| 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 | 40.6 | Very low | 37 | Very low | 233 Ų | 233 | 154.5 Ų | 154.5 | 100% | 1.148 | 86% | 0.856 | S | S | * | * | 0 | 136.2 | 0 | -70.5 | 171.8 | 169.2 | 0 | 0 | 107.7 | |||||
| 2 | H | 37.6 | Very low | 37.6 | Very low | 188 Ų | 188 | 152.3 Ų | 152.3 | 87% | 0.87 | 85% | 0.854 | S | S | * | * | trans | 36.2 | 109.9 | 169.9 | -61.7 | 94.6 | 0 | 0 | 0 | 117.9 | ||||
| 3 | Q | 36.2 | Very low | 37.5 | Very low | 184 Ų | 184 | 154.7 Ų | 154.7 | 86% | 0.86 | 85% | 0.854 | S | S | * | * | cis | 76.3 | 92.1 | 33.3 | -148.2 | -171.9 | 100.1 | 0 | 0 | 116.3 | ||||
| 4 | A | 39.8 | Very low | 39.1 | Very low | 89 Ų | 89 | 152.1 Ų | 152.1 | 74% | 0.736 | 85% | 0.848 | S | S | * | * | trans | 50.4 | 132.2 | 135.7 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 5 | R | 34.9 | Very low | 38.6 | Very low | 231 Ų | 231 | 146.7 Ų | 146.7 | 87% | 0.872 | 84% | 0.84 | S | S | * | * | trans | 151.5 | 155.3 | 135.9 | -89.8 | 178.6 | 172.5 | -172.4 | -1.5 | 110.8 | ||||
| 6 | M | 37.1 | Very low | 38.5 | Very low | 149 Ų | 149 | 151.2 Ų | 151.2 | 73% | 0.734 | 84% | 0.839 | S | S | * | * | cis | -168.5 | 151.8 | -29.9 | -120.6 | -173.3 | 178.5 | 0 | 0 | 108.1 | ||||
| 7 | L | 38.8 | Very low | 38.2 | Very low | 166 Ų | 166 | 155.8 Ų | 155.8 | 87% | 0.869 | 84% | 0.841 | S | S | * | * | trans | 39.6 | 135.5 | 147.9 | -57.9 | 172.5 | 0 | 0 | 0 | 122.3 | ||||
| 8 | G | 31.4 | Very low | 37.9 | Very low | 82 Ų | 82 | 150.7 Ų | 150.7 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | 175.3 | 109.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 9 | A | 37.7 | Very low | 37.8 | Very low | 97 Ų | 97 | 149.6 Ų | 149.6 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | trans | -112.2 | 147 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 10 | N | 34 | Very low | 37.5 | Very low | 173 Ų | 173 | 150.1 Ų | 150.1 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | -167.8 | 147.4 | 150.2 | -111.9 | -21.8 | 0 | 0 | 0 | 113.6 | ||||
| 11 | S | 39.3 | Very low | 37.6 | Very low | 108 Ų | 108 | 148.3 Ų | 148.3 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | trans | -79.2 | 179.1 | 166.9 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 12 | P | 43.6 | Very low | 38.1 | Very low | 128 Ų | 128 | 143 Ų | 143 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | -152.4 | 162.7 | 97 | 38.1 | -20 | 0 | 0 | 0 | 118.5 | |||||
| 13 | Q | 36.1 | Very low | 38 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -150.9 | 177.4 | 155.9 | -100.8 | -153.6 | 18 | 0 | 0 | 105.6 | ||||
| 14 | P | 59.8 | Low | 38 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | cis | -138.2 | -171.4 | -22.9 | 33 | -11.4 | 0 | 0 | 0 | 114.3 | ||||
| 15 | G | 32.6 | Very low | 37.6 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | 111.2 | 167.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 16 | R | 36.9 | Very low | 37.5 | Very low | 218 Ų | 218 | 132.5 Ų | 132.5 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | cis | -168.4 | 149.5 | -15.2 | -106.2 | -171.2 | -177.6 | -146.2 | 2 | 110 | ||||
| 17 | R | 32.9 | Very low | 38.1 | Very low | 230 Ų | 230 | 131.2 Ų | 131.2 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | 37.9 | 145.1 | 149.6 | -67 | -174 | 177 | -171.1 | -2.6 | 124.2 | ||||
| 18 | G | 32.3 | Very low | 38 | Very low | 63 Ų | 63 | 128.4 Ų | 128.4 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | 140 | 95.4 | 147.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 19 | T | 37.3 | Very low | 39.2 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | 71.5 | 113.7 | 95.6 | 54.9 | 0 | 0 | 0 | 0 | 117 | |||||
| 20 | D | 31.4 | Very low | 39.3 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | 174.7 | 164.9 | 119 | -87.6 | -16.6 | 0 | 0 | 0 | 113.8 | |||||
