CarbonylContact O-C 3.58Å; L306-C337 WeakPolarHBondContact O-CA 3.34Å; T332-C337 WeakPolarHBondContact CB-O 3.31Å; T332-C337 PolarHBondContact N-O 3.47Å; T332-C337 PolarHBondContact OG1-O 3.27Å; N334-C337 HydrophobicContact CB-CB 4.46Å; N334-C337 PolarHBondContact O-N 2.76Å; N334-C337 VanDerWaalsContact O-O 3.09Å; P335-C337 PolarHBondContact O-N 3.18Å |
| 338 | R | 86.2 | Confident | 85.3 | Confident | 35 Ų | 35 | 57 Ų | 57 | 13% | 0.132 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 157.5 | 173.9 | 60.7 | -147.1 | -168.4 | 107 | 18.8 | 112.2 | K305 L306 I310 D312 S329 V330 | K305-R338 PolarHBondContact N-O 3.08Å; L306-R338 HydrophobicContact CB-CG 4.26Å; L306-R338 WeakPolarHBondContact CB-O 3.46Å; L306-R338 HydrophobicContact CD2-CG 4.45Å; L306-R338 PolarHBondContact N-O 3.42Å; L306-R338 PolarHBondContact O-N 3.34Å; I310-R338 PolarHBondContact O-NH2 2.9Å; D312-R338 VanDerWaalsContact N-NH2 3.19Å; D312-R338 IonicContact OD1-CZ 3.04Å; D312-R338 VanDerWaalsContact OD1-CZ 3.25Å; D312-R338 IonicContact OD1-NH1 2.67Å; D312-R338 PolarHBondContact OD1-NH1 3.26Å; D312-R338 IonicContact OD1-NH2 2.64Å; D312-R338 PolarHBondContact OD1-NH2 3.09Å; D312-R338 IonicContact OD2-CZ 2.74Å; D312-R338 IonicContact OD2-NH1 2.62Å; D312-R338 PolarHBondContact OD2-NH1 3.22Å; D312-R338 IonicContact OD2-NH2 2.79Å; S329-R338 PolarHBondContact OG-NH1 3.14Å; S329-R338 VanDerWaalsContact OG-NH1 3.08Å; V330-R338 CarbonylContact O-C 3.59Å; V330-R338 WeakPolarHBondContact O-CA 3.19Å |
| 339 | N | 87.1 | Confident | 85.4 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 117.7 | 174 | -59.8 | -71.5 | 0 | 0 | 0 | 108.6 | I303 C304 K305 V330 T332 F341 | I303-N339 CarbonylContact O-C 3.59Å; I303-N339 WeakPolarHBondContact O-CA 3.18Å; C304-N339 WeakPolarHBondContact CA-OD1 3.34Å; K305-N339 PolarHBondContact N-OD1 2.86Å; V330-N339 PolarHBondContact N-O 3.31Å; V330-N339 PolarHBondContact O-N 2.99Å; T332-N339 PolarHBondContact OG1-ND2 2.94Å; N339-F341 HydrophobicContact CB-CE2 4.04Å |
| 340 | V | 88.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.4 | 178.4 | 178.8 | 0 | 0 | 0 | 0 | 110 | K302 I303 L306 L315 Y327 C328 L342 | K302-V340 CarbonylContact C-O 3.13Å; K302-V340 WeakPolarHBondContact CA-O 3.34Å; I303-V340 HydrophobicContact CB-CB 4.38Å; I303-V340 PolarHBondContact N-O 2.8Å; I303-V340 PolarHBondContact O-N 3.35Å; L306-V340 HydrophobicContact CD2-CG2 3.52Å; L315-V340 HydrophobicContact CD2-CB 4.2Å; L315-V340 HydrophobicContact CD2-CG1 3.91Å; L315-V340 HydrophobicContact CD2-CG2 4.21Å; Y327-V340 HydrophobicContact CD2-CG1 4.5Å; Y327-V340 HydrophobicContact CE1-CG1 3.97Å; Y327-V340 HydrophobicContact CE2-CG1 3.8Å; Y327-V340 VanDerWaalsContact CZ-CG1 3.48Å; Y327-V340 WeakPolarHBondContact OH-CG1 3.38Å; C328-V340 CarbonylContact O-C 3.56Å; C328-V340 WeakPolarHBondContact O-CA 3.49Å; V340-L342 HydrophobicContact CG1-CD1 4.21Å; V340-L342 HydrophobicContact CG1-CG 4.15Å |
| 341 | F | 89 | Confident | 85.5 | Confident | 37 Ų | 37 | 56 Ų | 56 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.4 | 174.1 | -58.4 | -98.3 | 0 | 0 | 0 | 108.9 | I301 K302 Y327 C328 V330 N339 W372 | I301-F341 WeakPolarHBondContact O-CA 3.3Å; K302-F341 HydrophobicContact CB-CD1 4.1Å; K302-F341 HydrophobicContact CB-CE1 4.16Å; K302-F341 HydrophobicContact CD-CD1 4.37Å; K302-F341 HydrophobicContact CD-CE1 3.6Å; K302-F341 HydrophobicContact CD-CZ 3.91Å; K302-F341 HydrophobicContact CG-CD1 3.98Å; K302-F341 HydrophobicContact CG-CE1 3.69Å; K302-F341 HydrophobicContact CG-CZ 4.12Å; Y327-F341 WeakPolarHBondContact CA-O 3.31Å; C328-F341 HydrophobicContact CB-CB 4.38Å; C328-F341 PolarHBondContact N-O 3.07Å; C328-F341 PolarHBondContact O-N 2.92Å; V330-F341 HydrophobicContact CB-CE2 4.19Å; V330-F341 HydrophobicContact CG2-CD2 3.98Å; V330-F341 HydrophobicContact CG2-CE2 3.76Å; N339-F341 HydrophobicContact CB-CE2 4.04Å; F341-W372 AromaticContact CD1-CD2 3.86Å; F341-W372 HydrophobicContact CD1-CD2 3.86Å; F341-W372 AromaticContact CD1-CE2 3.64Å; F341-W372 HydrophobicContact CD1-CE3 4.41Å; F341-W372 HydrophobicContact CD1-CG 4.11Å; F341-W372 HydrophobicContact CD1-CZ2 4.04Å; F341-W372 AromaticContact CD1-NE1 3.75Å; F341-W372 AromaticContact CE1-CD2 3.93Å; F341-W372 HydrophobicContact CE1-CD2 3.93Å; F341-W372 AromaticContact CE1-CE2 3.75Å; F341-W372 HydrophobicContact CE1-CE3 4.05Å; F341-W372 AromaticContact CE1-CH2 3.87Å; F341-W372 HydrophobicContact CE1-CH2 3.87Å; F341-W372 AromaticContact CE1-CZ2 3.72Å; F341-W372 HydrophobicContact CE1-CZ2 3.72Å; F341-W372 HydrophobicContact CE1-CZ3 4.03Å |
| 342 | L | 88.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 122.7 | -179.9 | -76.9 | 144.7 | 0 | 0 | 0 | 108.7 | G300 I301 I303 L315 F319 I324 Y327 V340 L344 | G300-L342 CarbonylContact C-O 3.54Å; G300-L342 VanDerWaalsContact CA-O 3.26Å; G300-L342 WeakPolarHBondContact CA-O 3.37Å; I301-L342 HydrophobicContact CB-CB 4.32Å; I301-L342 PolarHBondContact N-O 3.45Å; I301-L342 PolarHBondContact O-N 3.43Å; I303-L342 HydrophobicContact CD1-CD1 3.82Å; I303-L342 HydrophobicContact CG1-CD1 4.28Å; L315-L342 HydrophobicContact CD2-CD1 4.47Å; F319-L342 HydrophobicContact CE2-CD1 4.14Å; F319-L342 HydrophobicContact CE2-CD2 4.19Å; F319-L342 HydrophobicContact CZ-CD1 4.28Å; I324-L342 HydrophobicContact CD1-CD2 3.97Å; I324-L342 HydrophobicContact CG1-CD2 4.3Å; I324-L342 HydrophobicContact CG2-CD2 4.07Å; Y327-L342 HydrophobicContact CD2-CD2 3.48Å; Y327-L342 VanDerWaalsContact CD2-CD2 3.48Å; Y327-L342 HydrophobicContact CD2-CG 4.2Å; Y327-L342 HydrophobicContact CE2-CD2 3.76Å; Y327-L342 HydrophobicContact CE2-CG 4.3Å; V340-L342 HydrophobicContact CG1-CD1 4.21Å; V340-L342 HydrophobicContact CG1-CG 4.15Å; L342-L344 HydrophobicContact CB-CD2 4.31Å; L342-L344 HydrophobicContact CB-CG 4.48Å; L342-L344 HydrophobicContact CD2-CD2 4.21Å |