| 21 | S | 38.8 | Very low | 39.4 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -141.5 | 160.8 | 174.6 | -58.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 22 | P | 51.7 | Low | 39.1 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | -158.3 | 166.3 | 98.5 | 39.2 | -20.2 | 0 | 0 | 0 | 118.1 | |||||
| 23 | A | 36 | Very low | 38.4 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 55.1 | 146.3 | 146.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 24 | S | 35.4 | Very low | 38.4 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | cis | -158.4 | -171.7 | -1.6 | 54.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 25 | S | 32.6 | Very low | 37.7 | Very low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | cis | -150.2 | -162.2 | 12.6 | 70.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 26 | E | 31.8 | Very low | 37.7 | Very low | 140 Ų | 140 | 128 Ų | 128 | 65% | 0.654 | 78% | 0.781 | S | S | * | * | trans | -120.2 | 179.6 | -176.7 | -130.3 | -165.3 | 134.5 | 0 | 0 | 111 | T28 | E26-T28 WeakPolarHBondContact OE1-CG2 3.14Å; E26-T28 PolarHBondContact OE1-OG1 2.66Å | ||
| 27 | P | 49.1 | Very low | 38.8 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | cis | -142 | 171.6 | 49.9 | 38.5 | -17.2 | 0 | 0 | 0 | 118.8 | ||||
| 28 | T | 38.5 | Very low | 39.3 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | trans | -108.4 | -177.8 | 178 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | E26 | E26-T28 WeakPolarHBondContact OE1-CG2 3.14Å; E26-T28 PolarHBondContact OE1-OG1 2.66Å | ||
| 29 | P | 55.4 | Low | 39.2 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | -154.8 | 147.7 | 86.5 | 38 | -17.5 | 0 | 0 | 0 | 119.6 | |||||
| 30 | A | 39.8 | Very low | 38.9 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 59.5 | 152.3 | 144.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 31 | N | 35.6 | Very low | 38.8 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | cis | -159.7 | 146.6 | 23.1 | -159.5 | 11.2 | 0 | 0 | 0 | 114.2 | ||||
| 32 | K | 34.1 | Very low | 38.5 | Very low | 196 Ų | 196 | 126.5 Ų | 126.5 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | trans | 20.2 | 146.1 | 156.7 | -67.6 | 165.5 | -168.7 | -178.6 | 0 | 122.6 | ||||
| 33 | G | 29.4 | Very low | 37.9 | Very low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | cis | 177.8 | -179.6 | 3.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 34 | S | 35.7 | Very low | 37.6 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -117.3 | 177.1 | 180 | -45.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 35 | P | 44 | Very low | 37.3 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | -150.4 | -178.3 | 81.8 | 39.2 | -19.3 | 0 | 0 | 0 | 116.1 | |||||
| 36 | A | 32.7 | Very low | 37.2 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | -124.8 | -155.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 37 | P | 60.6 | Low | 37.1 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | -103.2 | -172 | -110 | 41.5 | -28.2 | 0 | 0 | 0 | 114.3 | |||||
| 38 | P | 43.2 | Very low | 36.1 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -145.8 | -177.6 | 132.9 | 36.4 | -19.1 | 0 | 0 | 0 | 116.2 | ||||
| 39 | Q | 30.3 | Very low | 35.7 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -108.9 | 160.4 | -170.6 | -56.3 | 168.4 | -46.6 | 0 | 0 | 114.3 | ||||
| 40 | Q | 31.3 | Very low | 34.4 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | 71.6 | 148.4 | 137.5 | -95.5 | -172.5 | 4.8 | 0 | 0 | 124.9 | ||||
| 41 | Q | 28.5 | Very low | 33.9 | Very low | 178 Ų | 178 | 135 Ų | 135 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | 91.8 | 135.9 | 157.9 | -71.7 | 175.5 | 22.7 | 0 | 0 | 121.2 | ||||