| 343 | T | 88.1 | Confident | 86 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.1 | 164.7 | -55.9 | 0 | 0 | 0 | 0 | 107.8 | T298 I325 E326 | T298-T343 HydrophobicContact CG2-CG2 4.08Å; I325-T343 HydrophobicContact CB-CG2 4.37Å; I325-T343 WeakPolarHBondContact CB-O 3.27Å; I325-T343 HydrophobicContact CD1-CG2 4.5Å; I325-T343 PolarHBondContact N-O 3.21Å; E326-T343 PolarHBondContact N-O 3.33Å; E326-T343 PolarHBondContact O-N 3.19Å; E326-T343 PolarHBondContact OE2-OG1 3.14Å; E326-T343 VanDerWaalsContact OE2-OG1 3.13Å |
| 344 | L | 87.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 150.6 | -175.8 | -57.2 | -176.8 | 0 | 0 | 0 | 111.5 | T298 F299 I301 F319 I324 L342 N346 N350 V354 | T298-L344 CarbonylContact C-O 3.51Å; T298-L344 VanDerWaalsContact CA-O 3.24Å; T298-L344 WeakPolarHBondContact CA-O 3.29Å; F299-L344 HydrophobicContact CD1-CB 4.17Å; F299-L344 HydrophobicContact CE1-CB 3.8Å; F299-L344 HydrophobicContact CE1-CD1 4.34Å; F299-L344 HydrophobicContact CE2-CD1 4.23Å; F299-L344 HydrophobicContact CZ-CB 4.12Å; F299-L344 HydrophobicContact CZ-CD1 3.82Å; F299-L344 PolarHBondContact N-O 3.41Å; F299-L344 PolarHBondContact O-N 3.21Å; I301-L344 HydrophobicContact CD1-CD1 3.59Å; I301-L344 HydrophobicContact CD1-CG 4.32Å; F319-L344 HydrophobicContact CD1-CD1 3.83Å; F319-L344 HydrophobicContact CD1-CD2 4.13Å; F319-L344 HydrophobicContact CE1-CD1 3.39Å; F319-L344 HydrophobicContact CE1-CD2 4.25Å; F319-L344 HydrophobicContact CE1-CG 4.48Å; F319-L344 HydrophobicContact CG-CD2 4.48Å; F319-L344 HydrophobicContact CZ-CD1 4.12Å; I324-L344 HydrophobicContact CB-CD2 4.21Å; I324-L344 HydrophobicContact CG1-CD2 3.8Å; I324-L344 HydrophobicContact CG2-CD2 4.35Å; L342-L344 HydrophobicContact CB-CD2 4.31Å; L342-L344 HydrophobicContact CB-CG 4.48Å; L342-L344 HydrophobicContact CD2-CD2 4.21Å; L344-N346 PolarHBondContact O-N 2.95Å; L344-N350 HydrophobicContact CD1-CB 4.22Å; L344-V354 HydrophobicContact CD1-CG2 3.89Å |
| 345 | K | 85.9 | Confident | 86.5 | Confident | 83 Ų | 83 | 51.4 Ų | 51.4 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 131.4 | 163.4 | -67.3 | 175.8 | 179.5 | 164.9 | 0 | 109.3 | G322 S323 I325 I347 N350 | G322-K345 WeakPolarHBondContact O-CD 3.3Å; G322-K345 WeakPolarHBondContact O-CE 3.46Å; G322-K345 PolarHBondContact O-NZ 2.96Å; S323-K345 PolarHBondContact O-N 2.7Å; I325-K345 HydrophobicContact CD1-CB 4.42Å; I325-K345 HydrophobicContact CD1-CG 3.66Å; I325-K345 HydrophobicContact CG1-CG 3.76Å; K345-I347 HydrophobicContact CB-CD1 3.72Å; K345-I347 HydrophobicContact CB-CG1 3.94Å; K345-I347 HydrophobicContact CD-CD1 4.22Å; K345-I347 PolarHBondContact O-N 2.81Å; K345-N350 PolarHBondContact O-ND2 2.82Å |
| 346 | N | 85.5 | Confident | 86.8 | Confident | 69 Ų | 69 | 51.8 Ų | 51.8 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | trans | -74.6 | 65.7 | -179.4 | -170.6 | 15.4 | 0 | 0 | 0 | 112.1 | S297 F299 L344 Q351 | S297-N346 WeakPolarHBondContact O-CB 3.38Å; S297-N346 PolarHBondContact O-N 2.96Å; S297-N346 PolarHBondContact OG-ND2 3.06Å; F299-N346 HydrophobicContact CD1-CB 4.06Å; L344-N346 PolarHBondContact O-N 2.95Å; N346-Q351 PolarHBondContact OD1-NE2 2.99Å | ||
| 347 | I | 84.2 | Confident | 87 | Confident | 76 Ų | 76 | 48.6 Ų | 48.6 | 39% | 0.39 | 24% | 0.244 | S | C | . | . | trans | -107.2 | 143.4 | 179.3 | -57.5 | 170 | 0 | 0 | 0 | 107.9 | K345 S349 N350 Q351 | K345-I347 HydrophobicContact CB-CD1 3.72Å; K345-I347 HydrophobicContact CB-CG1 3.94Å; K345-I347 HydrophobicContact CD-CD1 4.22Å; K345-I347 PolarHBondContact O-N 2.81Å; I347-S349 PolarHBondContact O-N 3.44Å; I347-N350 WeakPolarHBondContact O-CB 3.14Å; I347-N350 PolarHBondContact O-N 3.02Å; I347-Q351 PolarHBondContact O-N 3.27Å; I347-Q351 VanDerWaalsContact O-N 3.13Å | ||
| 348 | I | 86 | Confident | 87 | Confident | 124 Ų | 124 | 55.3 Ų | 55.3 | 64% | 0.636 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -54 | -42.1 | -178.1 | -60.6 | 175 | 0 | 0 | 0 | 111.3 | N350 Q351 L352 | I348-N350 VanDerWaalsContact C-N 3.32Å; I348-N350 PolarHBondContact O-N 3.17Å; I348-Q351 WeakPolarHBondContact O-CB 3.47Å; I348-Q351 PolarHBondContact O-N 2.93Å; I348-Q351 VanDerWaalsContact O-N 3.12Å; I348-L352 HydrophobicContact CG2-CD1 4.02Å; I348-L352 HydrophobicContact CG2-CG 4.29Å; I348-L352 WeakPolarHBondContact O-CG 3.38Å; I348-L352 PolarHBondContact O-N 3.25Å |
| 349 | S | 87 | Confident | 86.9 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 44% | 0.441 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -54.2 | -45.1 | 175.9 | -42.4 | 0 | 0 | 0 | 0 | 112.6 | I347 L352 I353 | I347-S349 PolarHBondContact O-N 3.44Å; S349-L352 PolarHBondContact O-N 2.86Å; S349-I353 WeakPolarHBondContact O-CD1 3.43Å; S349-I353 WeakPolarHBondContact O-CG1 3.43Å; S349-I353 PolarHBondContact O-N 2.99Å |
| 350 | N | 87.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 177.4 | -66.2 | -26.6 | 0 | 0 | 0 | 111 | F299 P320 S323 L344 K345 I347 I348 L352 I353 V354 | F299-N350 HydrophobicContact CE1-CB 3.99Å; F299-N350 HydrophobicContact CZ-CB 4Å; P320-N350 WeakPolarHBondContact CD-OD1 3.48Å; S323-N350 VanDerWaalsContact CB-ND2 3.32Å; S323-N350 WeakPolarHBondContact CB-ND2 3.44Å; S323-N350 VanDerWaalsContact CB-OD1 3.31Å; S323-N350 WeakPolarHBondContact CB-OD1 3.33Å; S323-N350 PolarHBondContact OG-ND2 3.41Å; S323-N350 PolarHBondContact OG-OD1 3.36Å; L344-N350 HydrophobicContact CD1-CB 4.22Å; K345-N350 PolarHBondContact O-ND2 2.82Å; I347-N350 WeakPolarHBondContact O-CB 3.14Å; I347-N350 PolarHBondContact O-N 3.02Å; I348-N350 VanDerWaalsContact C-N 3.32Å; I348-N350 PolarHBondContact O-N 3.17Å; N350-L352 VanDerWaalsContact C-N 3.26Å; N350-L352 PolarHBondContact O-N 2.97Å; N350-I353 PolarHBondContact O-N 3.17Å; N350-V354 WeakPolarHBondContact O-CB 3.35Å; N350-V354 WeakPolarHBondContact O-CG2 3.44Å; N350-V354 PolarHBondContact O-N 3.02Å |
| 351 | Q | 85.9 | Confident | 86.1 | Confident | 70 Ų | 70 | 71.1 Ų | 71.1 | 33% | 0.327 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.4 | -33.8 | 174.4 | -61.4 | -171.9 | 13.9 | 0 | 0 | 112.9 | F299 N346 I347 I348 K355 | F299-Q351 HydrophobicContact CE1-CG 4.28Å; F299-Q351 HydrophobicContact CZ-CG 4.14Å; N346-Q351 PolarHBondContact OD1-NE2 2.99Å; I347-Q351 PolarHBondContact O-N 3.27Å; I347-Q351 VanDerWaalsContact O-N 3.13Å; I348-Q351 WeakPolarHBondContact O-CB 3.47Å; I348-Q351 PolarHBondContact O-N 2.93Å; I348-Q351 VanDerWaalsContact O-N 3.12Å; Q351-K355 VanDerWaalsContact O-CD 3.28Å; Q351-K355 WeakPolarHBondContact O-CD 3.48Å; Q351-K355 WeakPolarHBondContact O-CG 3.38Å; Q351-K355 PolarHBondContact O-N 2.93Å |