| 42 | S | 32.8 | Very low | 33.7 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -94.6 | 170.4 | -179.1 | -39.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 43 | P | 39.3 | Very low | 33.5 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 80% | 0.799 | 83% | 0.83 | S | S | * | * | -155.8 | 165.4 | 103.5 | 39.1 | -20.8 | 0 | 0 | 0 | 118.6 | |||||
| 44 | A | 28.6 | Very low | 33.7 | Very low | 93 Ų | 93 | 139 Ų | 139 | 77% | 0.769 | 84% | 0.836 | S | S | * | * | trans | 56.3 | 109.4 | 141.6 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 45 | A | 30.9 | Very low | 33.5 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | 44 | 126.3 | 121.2 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 46 | E | 29.6 | Very low | 32.8 | Very low | 202 Ų | 202 | 137.7 Ų | 137.7 | 94% | 0.944 | 84% | 0.837 | S | S | * | * | -156.4 | 168.9 | 122 | -120.1 | 177.3 | 165.4 | 0 | 0 | 111.8 | |||||
| 47 | Q | 29.1 | Very low | 32.8 | Very low | 191 Ų | 191 | 142.9 Ų | 142.9 | 89% | 0.893 | 85% | 0.846 | S | S | * | * | trans | -109.7 | 152.6 | -160.1 | -61.9 | 170.9 | -20.4 | 0 | 0 | 114.9 | ||||
| 48 | S | 29.6 | Very low | 31.5 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 84% | 0.836 | S | S | * | * | trans | -156 | 131.5 | 145 | 64.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 49 | E | 29.8 | Very low | 31.5 | Very low | 201 Ų | 201 | 139.8 Ų | 139.8 | 94% | 0.939 | 84% | 0.836 | S | S | * | * | trans | -75.8 | 159.6 | -177.1 | -57.4 | 173.8 | 122.8 | 0 | 0 | 113.3 | ||||
| 50 | G | 28.3 | Very low | 31.8 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 76% | 0.763 | 84% | 0.836 | S | S | * | * | trans | 174.3 | 72.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 51 | A | 29.6 | Very low | 32.1 | Very low | 111 Ų | 111 | 138 Ų | 138 | 92% | 0.917 | 84% | 0.838 | S | S | * | * | trans | 61.8 | 146.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 52 | A | 30.3 | Very low | 32.5 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 83% | 0.826 | 84% | 0.841 | S | S | * | * | trans | -104.9 | 147.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 53 | E | 30 | Very low | 33 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 91% | 0.907 | 84% | 0.837 | S | S | * | * | trans | -147.5 | 123.6 | 149.8 | -131.2 | 174.5 | -167.1 | 0 | 0 | 109.4 | ||||
| 54 | E | 34.2 | Very low | 33.6 | Very low | 193 Ų | 193 | 138.3 Ų | 138.3 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -76 | 127.7 | 177.8 | -68 | -179.4 | 126 | 0 | 0 | 110.4 | ||||
| 55 | T | 30.1 | Very low | 34.8 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | -131 | 124.4 | 156.7 | 45.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 56 | G | 30.3 | Very low | 36.2 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -74.4 | 137 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G58 | G56-G58 PolarHBondContact O-N 3.1Å; G56-G58 VanDerWaalsContact O-N 3.12Å | ||
| 57 | E | 31.8 | Very low | 37.5 | Very low | 199 Ų | 199 | 133.3 Ų | 133.3 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | trans | -69.1 | 104.2 | 170.6 | -67.7 | -172.8 | 128.7 | 0 | 0 | 110.8 | ||||
| 58 | G | 34 | Very low | 39.1 | Very low | 55 Ų | 55 | 128.2 Ų | 128.2 | 57% | 0.567 | 78% | 0.779 | S | S | * | * | trans | -70.6 | 150.1 | 160 | 0 | 0 | 0 | 0 | 0 | 110.7 | G56 S60 | G56-G58 PolarHBondContact O-N 3.1Å; G56-G58 VanDerWaalsContact O-N 3.12Å; G58-S60 PolarHBondContact O-N 3.45Å | ||
| 59 | P | 42.8 | Very low | 40.8 | Very low | 129 Ų | 129 | 126 Ų | 126 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -63.4 | 133.5 | -176.3 | 26.7 | -34.5 | 0 | 0 | 0 | 111 | K61 | P59-K61 PolarHBondContact O-N 3.29Š| ||