| 352 | L | 87.7 | Confident | 85.7 | Confident | 103 Ų | 103 | 69.7 Ų | 69.7 | 54% | 0.539 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -72.1 | -44.5 | 176.6 | -70.8 | 172.3 | 0 | 0 | 0 | 111.8 | I348 S349 N350 V354 K355 K356 | I348-L352 HydrophobicContact CG2-CD1 4.02Å; I348-L352 HydrophobicContact CG2-CG 4.29Å; I348-L352 WeakPolarHBondContact O-CG 3.38Å; I348-L352 PolarHBondContact O-N 3.25Å; S349-L352 PolarHBondContact O-N 2.86Å; N350-L352 VanDerWaalsContact C-N 3.26Å; N350-L352 PolarHBondContact O-N 2.97Å; L352-V354 VanDerWaalsContact C-N 3.31Å; L352-V354 PolarHBondContact O-N 3.05Å; L352-K355 CarbonylContact O-C 3.45Å; L352-K355 WeakPolarHBondContact O-CB 3.24Å; L352-K355 PolarHBondContact O-N 2.82Å; L352-K355 VanDerWaalsContact O-N 3.16Å; L352-K356 PolarHBondContact O-N 2.81Å |
| 353 | I | 87.5 | Confident | 84.8 | Confident | 33 Ų | 33 | 74.1 Ų | 74.1 | 17% | 0.169 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 175 | -73.1 | 162.7 | 0 | 0 | 0 | 110.8 | Q318 F319 P320 S349 N350 K355 K356 L357 | Q318-I353 WeakPolarHBondContact O-CG2 3.4Å; F319-I353 HydrophobicContact CD1-CG2 3.7Å; F319-I353 HydrophobicContact CE1-CB 4.48Å; F319-I353 HydrophobicContact CE1-CG2 3.59Å; F319-I353 HydrophobicContact CG-CG2 4.41Å; F319-I353 HydrophobicContact CZ-CG2 4.23Å; P320-I353 HydrophobicContact CG-CD1 4.09Å; S349-I353 WeakPolarHBondContact O-CD1 3.43Å; S349-I353 WeakPolarHBondContact O-CG1 3.43Å; S349-I353 PolarHBondContact O-N 2.99Å; N350-I353 PolarHBondContact O-N 3.17Å; I353-K355 VanDerWaalsContact C-N 3.32Å; I353-K355 PolarHBondContact O-N 2.96Å; I353-K356 CarbonylContact O-C 3.53Å; I353-K356 WeakPolarHBondContact O-CA 3.1Å; I353-K356 WeakPolarHBondContact O-CB 3.43Å; I353-K356 PolarHBondContact O-N 3.03Å; I353-L357 HydrophobicContact CG2-CD1 3.86Å; I353-L357 HydrophobicContact CG2-CG 4.3Å; I353-L357 WeakPolarHBondContact O-CG 3.38Å; I353-L357 PolarHBondContact O-N 3.33Å |
| 354 | V | 87.7 | Confident | 84.1 | Confident | 23 Ų | 23 | 82.7 Ų | 82.7 | 14% | 0.139 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | F299 I301 F319 L344 N350 L352 R358 M369 | F299-V354 HydrophobicContact CE2-CG2 4.11Å; F299-V354 HydrophobicContact CZ-CG2 4.21Å; I301-V354 HydrophobicContact CD1-CB 4.19Å; I301-V354 HydrophobicContact CD1-CG1 3.82Å; I301-V354 HydrophobicContact CD1-CG2 3.24Å; F319-V354 HydrophobicContact CE1-CG2 3.92Å; F319-V354 HydrophobicContact CZ-CG2 4.43Å; L344-V354 HydrophobicContact CD1-CG2 3.89Å; N350-V354 WeakPolarHBondContact O-CB 3.35Å; N350-V354 WeakPolarHBondContact O-CG2 3.44Å; N350-V354 PolarHBondContact O-N 3.02Å; L352-V354 VanDerWaalsContact C-N 3.31Å; L352-V354 PolarHBondContact O-N 3.05Å; V354-R358 VanDerWaalsContact O-CB 3.3Å; V354-R358 WeakPolarHBondContact O-CB 3.26Å; V354-R358 PolarHBondContact O-N 3.43Å; V354-M369 HydrophobicContact CG1-CE 4.02Å |
| 355 | K | 87.2 | Confident | 83.4 | Confident | 111 Ų | 111 | 86.7 Ų | 86.7 | 48% | 0.483 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69 | -32 | 172.1 | -70 | 162 | -170.5 | 164.4 | 0 | 112.4 | Q351 L352 I353 R359 | Q351-K355 VanDerWaalsContact O-CD 3.28Å; Q351-K355 WeakPolarHBondContact O-CD 3.48Å; Q351-K355 WeakPolarHBondContact O-CG 3.38Å; Q351-K355 PolarHBondContact O-N 2.93Å; L352-K355 CarbonylContact O-C 3.45Å; L352-K355 WeakPolarHBondContact O-CB 3.24Å; L352-K355 PolarHBondContact O-N 2.82Å; L352-K355 VanDerWaalsContact O-N 3.16Å; I353-K355 VanDerWaalsContact C-N 3.32Å; I353-K355 PolarHBondContact O-N 2.96Å; K355-R359 WeakPolarHBondContact O-CD 3.36Å; K355-R359 WeakPolarHBondContact O-CG 3.27Å |
| 356 | K | 86.8 | Confident | 83.2 | Confident | 124 Ų | 124 | 93.1 Ų | 93.1 | 54% | 0.539 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.4 | -51.5 | 174.6 | -173.9 | -172.7 | 177.6 | -168.9 | 0 | 110.9 | L352 I353 R358 R359 K360 | L352-K356 PolarHBondContact O-N 2.81Å; I353-K356 CarbonylContact O-C 3.53Å; I353-K356 WeakPolarHBondContact O-CA 3.1Å; I353-K356 WeakPolarHBondContact O-CB 3.43Å; I353-K356 PolarHBondContact O-N 3.03Å; K356-R358 PolarHBondContact O-N 3.27Å; K356-R359 PolarHBondContact O-N 3.36Å; K356-K360 PolarHBondContact O-N 2.89Å |
| 357 | L | 87.5 | Confident | 83.1 | Confident | 3 Ų | 3 | 90.5 Ų | 90.5 | 2% | 0.016 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 178.9 | -70.2 | 172.7 | 0 | 0 | 0 | 112.5 | Q318 F319 I353 R359 G361 I362 L367 M369 | Q318-L357 HydrophobicContact CB-CD1 4.04Å; Q318-L357 HydrophobicContact CB-CD2 4.05Å; Q318-L357 HydrophobicContact CG-CD2 3.82Å; F319-L357 HydrophobicContact CE1-CD1 4.31Å; F319-L357 HydrophobicContact CE2-CD1 4.04Å; F319-L357 HydrophobicContact CZ-CD1 3.63Å; I353-L357 HydrophobicContact CG2-CD1 3.86Å; I353-L357 HydrophobicContact CG2-CG 4.3Å; I353-L357 WeakPolarHBondContact O-CG 3.38Å; I353-L357 PolarHBondContact O-N 3.33Å; L357-R359 PolarHBondContact O-N 3.27Å; L357-R359 VanDerWaalsContact O-N 3.14Å; L357-G361 WeakPolarHBondContact O-CA 3.49Å; L357-G361 PolarHBondContact O-N 2.93Å; L357-I362 HydrophobicContact CD2-CD1 4.12Å; L357-I362 HydrophobicContact CD2-CG1 3.8Å; L357-L367 HydrophobicContact CB-CD1 4.36Å; L357-L367 HydrophobicContact CD2-CD1 4.47Å; L357-M369 HydrophobicContact CB-CE 4.13Å; L357-M369 HydrophobicContact CB-SD 3.7Å; L357-M369 HydrophobicContact CD1-CE 4.34Å |
| 358 | R | 85.2 | Confident | 83.1 | Confident | 169 Ų | 169 | 92.1 Ų | 92.1 | 64% | 0.638 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.7 | -16 | 175.9 | -169.4 | 173 | 177.7 | -163.3 | -1.5 | 113.7 | V354 K356 M369 | V354-R358 VanDerWaalsContact O-CB 3.3Å; V354-R358 WeakPolarHBondContact O-CB 3.26Å; V354-R358 PolarHBondContact O-N 3.43Å; K356-R358 PolarHBondContact O-N 3.27Å; R358-M369 HydrophobicContact CB-SD 3.87Å; R358-M369 PolarHBondContact N-SD 3.36Å |