| 60 | S | 37 | Very low | 42.9 | Very low | 120 Ų | 120 | 123.2 Ų | 123.2 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | trans | -58.7 | 96.9 | -176.5 | -42.5 | 0 | 0 | 0 | 0 | 111.5 | G58 M62 | G58-S60 PolarHBondContact O-N 3.45Å; S60-M62 PolarHBondContact O-N 2.82Å | ||
| 61 | K | 37.9 | Very low | 45.3 | Very low | 186 Ų | 186 | 125.3 Ų | 125.3 | 81% | 0.809 | 72% | 0.723 | S | S | * | * | trans | -67.1 | 104.1 | 177.5 | -166 | 178.2 | -172.6 | -178.3 | 0 | 108.4 | P59 T63 | P59-K61 PolarHBondContact O-N 3.29Å; K61-T63 VanDerWaalsContact C-N 3.25Å; K61-T63 HydrophobicContact CG-CG2 4.43Å; K61-T63 PolarHBondContact O-N 3.26Å | ||
| 62 | M | 35.4 | Very low | 47.5 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 89% | 0.887 | 72% | 0.722 | S | S | * | * | trans | -64.8 | 86.5 | 172.4 | -66.9 | -174.9 | -173.9 | 0 | 0 | 109.4 | S60 L64 | S60-M62 PolarHBondContact O-N 2.82Å; M62-L64 PolarHBondContact O-N 3.07Å | ||
| 63 | T | 43.8 | Very low | 49.7 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 73% | 0.73 | 72% | 0.72 | S | S | * | * | trans | -73.5 | 83 | 170.5 | 48.5 | 0 | 0 | 0 | 0 | 108.9 | K61 D65 | K61-T63 VanDerWaalsContact C-N 3.25Å; K61-T63 HydrophobicContact CG-CG2 4.43Å; K61-T63 PolarHBondContact O-N 3.26Å; T63-D65 PolarHBondContact O-N 3.28Å | ||
| 64 | L | 51.5 | Low | 52.2 | Low | 121 Ų | 121 | 117.5 Ų | 117.5 | 63% | 0.634 | 68% | 0.683 | S | S | * | * | trans | -53.2 | 127.8 | 160 | -69.3 | 168.7 | 0 | 0 | 0 | 107.9 | M62 I66 F69 | M62-L64 PolarHBondContact O-N 3.07Å; L64-I66 PolarHBondContact O-N 3.19Å; L64-F69 HydrophobicContact CB-CE2 4.05Å; L64-F69 HydrophobicContact CB-CZ 4.02Å; L64-F69 HydrophobicContact CD1-CZ 4.44Å; L64-F69 HydrophobicContact CD2-CZ 4.4Å | ||
| 65 | D | 54.5 | Low | 54.7 | Low | 115 Ų | 115 | 111.9 Ų | 111.9 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | trans | -71.8 | 99.8 | -179.1 | -174.6 | 0.2 | 0 | 0 | 0 | 110.1 | T63 A67 S68 F69 | T63-D65 PolarHBondContact O-N 3.28Å; D65-A67 PolarHBondContact O-N 3.27Å; D65-A67 VanDerWaalsContact O-N 3.09Å; D65-A67 PolarHBondContact OD1-N 3.15Å; D65-S68 WeakPolarHBondContact O-CB 3.41Å; D65-S68 PolarHBondContact O-N 3.1Å; D65-S68 PolarHBondContact O-OG 3.3Å; D65-F69 WeakPolarHBondContact O-CD2 3.39Å; D65-F69 VanDerWaalsContact O-CE2 3.25Å; D65-F69 WeakPolarHBondContact O-CE2 3.41Å | ||
| 66 | I | 59.8 | Low | 57.4 | Low | 88 Ų | 88 | 107.8 Ų | 107.8 | 45% | 0.451 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -56 | -27.7 | -173.3 | -68.7 | 170.7 | 0 | 0 | 0 | 112.1 | L64 S68 L128 | L64-I66 PolarHBondContact O-N 3.19Å; I66-S68 PolarHBondContact O-N 3.22Å; I66-L128 HydrophobicContact CG1-CD2 4.47Å; I66-L128 HydrophobicContact CG2-CD1 3.9Å; I66-L128 HydrophobicContact CG2-CD2 3.7Å; I66-L128 HydrophobicContact CG2-CG 4.3Å |
| 67 | A | 56.9 | Low | 60.2 | Low | 86 Ų | 86 | 106.8 Ų | 106.8 | 71% | 0.711 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -67.1 | -20.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D65 | D65-A67 PolarHBondContact O-N 3.27Å; D65-A67 VanDerWaalsContact O-N 3.09Å; D65-A67 PolarHBondContact OD1-N 3.15Å |
| 68 | S | 62.7 | Low | 63 | Low | 84 Ų | 84 | 97.9 Ų | 97.9 | 59% | 0.587 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -83.2 | -8.3 | -174.2 | 67.6 | 0 | 0 | 0 | 0 | 115.4 | D65 I66 R70 | D65-S68 WeakPolarHBondContact O-CB 3.41Å; D65-S68 PolarHBondContact O-N 3.1Å; D65-S68 PolarHBondContact O-OG 3.3Å; I66-S68 PolarHBondContact O-N 3.22Å; S68-R70 PolarHBondContact O-N 2.75Å |
| 69 | F | 65.8 | Low | 65.6 | Low | 75 Ų | 75 | 97.2 Ų | 97.2 | 33% | 0.329 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -93.7 | 12 | -168.3 | -65.1 | -82.2 | 0 | 0 | 0 | 116.1 | L64 D65 T127 | L64-F69 HydrophobicContact CB-CE2 4.05Å; L64-F69 HydrophobicContact CB-CZ 4.02Å; L64-F69 HydrophobicContact CD1-CZ 4.44Å; L64-F69 HydrophobicContact CD2-CZ 4.4Å; D65-F69 WeakPolarHBondContact O-CD2 3.39Å; D65-F69 VanDerWaalsContact O-CE2 3.25Å; D65-F69 WeakPolarHBondContact O-CE2 3.41Å; F69-T127 HydrophobicContact CB-CG2 4.5Å; F69-T127 PolarHBondContact O-OG1 3.04Å |
| 70 | R | 74.9 | Confident | 67.8 | Low | 142 Ų | 142 | 94.3 Ų | 94.3 | 54% | 0.536 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -86 | 125.7 | 179.9 | -174.2 | 177.6 | 178.6 | -170 | -0.8 | 111 | S68 E74 | S68-R70 PolarHBondContact O-N 2.75Å; R70-E74 HydrophobicContact CG-CB 4.28Å; R70-E74 VanDerWaalsContact CZ-O 3.23Å; R70-E74 PolarHBondContact NE-O 3.16Å; R70-E74 PolarHBondContact NH2-O 2.97Å |
| 71 | K | 77.3 | Confident | 70.4 | Confident | 117 Ų | 117 | 88.6 Ų | 88.6 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 146.3 | 175.5 | -63.9 | 172.9 | -177.3 | 174.1 | 0 | 110.2 | G73 E74 | K71-G73 PolarHBondContact O-N 2.95Å; K71-E74 HydrophobicContact CB-CB 4.09Å; K71-E74 WeakPolarHBondContact CB-OE2 3.46Å; K71-E74 PolarHBondContact N-OE2 3.39Å; K71-E74 WeakPolarHBondContact O-CB 3.44Å; K71-E74 PolarHBondContact O-N 3.32Å |
| 72 | P | 77.3 | Confident | 73 | Confident | 137 Ų | 137 | 82.1 Ų | 82.1 | 89% | 0.89 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 128.4 | 175.6 | -26.5 | 35.1 | 0 | 0 | 0 | 111.3 | E74 | P72-E74 VanDerWaalsContact C-N 3.26Å; P72-E74 PolarHBondContact O-N 3.38Å |
| 73 | G | 76.3 | Confident | 75.8 | Confident | 76 Ų | 76 | 73.5 Ų | 73.5 | 78% | 0.784 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | -4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | K71 K75 | K71-G73 PolarHBondContact O-N 2.95Å; G73-K75 PolarHBondContact O-N 2.89Å |
| 74 | E | 82.8 | Confident | 78.2 | Confident | 29 Ų | 29 | 70.7 Ų | 70.7 | 14% | 0.136 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 124.4 | 179 | -173 | 171.9 | -169.2 | 0 | 0 | 111 | R70 K71 P72 R126 | R70-E74 HydrophobicContact CG-CB 4.28Å; R70-E74 VanDerWaalsContact CZ-O 3.23Å; R70-E74 PolarHBondContact NE-O 3.16Å; R70-E74 PolarHBondContact NH2-O 2.97Å; K71-E74 HydrophobicContact CB-CB 4.09Å; K71-E74 WeakPolarHBondContact CB-OE2 3.46Å; K71-E74 PolarHBondContact N-OE2 3.39Å; K71-E74 WeakPolarHBondContact O-CB 3.44Å; K71-E74 PolarHBondContact O-N 3.32Å; P72-E74 VanDerWaalsContact C-N 3.26Å; P72-E74 PolarHBondContact O-N 3.38Å; E74-R126 PolarHBondContact OE1-N 3.43Å |
| 75 | K | 85.2 | Confident | 80.1 | Confident | 75 Ų | 75 | 64.9 Ų | 64.9 | 33% | 0.326 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 141.1 | 174.1 | -56.3 | -173.6 | -163.9 | -177.7 | 0 | 109.3 | G73 T78 E172 V181 E182 | G73-K75 PolarHBondContact O-N 2.89Å; K75-T78 HydrophobicContact CB-CG2 3.85Å; K75-T78 VanDerWaalsContact O-CG2 3.3Å; K75-T78 WeakPolarHBondContact O-CG2 3.36Å; K75-E172 WeakPolarHBondContact CE-OE1 3.35Å; K75-E172 IonicContact NZ-OE1 3.8Å; K75-E172 PolarHBondContact NZ-OE1 2.96Å; K75-V181 PolarHBondContact NZ-O 3.42Å; K75-E182 WeakPolarHBondContact CD-O 3.17Å; K75-E182 WeakPolarHBondContact CE-O 3.26Å |
| 76 | T | 88.5 | Confident | 81.9 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 31% | 0.307 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -82.4 | 156.1 | 178.6 | 50.2 | 0 | 0 | 0 | 0 | 111.3 | T78 E124 | T76-T78 VanDerWaalsContact C-N 3.32Å; T76-T78 PolarHBondContact O-N 3.16Å; T76-E124 CarbonylContact C-O 3.45Å; T76-E124 WeakPolarHBondContact CA-O 3.32Å; T76-E124 WeakPolarHBondContact CB-O 3.32Å; T76-E124 HydrophobicContact CG2-CG 3.72Å |