| 359 | R | 83.8 | Confident | 83.3 | Confident | 213 Ų | 213 | 86.8 Ų | 86.8 | 80% | 0.804 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -100.3 | -51.6 | 177.3 | -73.9 | 175.1 | 172.3 | -179 | -4.3 | 112.9 | K355 K356 L357 | K355-R359 WeakPolarHBondContact O-CD 3.36Å; K355-R359 WeakPolarHBondContact O-CG 3.27Å; K356-R359 PolarHBondContact O-N 3.36Å; L357-R359 PolarHBondContact O-N 3.27Å; L357-R359 VanDerWaalsContact O-N 3.14Å |
| 360 | K | 79.8 | Confident | 83.1 | Confident | 169 Ų | 169 | 88.3 Ų | 88.3 | 74% | 0.735 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -86.9 | -20 | -175.3 | -67.8 | -153.6 | 174.2 | -158.2 | 0 | 114.2 | K356 | K356-K360 PolarHBondContact O-N 2.89Å |
| 361 | G | 80.8 | Confident | 82.9 | Confident | 8 Ų | 8 | 93.3 Ų | 93.3 | 8% | 0.082 | 43% | 0.426 | C | S | . | . | trans | 71 | -160.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L357 H365 | L357-G361 WeakPolarHBondContact O-CA 3.49Å; L357-G361 PolarHBondContact O-N 2.93Å; G361-H365 WeakPolarHBondContact CA-O 3.42Å | ||
| 362 | I | 79.6 | Confident | 82.6 | Confident | 6 Ų | 6 | 94.8 Ų | 94.8 | 3% | 0.031 | 43% | 0.429 | C | S | . | . | B | Isolated β-bridge | trans | -126.7 | 132.6 | 161.5 | -69.5 | 171.1 | 0 | 0 | 0 | 105.5 | I310 L315 Q318 L357 Q364 H365 L367 | I310-I362 HydrophobicContact CD1-CB 4.05Å; I310-I362 HydrophobicContact CD1-CG2 4.17Å; I310-I362 HydrophobicContact CG1-CG2 4.26Å; I310-I362 HydrophobicContact CG2-CD1 4.35Å; I310-I362 HydrophobicContact CG2-CG2 4.15Å; L315-I362 HydrophobicContact CB-CD1 4.17Å; L315-I362 HydrophobicContact CD1-CD1 3.64Å; L315-I362 HydrophobicContact CG-CD1 4.49Å; Q318-I362 HydrophobicContact CG-CD1 3.88Å; Q318-I362 HydrophobicContact CG-CG1 4.32Å; L357-I362 HydrophobicContact CD2-CD1 4.12Å; L357-I362 HydrophobicContact CD2-CG1 3.8Å; I362-Q364 PolarHBondContact O-N 3.17Å; I362-H365 PolarHBondContact N-O 3.21Å; I362-H365 WeakPolarHBondContact O-CB 3.39Å; I362-H365 PolarHBondContact O-N 3.32Å; I362-L367 HydrophobicContact CD1-CD1 3.95Å; I362-L367 HydrophobicContact CG1-CD1 3.98Å |
| 363 | D | 70.3 | Confident | 81.9 | Confident | 93 Ų | 93 | 97.8 Ų | 97.8 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45 | 56.4 | 176.1 | -48.6 | -19.2 | 0 | 0 | 0 | 113 | R314 H365 | R314-D363 IonicContact CZ-OD2 2.68Å; R314-D363 IonicContact NE-OD2 2.65Å; R314-D363 PolarHBondContact NE-OD2 3.06Å; R314-D363 IonicContact NH2-OD2 3.02Å; R314-D363 PolarHBondContact NH2-OD2 3.06Å; D363-H365 PolarHBondContact O-CD2 2.92Å; D363-H365 PolarHBondContact O-N 3.34Å |
| 364 | Q | 72.4 | Confident | 80.6 | Confident | 196 Ų | 196 | 102 Ų | 102 | 92% | 0.916 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | -16.3 | -176.2 | -50.7 | -175.9 | 3.7 | 0 | 0 | 116.1 | I362 R366 | I362-Q364 PolarHBondContact O-N 3.17Å; Q364-R366 PolarHBondContact O-N 3.01Å |
| 365 | H | 73.6 | Confident | 78.9 | Confident | 85 Ų | 85 | 108 Ų | 108 | 39% | 0.394 | 48% | 0.475 | S | S | . | . | B | Isolated β-bridge | trans | -74.4 | 115.4 | 175.6 | -58.4 | -67.7 | 0 | 0 | 0 | 112.1 | I310 G361 I362 D363 L367 | I310-H365 HydrophobicContact CD1-CB 3.87Å; G361-H365 WeakPolarHBondContact CA-O 3.42Å; I362-H365 PolarHBondContact N-O 3.21Å; I362-H365 WeakPolarHBondContact O-CB 3.39Å; I362-H365 PolarHBondContact O-N 3.32Å; D363-H365 PolarHBondContact O-CD2 2.92Å; D363-H365 PolarHBondContact O-N 3.34Å; H365-L367 PolarHBondContact O-N 3.19Å |
| 366 | R | 80.9 | Confident | 76.4 | Confident | 218 Ų | 218 | 109.3 Ų | 109.3 | 82% | 0.823 | 49% | 0.488 | S | S | * | . | trans | -76.7 | 106.4 | -177.4 | -161.1 | 178.5 | 79.3 | 176.4 | 3.4 | 112.4 | Q364 H368 | Q364-R366 PolarHBondContact O-N 3.01Å; R366-H368 PolarHBondContact O-N 3.01Å | ||
| 367 | L | 84.6 | Confident | 73.7 | Confident | 13 Ų | 13 | 111.9 Ų | 111.9 | 7% | 0.068 | 50% | 0.499 | C | S | . | . | trans | -67.8 | 123.3 | -175.1 | -58.6 | -176.8 | 0 | 0 | 0 | 113.7 | I303 L306 I310 L357 I362 H365 M369 | I303-L367 HydrophobicContact CD1-CD1 4.38Å; I303-L367 HydrophobicContact CG2-CB 4.19Å; I303-L367 HydrophobicContact CG2-CD2 4.23Å; L306-L367 HydrophobicContact CD1-CD2 3.41Å; L306-L367 VanDerWaalsContact CD1-CD2 3.41Å; I310-L367 HydrophobicContact CD1-CD2 4.2Å; L357-L367 HydrophobicContact CB-CD1 4.36Å; L357-L367 HydrophobicContact CD2-CD1 4.47Å; I362-L367 HydrophobicContact CD1-CD1 3.95Å; I362-L367 HydrophobicContact CG1-CD1 3.98Å; H365-L367 PolarHBondContact O-N 3.19Å; L367-M369 HydrophobicContact CB-CG 3.87Å; L367-M369 HydrophobicContact CB-SD 4.31Å; L367-M369 PolarHBondContact O-N 3.05Å | ||
| 368 | H | 83.9 | Confident | 70.9 | Confident | 110 Ų | 110 | 121 Ų | 121 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 80.9 | 174.1 | -174.6 | -78.9 | 0 | 0 | 0 | 111.5 | C304 R366 | C304-H368 HydrophobicContact CB-CB 4.43Å; C304-H368 PolarHBondContact N-O 3.17Å; R366-H368 PolarHBondContact O-N 3.01Å |
| 369 | M | 89.4 | Confident | 68.4 | Low | 12 Ų | 12 | 118.4 Ų | 118.4 | 6% | 0.059 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 122.6 | -177.1 | -52.5 | 179.1 | 80.3 | 0 | 0 | 112.2 | I301 I303 V354 L357 R358 L367 | I301-M369 HydrophobicContact CD1-CE 4.42Å; I301-M369 HydrophobicContact CG2-CB 4.35Å; I301-M369 HydrophobicContact CG2-CE 3.9Å; I303-M369 HydrophobicContact CD1-CE 4.1Å; I303-M369 HydrophobicContact CG1-CE 4.33Å; I303-M369 HydrophobicContact CG1-CG 4.23Å; V354-M369 HydrophobicContact CG1-CE 4.02Å; L357-M369 HydrophobicContact CB-CE 4.13Å; L357-M369 HydrophobicContact CB-SD 3.7Å; L357-M369 HydrophobicContact CD1-CE 4.34Å; R358-M369 HydrophobicContact CB-SD 3.87Å; R358-M369 PolarHBondContact N-SD 3.36Å; L367-M369 HydrophobicContact CB-CG 3.87Å; L367-M369 HydrophobicContact CB-SD 4.31Å; L367-M369 PolarHBondContact O-N 3.05Å |
| 370 | Q | 83.9 | Confident | 65.9 | Low | 95 Ų | 95 | 115.6 Ų | 115.6 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 149.6 | 170.1 | -67.3 | -177.1 | -36.9 | 0 | 0 | 110.6 | I301 K302 C304 W372 | I301-Q370 WeakPolarHBondContact CA-O 3.48Å; K302-Q370 PolarHBondContact N-O 3.17Å; K302-Q370 PolarHBondContact O-N 3.21Å; C304-Q370 PolarHBondContact SG-OE1 2.83Å; Q370-W372 PolarHBondContact O-N 3.14Å |
| 371 | S | 83.3 | Confident | 63.7 | Low | 105 Ų | 105 | 114.7 Ų | 114.7 | 73% | 0.734 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 129.3 | 165.7 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | ||
| 372 | W | 79.8 | Confident | 61.4 | Low | 101 Ų | 101 | 120.2 Ų | 120.2 | 38% | 0.383 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.4 | 140.8 | 175.7 | -179.9 | -108.6 | 0 | 0 | 0 | 109.1 | G300 K302 F341 Q370 | G300-W372 CarbonylContact C-O 3.55Å; G300-W372 WeakPolarHBondContact CA-O 3.29Å; G300-W372 PolarHBondContact N-O 3.01Å; G300-W372 VanDerWaalsContact N-O 3.15Å; G300-W372 PolarHBondContact O-N 3.26Å; K302-W372 HydrophobicContact CB-CB 4.07Å; K302-W372 HydrophobicContact CB-CE3 4.41Å; K302-W372 HydrophobicContact CB-CG 4.48Å; K302-W372 HydrophobicContact CD-CE3 4.43Å; F341-W372 AromaticContact CD1-CD2 3.86Å; F341-W372 HydrophobicContact CD1-CD2 3.86Å; F341-W372 AromaticContact CD1-CE2 3.64Å; F341-W372 HydrophobicContact CD1-CE3 4.41Å; F341-W372 HydrophobicContact CD1-CG 4.11Å; F341-W372 HydrophobicContact CD1-CZ2 4.04Å; F341-W372 AromaticContact CD1-NE1 3.75Å; F341-W372 AromaticContact CE1-CD2 3.93Å; F341-W372 HydrophobicContact CE1-CD2 3.93Å; F341-W372 AromaticContact CE1-CE2 3.75Å; F341-W372 HydrophobicContact CE1-CE3 4.05Å; F341-W372 AromaticContact CE1-CH2 3.87Å; F341-W372 HydrophobicContact CE1-CH2 3.87Å; F341-W372 AromaticContact CE1-CZ2 3.72Å; F341-W372 HydrophobicContact CE1-CZ2 3.72Å; F341-W372 HydrophobicContact CE1-CZ3 4.03Å; Q370-W372 PolarHBondContact O-N 3.14Å |
| 373 | Y | 71.4 | Confident | 59.2 | Low | 167 Ų | 167 | 126 Ų | 126 | 66% | 0.655 | 59% | 0.593 | S | S | * | * | trans | -120.8 | 121 | 164.8 | 39.2 | -86.5 | 0 | 0 | 0 | 105.2 | K375 | Y373-K375 VanDerWaalsContact C-N 3.34Å; Y373-K375 HydrophobicContact CD2-CG 4.11Å; Y373-K375 HydrophobicContact CE2-CG 4.2Å; Y373-K375 PolarHBondContact O-N 3.28Å | ||
| 374 | K | 61.6 | Low | 57.3 | Low | 120 Ų | 120 | 130 Ų | 130 | 52% | 0.522 | 61% | 0.613 | S | S | . | * | trans | -59.1 | 107.1 | 161.9 | -168.7 | 165.1 | -179.2 | 171.3 | 0 | 104.7 | E326 N376 | E326-K374 IonicContact OE1-NZ 2.65Å; E326-K374 PolarHBondContact OE1-NZ 3.01Å; E326-K374 WeakPolarHBondContact OE2-CD 3.3Å; E326-K374 IonicContact OE2-NZ 2.89Å; E326-K374 PolarHBondContact OE2-NZ 3.13Å; K374-N376 PolarHBondContact O-N 2.81Å; K374-N376 PolarHBondContact O-OD1 2.78Å | ||
| 375 | K | 50.2 | Low | 55.8 | Low | 149 Ų | 149 | 128.7 Ų | 128.7 | 65% | 0.648 | 60% | 0.604 | S | S | * | * | trans | -57.9 | 125.9 | 171.8 | -77.4 | -176.5 | 178.1 | 178.3 | 0 | 105.5 | Y373 F377 | Y373-K375 VanDerWaalsContact C-N 3.34Å; Y373-K375 HydrophobicContact CD2-CG 4.11Å; Y373-K375 HydrophobicContact CE2-CG 4.2Å; Y373-K375 PolarHBondContact O-N 3.28Å; K375-F377 PolarHBondContact O-N 3.26Å | ||
| 376 | N | 34.8 | Very low | 54 | Low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 62% | 0.621 | S | S | * | * | trans | -69.3 | 77.4 | 170.8 | -70.8 | 12.9 | 0 | 0 | 0 | 108.4 | K374 K378 | K374-N376 PolarHBondContact O-N 2.81Å; K374-N376 PolarHBondContact O-OD1 2.78Å; N376-K378 PolarHBondContact O-N 2.86Å; N376-K378 VanDerWaalsContact O-N 3.1Å | ||
| 377 | F | 31 | Very low | 52 | Low | 177 Ų | 177 | 125.2 Ų | 125.2 | 78% | 0.776 | 62% | 0.618 | S | S | * | * | trans | -48.8 | 114.6 | 143.8 | -85.5 | -89.5 | 0 | 0 | 0 | 105.3 | K375 S379 | K375-F377 PolarHBondContact O-N 3.26Å; F377-S379 PolarHBondContact O-N 3.25Å; F377-S379 VanDerWaalsContact O-N 3.07Å | ||
| 378 | K | 29 | Very low | 50.1 | Low | 195 Ų | 195 | 134.2 Ų | 134.2 | 85% | 0.848 | 66% | 0.656 | S | S | * | * | trans | -51.5 | 121 | 169.1 | -71.6 | 178.5 | 175 | 179.6 | 0 | 105.9 | N376 Q380 | N376-K378 PolarHBondContact O-N 2.86Å; N376-K378 VanDerWaalsContact O-N 3.1Å; K378-Q380 PolarHBondContact O-N 3.45Å | ||
| 379 | S | 31.9 | Very low | 47.9 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | trans | -53.5 | 101.9 | -171.6 | -49.7 | 0 | 0 | 0 | 0 | 110.1 | F377 K381 | F377-S379 PolarHBondContact O-N 3.25Å; F377-S379 VanDerWaalsContact O-N 3.07Å; S379-K381 PolarHBondContact O-N 3.45Å | ||
| 380 | Q | 32.5 | Very low | 45.9 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | trans | -69.5 | 94.3 | 166 | -83.9 | -176.7 | -31.9 | 0 | 0 | 105.3 | K378 L382 | K378-Q380 PolarHBondContact O-N 3.45Å; Q380-L382 PolarHBondContact O-N 3.13Å | ||
| 381 | K | 32 | Very low | 44 | Very low | 150 Ų | 150 | 146.8 Ų | 146.8 | 65% | 0.652 | 73% | 0.725 | S | S | * | * | trans | -73.1 | 78.2 | -177.9 | -164.9 | -160.6 | -177.8 | -157 | 0 | 107.8 | S379 E383 | S379-K381 PolarHBondContact O-N 3.45Å; K381-E383 HydrophobicContact CD-CG 4.14Å; K381-E383 VanDerWaalsContact CE-OE1 3.25Å; K381-E383 WeakPolarHBondContact CE-OE1 3.39Å; K381-E383 VanDerWaalsContact CE-OE2 3.32Å; K381-E383 WeakPolarHBondContact CE-OE2 3.43Å; K381-E383 HydrophobicContact CG-CG 4.19Å; K381-E383 IonicContact NZ-OE1 3.06Å; K381-E383 PolarHBondContact NZ-OE1 2.95Å; K381-E383 IonicContact NZ-OE2 2.65Å; K381-E383 PolarHBondContact NZ-OE2 3.33Å; K381-E383 PolarHBondContact O-N 3.28Å | ||
| 382 | L | 34.1 | Very low | 42.1 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | trans | -66.6 | 73.9 | 170.3 | -85.3 | 156.7 | 0 | 0 | 0 | 108.9 | Q380 L384 C430 | Q380-L382 PolarHBondContact O-N 3.13Å; L382-L384 PolarHBondContact O-N 2.95Å; L382-C430 HydrophobicContact CD2-CB 4.09Å | ||
| 383 | E | 32.5 | Very low | 40.2 | Very low | 128 Ų | 128 | 151.8 Ų | 151.8 | 60% | 0.598 | 74% | 0.743 | S | S | * | * | trans | -73.3 | 112.2 | 162.2 | -82.6 | 179.2 | 139.4 | 0 | 0 | 108.3 | K381 K385 | K381-E383 HydrophobicContact CD-CG 4.14Å; K381-E383 VanDerWaalsContact CE-OE1 3.25Å; K381-E383 WeakPolarHBondContact CE-OE1 3.39Å; K381-E383 VanDerWaalsContact CE-OE2 3.32Å; K381-E383 WeakPolarHBondContact CE-OE2 3.43Å; K381-E383 HydrophobicContact CG-CG 4.19Å; K381-E383 IonicContact NZ-OE1 3.06Å; K381-E383 PolarHBondContact NZ-OE1 2.95Å; K381-E383 IonicContact NZ-OE2 2.65Å; K381-E383 PolarHBondContact NZ-OE2 3.33Å; K381-E383 PolarHBondContact O-N 3.28Å; E383-K385 PolarHBondContact O-N 3.38Å | ||