| 77 | F | 87.8 | Confident | 83.4 | Confident | 60 Ų | 60 | 57.8 Ų | 57.8 | 26% | 0.263 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 55.7 | 40.4 | 177.1 | -49.7 | -70.7 | 0 | 0 | 0 | 114.7 | N106 N108 C122 L123 E124 | F77-N106 HydrophobicContact CE1-CB 4.21Å; F77-N106 HydrophobicContact CZ-CB 3.97Å; F77-N108 HydrophobicContact CB-CB 3.95Å; F77-N108 HydrophobicContact CD1-CB 3.21Å; F77-N108 HydrophobicContact CD2-CB 4.16Å; F77-N108 HydrophobicContact CE1-CB 3.63Å; F77-N108 HydrophobicContact CG-CB 3.51Å; F77-N108 HydrophobicContact CZ-CB 4.27Å; F77-C122 PolarHBondContact O-SG 3.06Å; F77-L123 WeakPolarHBondContact CD1-O 3.42Å; F77-E124 HydrophobicContact CD1-CB 4.35Å; F77-E124 HydrophobicContact CE1-CB 3.7Å; F77-E124 HydrophobicContact CE1-CG 4.15Å; F77-E124 HydrophobicContact CE2-CG 4.16Å; F77-E124 HydrophobicContact CZ-CB 3.84Å; F77-E124 HydrophobicContact CZ-CG 3.79Å; F77-E124 PolarHBondContact N-O 2.92Å |
| 78 | T | 90.4 | Very high | 84.9 | Confident | 12 Ų | 12 | 53.8 Ų | 53.8 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | trans | -81.2 | 162.7 | 177.5 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | K75 T76 R80 S81 R82 E182 | K75-T78 HydrophobicContact CB-CG2 3.85Å; K75-T78 VanDerWaalsContact O-CG2 3.3Å; K75-T78 WeakPolarHBondContact O-CG2 3.36Å; T76-T78 VanDerWaalsContact C-N 3.32Å; T76-T78 PolarHBondContact O-N 3.16Å; T78-R80 PolarHBondContact O-N 2.73Å; T78-S81 PolarHBondContact N-OG 2.91Å; T78-S81 PolarHBondContact O-N 2.98Å; T78-S81 PolarHBondContact O-OG 3.1Å; T78-S81 VanDerWaalsContact O-OG 3.05Å; T78-R82 PolarHBondContact O-N 3Å; T78-E182 WeakPolarHBondContact CA-OE2 3.46Å; T78-E182 WeakPolarHBondContact CB-OE2 3.31Å; T78-E182 HydrophobicContact CG2-CB 3.88Å; T78-E182 HydrophobicContact CG2-CG 4.01Å | ||
| 79 | Q | 89.4 | Confident | 86.1 | Confident | 41 Ų | 41 | 50 Ų | 50 | 19% | 0.192 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -58.6 | -16.5 | 171.2 | -81.9 | 168.8 | 79.4 | 0 | 0 | 113.2 | R82 H153 E182 F202 A203 | Q79-R82 WeakPolarHBondContact O-CB 3.45Å; Q79-R82 PolarHBondContact O-N 3.4Å; Q79-H153 WeakPolarHBondContact CB-CD2 3.24Å; Q79-E182 PolarHBondContact N-OE1 3.01Å; Q79-E182 PolarHBondContact N-OE2 2.94Å; Q79-E182 PolarHBondContact NE2-OE1 3.32Å; Q79-F202 PolarHBondContact NE2-O 2.7Å; Q79-A203 PolarHBondContact NE2-O 2.73Å |
| 80 | R | 88.4 | Confident | 87 | Confident | 68 Ų | 68 | 51.7 Ų | 51.7 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -80.4 | -19.3 | 174.4 | -65.7 | -172.1 | 67.6 | -148 | 12.3 | 114.7 | T78 E201 | T78-R80 PolarHBondContact O-N 2.73Å; R80-E201 WeakPolarHBondContact CD-OE2 3.36Å; R80-E201 IonicContact NE-OE1 2.7Å |
| 81 | S | 91.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -97.4 | 10.9 | 167.6 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | T78 L123 T125 | T78-S81 PolarHBondContact N-OG 2.91Å; T78-S81 PolarHBondContact O-N 2.98Å; T78-S81 PolarHBondContact O-OG 3.1Å; T78-S81 VanDerWaalsContact O-OG 3.05Å; S81-L123 WeakPolarHBondContact CB-O 3.19Å; S81-L123 PolarHBondContact O-N 3.03Å; S81-L123 VanDerWaalsContact O-N 3.08Å; S81-L123 PolarHBondContact OG-O 3.11Å; S81-T125 VanDerWaalsContact CB-C 3.4Å; S81-T125 VanDerWaalsContact CB-O 3.26Å; S81-T125 WeakPolarHBondContact CB-O 3.43Å |
| 82 | R | 93.1 | Very high | 88.1 | Confident | 49 Ų | 49 | 44.3 Ų | 44.3 | 19% | 0.185 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 121.7 | 174.6 | -160.9 | 174.3 | -169 | -108.3 | 3.3 | 110.6 | T78 Q79 E109 V121 C122 A151 | T78-R82 PolarHBondContact O-N 3Å; Q79-R82 WeakPolarHBondContact O-CB 3.45Å; Q79-R82 PolarHBondContact O-N 3.4Å; R82-E109 IonicContact CZ-OE1 2.65Å; R82-E109 IonicContact CZ-OE2 3.42Å; R82-E109 IonicContact NE-OE1 3.28Å; R82-E109 IonicContact NE-OE2 3.3Å; R82-E109 PolarHBondContact NE-OE2 2.82Å; R82-E109 IonicContact NH2-OE1 3.23Å; R82-E109 PolarHBondContact NH2-OE1 2.66Å; R82-E109 IonicContact NH2-OE2 2.82Å; R82-V121 CarbonylContact C-O 3.54Å; R82-V121 VanDerWaalsContact CA-O 3.28Å; R82-V121 WeakPolarHBondContact CA-O 3.37Å; R82-C122 HydrophobicContact CG-CB 4.36Å; R82-A151 HydrophobicContact CB-CB 4.06Å; R82-A151 HydrophobicContact CG-CB 3.98Å; R82-A151 WeakPolarHBondContact O-CB 3.06Å; R82-A151 PolarHBondContact O-N 2.82Å |