| 384 | L | 31.1 | Very low | 38.8 | Very low | 177 Ų | 177 | 152.6 Ų | 152.6 | 93% | 0.927 | 75% | 0.75 | S | S | * | * | trans | -44.8 | 129.2 | 165.7 | -66.7 | 163.6 | 0 | 0 | 0 | 109.5 | L382 | L382-L384 PolarHBondContact O-N 2.95Š| ||
| 385 | K | 39.6 | Very low | 37.8 | Very low | 169 Ų | 169 | 153.4 Ų | 153.4 | 74% | 0.735 | 76% | 0.759 | S | S | * | * | trans | -116.8 | 137.9 | 164.4 | -76.8 | -175.1 | 169.9 | -75.8 | 0 | 108.1 | E383 | E383-K385 PolarHBondContact O-N 3.38Š| ||
| 386 | P | 36.6 | Very low | 37.4 | Very low | 113 Ų | 113 | 153.6 Ų | 153.6 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -63.7 | 153.3 | 177.9 | 28.9 | -35.3 | 0 | 0 | 0 | 110 | ||||
| 387 | P | 38.6 | Very low | 37.6 | Very low | 117 Ų | 117 | 154.6 Ų | 154.6 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -61 | 160.8 | 171.3 | 29.2 | -35.3 | 0 | 0 | 0 | 110.7 | ||||
| 388 | K | 44.7 | Very low | 38.2 | Very low | 202 Ų | 202 | 150.9 Ų | 150.9 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | trans | -126.9 | 134.8 | 159.2 | -80.9 | -161.9 | 163 | -144.7 | 0 | 107.9 | ||||
| 389 | D | 38.1 | Very low | 38.9 | Very low | 150 Ų | 150 | 150.2 Ų | 150.2 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | -73 | 147.5 | 180 | -41.1 | -90.2 | 0 | 0 | 0 | 110.6 | ||||
| 390 | D | 46.9 | Very low | 39.3 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 91% | 0.914 | 76% | 0.761 | S | S | * | * | trans | -151.1 | 146.7 | 151.6 | -94.8 | -44.7 | 0 | 0 | 0 | 108.1 | ||||
| 391 | E | 43.5 | Very low | 39.7 | Very low | 160 Ų | 160 | 153.8 Ų | 153.8 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -63.2 | 143.6 | -156.3 | -45.6 | 170.4 | 128.9 | 0 | 0 | 117 | ||||
| 392 | K | 44.4 | Very low | 40.1 | Very low | 167 Ų | 167 | 152.2 Ų | 152.2 | 73% | 0.726 | 77% | 0.768 | S | S | * | * | -179.9 | 128.1 | 102.3 | -97.7 | 149.7 | -170.4 | 160.6 | 0 | 116.6 | |||||
| 393 | N | 40.5 | Very low | 40.3 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | 46.2 | 103.3 | 138.8 | -53.2 | -8.4 | 0 | 0 | 0 | 117.6 | ||||
| 394 | K | 41 | Very low | 40.7 | Very low | 184 Ų | 184 | 149.4 Ų | 149.4 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | -172.6 | 148.6 | 66.3 | -88.3 | 180 | 171.4 | -177.8 | 0 | 111.9 | |||||
| 395 | I | 41.9 | Very low | 41.1 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | trans | 45.1 | 115.9 | 135.7 | -51.5 | 167 | 0 | 0 | 0 | 115.7 | ||||
| 396 | D | 40.7 | Very low | 41.2 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | -152.2 | 174.5 | 56.2 | -135.4 | -35.1 | 0 | 0 | 0 | 115.1 | |||||
| 397 | E | 39 | Very low | 41.5 | Very low | 161 Ų | 161 | 145 Ų | 145 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -87.6 | 145.1 | -173.2 | -61.1 | -167.2 | 100.8 | 0 | 0 | 116 | ||||
| 398 | S | 44.1 | Very low | 41.7 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | 159.9 | 122.8 | 99.2 | 55.2 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 399 | K | 42.3 | Very low | 41.7 | Very low | 182 Ų | 182 | 142 Ų | 142 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | 69.7 | 134.5 | 133.9 | -61.5 | 168.3 | -174.1 | 166.5 | 0 | 123.8 | ||||
| 400 | L | 41.4 | Very low | 41.7 | Very low | 158 Ų | 158 | 144 Ų | 144 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | 102.3 | 124 | 161.1 | -56.2 | 171.8 | 0 | 0 | 0 | 116.1 | ||||
| 401 | K | 41.5 | Very low | 41.5 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | cis | 98.9 | 143.2 | 35.3 | -83.2 | -161.6 | 174.1 | -173.8 | 0 | 113.1 | ||||
| 402 | T | 40.1 | Very low | 41.2 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | cis | -178.2 | 161.9 | -12.5 | 22.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 403 | S | 38.3 | Very low | 41 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | cis | 176.8 | 131.6 | -29.7 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 404 | G | 40.8 | Very low | 41 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | 172.8 | 146.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 405 | S | 39.2 | Very low | 41 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | cis | 84.9 | 138.9 | 34.5 | -142.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 406 | A | 41.9 | Very low | 41 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | cis | -152.1 | 146.4 | 9.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 407 | E | 41.8 | Very low | 41 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | 101.1 | 159.3 | 88.8 | -82.5 | -179.2 | 162.6 | 0 | 0 | 117.2 | |||||
| 408 | N | 44 | Very low | 41.1 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | 72.4 | 155.4 | 168.5 | -50.7 | -50.6 | 0 | 0 | 0 | 118.2 | ||||
| 409 | S | 43.8 | Very low | 41 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | cis | 176.5 | 157.4 | -19.8 | 53.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 410 | E | 37.6 | Very low | 40.7 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | cis | -169.3 | -156.8 | -23.2 | -172.2 | 133 | -111.7 | 0 | 0 | 108.1 | ||||
| 411 | A | 43.2 | Very low | 40.6 | Very low | 80 Ų | 80 | 138.6 Ų | 138.6 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | 68.4 | 107.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 412 | T | 37.6 | Very low | 40.4 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | 64 | 140.9 | 86 | 62.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 413 | F | 39.3 | Very low | 40.4 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | cis | -161.7 | 157.9 | 18.3 | -156.3 | -112.4 | 0 | 0 | 0 | 111.9 | ||||