| 83 | L | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 143.3 | 175.1 | -62.5 | 174 | 0 | 0 | 0 | 110.5 | F101 F120 V121 L123 A129 A132 K133 V148 R149 F150 | L83-F101 HydrophobicContact CD1-CE1 3.93Å; L83-F120 VanDerWaalsContact O-CA 3.25Å; L83-F120 WeakPolarHBondContact O-CA 3.39Å; L83-V121 HydrophobicContact CB-CG1 3.85Å; L83-V121 HydrophobicContact CD1-CG1 4.45Å; L83-V121 PolarHBondContact N-O 3.25Å; L83-V121 PolarHBondContact O-N 3.45Å; L83-L123 HydrophobicContact CD1-CD1 3.94Å; L83-A129 HydrophobicContact CD1-CB 4.25Å; L83-A129 HydrophobicContact CD2-CB 4.07Å; L83-A129 HydrophobicContact CG-CB 4.04Å; L83-A132 HydrophobicContact CD1-CB 3.88Å; L83-K133 HydrophobicContact CD2-CB 4.31Å; L83-V148 HydrophobicContact CB-CG1 4.27Å; L83-V148 HydrophobicContact CD1-CG1 3.96Å; L83-V148 HydrophobicContact CD2-CG1 4.42Å; L83-V148 HydrophobicContact CG-CG1 4.46Å; L83-R149 CarbonylContact C-O 3.58Å; L83-R149 WeakPolarHBondContact CA-O 3.28Å; L83-F150 HydrophobicContact CD2-CD1 3.83Å; L83-F150 HydrophobicContact CD2-CE1 3.84Å; L83-F150 HydrophobicContact CD2-CG 4.37Å; L83-F150 HydrophobicContact CD2-CZ 4.38Å |
| 84 | F | 93.7 | Very high | 89.2 | Confident | 59 Ų | 59 | 41 Ų | 41 | 26% | 0.259 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 130.8 | 163.8 | 169.7 | -96.1 | 0 | 0 | 0 | 108.8 | F118 F120 V148 R149 | F84-F118 HydrophobicContact CD2-CD2 4.31Å; F84-F118 HydrophobicContact CE2-CB 3.61Å; F84-F118 HydrophobicContact CE2-CD1 4.45Å; F84-F118 AromaticContact CE2-CD2 3.7Å; F84-F118 HydrophobicContact CE2-CD2 3.7Å; F84-F118 AromaticContact CE2-CG 3.68Å; F84-F118 HydrophobicContact CE2-CG 3.68Å; F84-F118 HydrophobicContact CZ-CB 3.8Å; F84-F118 HydrophobicContact CZ-CG 4.23Å; F84-F120 HydrophobicContact CB-CD1 4.11Å; F84-F120 HydrophobicContact CB-CE1 3.9Å; F84-F120 HydrophobicContact CD2-CD1 4.26Å; F84-F120 AromaticContact CD2-CE1 3.65Å; F84-F120 HydrophobicContact CD2-CE1 3.65Å; F84-F120 AromaticContact CD2-CZ 3.89Å; F84-F120 HydrophobicContact CD2-CZ 3.89Å; F84-F120 HydrophobicContact CG-CE1 4.26Å; F84-V148 WeakPolarHBondContact O-CA 3.36Å; F84-R149 PolarHBondContact N-O 3.02Å; F84-R149 PolarHBondContact O-N 3.04Å |
| 85 | V | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 101.9 | 178.1 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | L88 F97 F101 F118 G119 V121 K147 V148 | V85-L88 HydrophobicContact CG1-CD2 3.82Å; V85-L88 HydrophobicContact CG1-CG 4.12Å; V85-F97 HydrophobicContact CB-CE2 3.86Å; V85-F97 HydrophobicContact CB-CZ 4.11Å; V85-F97 HydrophobicContact CG1-CE2 3.99Å; V85-F97 HydrophobicContact CG2-CE2 3.94Å; V85-F97 HydrophobicContact CG2-CZ 3.83Å; V85-F101 HydrophobicContact CG2-CE2 3.85Å; V85-F101 HydrophobicContact CG2-CZ 3.5Å; V85-F118 CarbonylContact O-C 3.56Å; V85-F118 WeakPolarHBondContact O-CA 3.47Å; V85-F118 WeakPolarHBondContact O-CB 3.09Å; V85-G119 PolarHBondContact N-O 3.41Å; V85-G119 PolarHBondContact O-N 3.25Å; V85-V121 HydrophobicContact CG2-CG1 4.41Å; V85-K147 CarbonylContact C-O 3.58Å; V85-K147 WeakPolarHBondContact CA-O 3.39Å; V85-V148 HydrophobicContact CG1-CG2 4.27Å; V85-V148 HydrophobicContact CG2-CG2 4.45Å |
| 86 | G | 92.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 168.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L88 K147 | G86-L88 PolarHBondContact O-N 2.93Å; G86-K147 PolarHBondContact N-O 3.48Å; G86-K147 PolarHBondContact O-N 2.96Å |