| 414 | S | 42 | Very low | 40.3 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | 54.2 | 160.8 | 159 | 58 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 415 | E | 40.5 | Very low | 40.1 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | cis | -170.7 | 138.8 | -29.7 | 172.5 | 173.7 | -175 | 0 | 0 | 108.6 | ||||
| 416 | S | 41.9 | Very low | 39.9 | Very low | 120 Ų | 120 | 156.7 Ų | 156.7 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | 160.2 | 148.4 | 142.4 | -79.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 417 | A | 40.4 | Very low | 39.6 | Very low | 84 Ų | 84 | 161.1 Ų | 161.1 | 69% | 0.694 | 81% | 0.809 | S | S | * | * | trans | -84.1 | 155.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 418 | N | 41.2 | Very low | 39.1 | Very low | 137 Ų | 137 | 162.5 Ų | 162.5 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | -168.8 | 149.2 | 107.9 | -108.4 | -77.9 | 0 | 0 | 0 | 117 | |||||
| 419 | K | 41.3 | Very low | 38.6 | Very low | 192 Ų | 192 | 163.6 Ų | 163.6 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 33.6 | 108.9 | 155.6 | -70.9 | 166.8 | -173 | 176.8 | 0 | 120.5 | ||||
| 420 | K | 37.5 | Very low | 38.2 | Very low | 207 Ų | 207 | 161.3 Ų | 161.3 | 90% | 0.9 | 79% | 0.792 | S | S | * | * | trans | -68.2 | 138.1 | 165.7 | -61.2 | 167.2 | -178.7 | 169.7 | 0 | 111.5 | ||||
| 421 | H | 39.5 | Very low | 38.1 | Very low | 194 Ų | 194 | 159.9 Ų | 159.9 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -125.9 | 140.6 | 158.1 | -128.6 | -98 | 0 | 0 | 0 | 111.3 | ||||
| 422 | K | 37.3 | Very low | 37.6 | Very low | 203 Ų | 203 | 162.6 Ų | 162.6 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -110.5 | 95.5 | -156.2 | -165.5 | 175.7 | -173.5 | 176.1 | 0 | 111.8 | ||||
| 423 | L | 39.4 | Very low | 37.7 | Very low | 167 Ų | 167 | 162.9 Ų | 162.9 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -109 | 118.2 | 177.9 | -95.1 | 160.8 | 0 | 0 | 0 | 112.1 | ||||
| 424 | K | 37.1 | Very low | 37.6 | Very low | 206 Ų | 206 | 161.4 Ų | 161.4 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | trans | -72.5 | 124.6 | 179.7 | -68.9 | 178.1 | 176.9 | 177 | 0 | 110.8 | ||||
| 425 | K | 36.2 | Very low | 37.2 | Very low | 209 Ų | 209 | 165.8 Ų | 165.8 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -84.2 | 139 | 163.4 | -68.1 | 178.8 | 178.6 | 175.9 | 0 | 109.7 | ||||
| 426 | R | 35.4 | Very low | 37 | Very low | 215 Ų | 215 | 163.3 Ų | 163.3 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -127.3 | 134.5 | 160.4 | -101.3 | -173.2 | 164.7 | -177 | -5.9 | 108.5 | ||||
| 427 | K | 34.3 | Very low | 36.7 | Very low | 167 Ų | 167 | 165 Ų | 165 | 73% | 0.726 | 80% | 0.803 | S | S | * | * | trans | -73.5 | 153.7 | 168.8 | -72.2 | 179.5 | 170.2 | -172.7 | 0 | 109.8 | ||||
| 428 | Y | 31.5 | Very low | 36.7 | Very low | 196 Ų | 196 | 166.4 Ų | 166.4 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -144.2 | 150.6 | 144.5 | -77.7 | -73.7 | 0 | 0 | 0 | 108.3 | ||||
| 429 | E | 34.3 | Very low | 36.6 | Very low | 171 Ų | 171 | 168 Ų | 168 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -90.4 | 169.6 | -176.2 | -77.3 | 138 | 142.9 | 0 | 0 | 113.3 | ||||
| 430 | C | 34.2 | Very low | 36.4 | Very low | 60 Ų | 60 | 165.9 Ų | 165.9 | 41% | 0.405 | 81% | 0.808 | S | S | . | * | trans | -108.8 | 154.5 | 173.9 | -66.4 | 0 | 0 | 0 | 0 | 110 | L382 | L382-C430 HydrophobicContact CD2-CB 4.09Š| ||
| 431 | I | 35.8 | Very low | 36.3 | Very low | 162 Ų | 162 | 160.6 Ų | 160.6 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -123.3 | 123.9 | 172.5 | -63 | 173.1 | 0 | 0 | 0 | 106.7 | ||||
| 432 | D | 33.6 | Very low | 36.1 | Very low | 138 Ų | 138 | 158.6 Ų | 158.6 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -80.9 | 145.1 | 174 | -69.3 | -58.7 | 0 | 0 | 0 | 111.3 | ||||
| 433 | V | 39.1 | Very low | 36 | Very low | 137 Ų | 137 | 155.1 Ų | 155.1 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | -135.6 | 114.1 | 164.3 | -174.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 434 | N | 36.6 | Very low | 36 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -70 | 156.6 | -178.1 | -80.2 | -45.4 | 0 | 0 | 0 | 112.6 | ||||
| 435 | M | 33.2 | Very low | 36 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 94% | 0.941 | 77% | 0.774 | S | S | * | * | trans | -111.9 | 112.9 | 178 | -174.9 | 170.2 | 177.1 | 0 | 0 | 109.1 | ||||
| 436 | T | 37.7 | Very low | 36.3 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -123.6 | 123.3 | 179.9 | 51.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 437 | D | 34.2 | Very low | 36.6 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | -65.5 | 148.9 | 164.6 | -86.1 | -59.3 | 0 | 0 | 0 | 110.8 | ||||
| 438 | S | 40.7 | Very low | 37.2 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -144.4 | 145.2 | 163.9 | 61 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 439 | H | 39.8 | Very low | 37.6 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | trans | -97.1 | 150.4 | -158.8 | -73.7 | -116 | 0 | 0 | 0 | 114.6 | ||||
| 440 | L | 36.3 | Very low | 38.2 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | 21.6 | 141.3 | 142.7 | -70.9 | 159.5 | 0 | 0 | 0 | 122.1 | ||||
| 441 | S | 35.6 | Very low | 38.6 | Very low | 96 Ų | 96 | 152.6 Ų | 152.6 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | 71.3 | 124.4 | 148.8 | 70.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 442 | N | 36.2 | Very low | 39 | Very low | 152 Ų | 152 | 155.2 Ų | 155.2 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | -158 | 168 | 50.6 | -86.8 | -60.7 | 0 | 0 | 0 | 114.9 | |||||
| 443 | T | 34.7 | Very low | 39.6 | Very low | 130 Ų | 130 | 158 Ų | 158 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | -87.2 | 173.7 | 171.8 | 37 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 444 | P | 38.8 | Very low | 39.6 | Very low | 108 Ų | 108 | 155.9 Ų | 155.9 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | -148.3 | -171.7 | 28 | 46 | -24.7 | 0 | 0 | 0 | 119.4 | ||||
| 445 | E | 38.5 | Very low | 40.3 | Very low | 161 Ų | 161 | 158.7 Ų | 158.7 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | 58.4 | 117.8 | 154.1 | -77.3 | -175.6 | 168.1 | 0 | 0 | 123.2 | ||||
| 446 | S | 40.8 | Very low | 40.7 | Very low | 124 Ų | 124 | 156.2 Ų | 156.2 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | -158 | 150.4 | 116 | 52 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 447 | H | 43.2 | Very low | 41.2 | Very low | 143 Ų | 143 | 162.3 Ų | 162.3 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | trans | -94.6 | 151.4 | -172.4 | -55.5 | -65.5 | 0 | 0 | 0 | 114.4 | ||||
| 448 | K | 45.7 | Very low | 41.5 | Very low | 217 Ų | 217 | 159.7 Ų | 159.7 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | trans | -153.6 | 136.9 | 134.4 | -108.7 | 147 | -170.8 | 171.9 | 0 | 111.9 | ||||
| 449 | K | 41.3 | Very low | 41.8 | Very low | 184 Ų | 184 | 162 Ų | 162 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | -98.4 | 147.7 | -169.4 | -64.4 | 167.5 | 179.1 | 167.2 | 0 | 111.5 | ||||
| 450 | K | 45.1 | Very low | 42 | Very low | 218 Ų | 218 | 161.8 Ų | 161.8 | 95% | 0.948 | 80% | 0.804 | S | S | * | * | trans | -142.4 | 135.7 | 146.2 | -120.5 | 173.7 | -176.9 | 176.8 | 0 | 109.8 | ||||
| 451 | K | 43 | Very low | 42.3 | Very low | 182 Ų | 182 | 157.4 Ų | 157.4 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -95 | 153.4 | -171.6 | -63.4 | 178.5 | 177.6 | 179.4 | 0 | 111.3 | ||||
| 452 | F | 44.9 | Very low | 42.9 | Very low | 218 Ų | 218 | 160.1 Ų | 160.1 | 96% | 0.956 | 80% | 0.802 | S | S | * | * | trans | -121.2 | 151.7 | 142.7 | -109.4 | -95.4 | 0 | 0 | 0 | 108.7 | ||||
| 453 | K | 47 | Very low | 43.3 | Very low | 196 Ų | 196 | 159.4 Ų | 159.4 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | trans | -96.7 | 148 | -177.3 | -88.4 | -172.9 | 171.6 | -176 | 0 | 111.5 | ||||
| 454 | S | 38.1 | Very low | 43.9 | Very low | 92 Ų | 92 | 158.6 Ų | 158.6 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | trans | -76.3 | 169 | 164.8 | 55.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 455 | K | 50.9 | Low | 44.6 | Very low | 210 Ų | 210 | 163 Ų | 163 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | trans | -151.2 | 121 | 148.5 | -130.9 | -179.1 | -177.1 | -174.9 | 0 | 109.6 | ||||
| 456 | D | 42.8 | Very low | 45.3 | Very low | 139 Ų | 139 | 163.5 Ų | 163.5 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -89.5 | 161.3 | -170.4 | -50.9 | -91.5 | 0 | 0 | 0 | 112.7 | ||||
| 457 | R | 46.6 | Very low | 45.6 | Very low | 251 Ų | 251 | 164.7 Ų | 164.7 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -152.5 | 125.8 | 147.1 | -117.7 | 176.6 | -176.2 | -175.4 | -1 | 111.4 | ||||
| 458 | S | 41.5 | Very low | 46.4 | Very low | 100 Ų | 100 | 163.2 Ų | 163.2 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -88.6 | -178.4 | 168.2 | 59 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 459 | H | 46.9 | Very low | 46.4 | Very low | 163 Ų | 163 | 162.5 Ų | 162.5 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | cis | -164.3 | 173.7 | 6.5 | -139.7 | 12.7 | 0 | 0 | 0 | 109.2 | ||||
| 460 | I | 43.5 | Very low | 47 | Very low | 165 Ų | 165 | 156.9 Ų | 156.9 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 68.1 | 139.4 | 163.4 | -56.5 | 149.4 | 0 | 0 | 0 | 115.2 | ||||
| 461 | G | 43.8 | Very low | 47.3 | Very low | 56 Ų | 56 | 154.8 Ų | 154.8 | 58% | 0.577 | 79% | 0.786 | S | S | * | * | cis | -178 | 165.6 | -6.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 462 | D | 47.3 | Very low | 47.6 | Very low | 154 Ų | 154 | 152.4 Ų | 152.4 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | 34 | 136 | 160.6 | -45.6 | -32.6 | 0 | 0 | 0 | 120.2 | ||||
| 463 | N | 44.3 | Very low | 47.5 | Very low | 137 Ų | 137 | 154.7 Ų | 154.7 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | cis | -170.9 | 141.6 | 48.8 | -147.8 | -50.5 | 0 | 0 | 0 | 110.8 | ||||
| 464 | P | 48.2 | Very low | 47.5 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -107 | 137 | 177.1 | 36.4 | -28.8 | 0 | 0 | 0 | 113.8 | ||||
| 465 | K | 53.6 | Low | 48 | Very low | 200 Ų | 200 | 155.8 Ų | 155.8 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -136.4 | 141.2 | 163.9 | -74.2 | -164.6 | 175.8 | -176.9 | 0 | 113.3 | ||||
| 466 | H | 51.8 | Low | 47.8 | Very low | 171 Ų | 171 | 152.8 Ų | 152.8 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -61.6 | 151.8 | -172.4 | -79.6 | -130.9 | 0 | 0 | 0 | 114.3 | V468 | H466-V468 HydrophobicContact CB-CG2 4.33Š| ||
| 467 | I | 48.1 | Very low | 48.1 | Very low | 149 Ų | 149 | 153.6 Ų | 153.6 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -114.3 | 120.2 | 143.7 | -63.6 | 173.9 | 0 | 0 | 0 | 106.6 | F469 | I467-F469 HydrophobicContact CG2-CD2 3.94Å; I467-F469 HydrophobicContact CG2-CE2 4.18Å | ||
| 468 | V | 59.8 | Low | 48.2 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -133.1 | 115.1 | 168.9 | 175.6 | 0 | 0 | 0 | 0 | 106.2 | H466 | H466-V468 HydrophobicContact CB-CG2 4.33Š| ||
| 469 | F | 46.9 | Very low | 48.6 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 89% | 0.886 | 80% | 0.798 | S | S | * | * | trans | -95.8 | 107.5 | 166.1 | -89.7 | -86.5 | 0 | 0 | 0 | 108 | I467 | I467-F469 HydrophobicContact CG2-CD2 3.94Å; I467-F469 HydrophobicContact CG2-CE2 4.18Å | ||
| 470 | G | 54 | Low | 48.8 | Very low | 66 Ų | 66 | 149.9 Ų | 149.9 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | trans | -91.2 | 171.9 | 167 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 471 | Q | 51 | Low | 49.2 | Very low | 173 Ų | 173 | 148.7 Ų | 148.7 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -97 | 156 | -168.5 | -83.9 | 176.7 | -107.6 | 0 | 0 | 114.6 | ||||
| 472 | D | 47.8 | Very low | 49.6 | Very low | 132 Ų | 132 | 156.4 Ų | 156.4 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | trans | 43.6 | 97.8 | 139.3 | -47.3 | -29.8 | 0 | 0 | 0 | 119.1 | ||||
| 473 | M | 42.9 | Very low | 49.8 | Very low | 267 Ų | 267 | 156.6 Ų | 156.6 | 100% | 1.315 | 82% | 0.816 | S | S | * | * | -175.1 | 0 | 124 | -95.1 | -68.9 | -177.3 | 0 | 0 | 110.4 |
Retrieved 473 of 473 residues in 201.8 ms
(Link to these results)