| 87 | S | 90.1 | Very high | 89.9 | Confident | 49 Ų | 49 | 45.3 Ų | 45.3 | 34% | 0.343 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 63.3 | 26 | -179.5 | -163.7 | 0 | 0 | 0 | 0 | 114.4 | G117 R144 A145 | S87-G117 PolarHBondContact N-O 3.3Å; S87-R144 WeakPolarHBondContact O-CB 3.33Å; S87-A145 VanDerWaalsContact CB-O 3.31Å; S87-A145 WeakPolarHBondContact CB-O 3.42Å; S87-A145 PolarHBondContact OG-O 3.03Å |
| 88 | L | 89.6 | Confident | 90 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -60.6 | 150.3 | 169 | -68.2 | 172.3 | 0 | 0 | 0 | 110.5 | V85 G86 I92 F97 I112 G117 R144 L146 | V85-L88 HydrophobicContact CG1-CD2 3.82Å; V85-L88 HydrophobicContact CG1-CG 4.12Å; G86-L88 PolarHBondContact O-N 2.93Å; L88-I92 HydrophobicContact CB-CG2 4.24Å; L88-I92 HydrophobicContact CD1-CG2 4.41Å; L88-F97 HydrophobicContact CD1-CD2 4.13Å; L88-F97 HydrophobicContact CD1-CE2 3.88Å; L88-F97 HydrophobicContact CD2-CD2 4.04Å; L88-F97 HydrophobicContact CD2-CE2 4.08Å; L88-I112 HydrophobicContact CD1-CG2 4.34Å; L88-G117 PolarHBondContact N-O 3.24Å; L88-R144 PolarHBondContact O-NH1 2.73Å; L88-L146 HydrophobicContact CD2-CD2 3.83Å | ||
| 89 | P | 86.7 | Confident | 90 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | trans | -79.9 | 162.1 | 171.1 | 41.3 | -40.3 | 0 | 0 | 0 | 110 | D91 I92 L141 N142 | P89-D91 VanDerWaalsContact C-N 3.29Å; P89-D91 WeakPolarHBondContact CB-OD1 3.37Å; P89-D91 VanDerWaalsContact CG-OD1 3.24Å; P89-D91 WeakPolarHBondContact CG-OD1 3.3Å; P89-D91 PolarHBondContact O-N 3.17Å; P89-I92 HydrophobicContact CG-CB 4.19Å; P89-I92 WeakPolarHBondContact O-CG2 3.3Å; P89-L141 HydrophobicContact CG-CD2 3.61Å; P89-N142 HydrophobicContact CB-CB 4.05Å; P89-N142 HydrophobicContact CG-CB 4.09Å | ||
| 90 | L | 86.1 | Confident | 90 | Very high | 109 Ų | 109 | 51.7 Ų | 51.7 | 57% | 0.571 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -20.3 | -170.1 | -75.8 | 144.6 | 0 | 0 | 0 | 113.6 | R114 | L90-R114 WeakPolarHBondContact CD2-O 3.36Š|
| 91 | D | 86.1 | Confident | 90.1 | Very high | 101 Ų | 101 | 48.5 Ų | 48.5 | 54% | 0.54 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -12.4 | -178.3 | 53 | -16.1 | 0 | 0 | 0 | 113.7 | P89 T93 N142 | P89-D91 VanDerWaalsContact C-N 3.29Å; P89-D91 WeakPolarHBondContact CB-OD1 3.37Å; P89-D91 VanDerWaalsContact CG-OD1 3.24Å; P89-D91 WeakPolarHBondContact CG-OD1 3.3Å; P89-D91 PolarHBondContact O-N 3.17Å; D91-T93 PolarHBondContact O-N 3.05Å; D91-N142 PolarHBondContact OD1-ND2 3.46Å; D91-N142 PolarHBondContact OD2-ND2 3.22Å |
| 92 | I | 87.5 | Confident | 89.9 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | trans | -57.2 | 126.7 | -174.5 | -161.9 | 70.6 | 0 | 0 | 0 | 112.7 | L88 P89 E96 F97 I112 R114 L141 | L88-I92 HydrophobicContact CB-CG2 4.24Å; L88-I92 HydrophobicContact CD1-CG2 4.41Å; P89-I92 HydrophobicContact CG-CB 4.19Å; P89-I92 WeakPolarHBondContact O-CG2 3.3Å; I92-E96 HydrophobicContact CD1-CB 3.75Å; I92-F97 HydrophobicContact CG1-CB 4.37Å; I92-I112 HydrophobicContact CG2-CG2 4.11Å; I92-R114 PolarHBondContact O-NE 3.17Å; I92-R114 VanDerWaalsContact O-NE 3.09Å; I92-R114 PolarHBondContact O-NH2 2.8Å; I92-L141 HydrophobicContact CD1-CD1 4.36Å; I92-L141 HydrophobicContact CD1-CD2 4.04Å | ||
| 93 | T | 89.8 | Confident | 89.7 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 32% | 0.319 | 28% | 0.282 | S | S | . | . | trans | -86.6 | 160.6 | 172.9 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | D91 E95 E96 F97 | D91-T93 PolarHBondContact O-N 3.05Å; T93-E95 VanDerWaalsContact C-N 3.26Å; T93-E95 PolarHBondContact O-N 3.27Å; T93-E96 WeakPolarHBondContact CB-OE2 3.31Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.42Å; T93-E96 PolarHBondContact N-OE2 3.23Å; T93-E96 WeakPolarHBondContact OG1-CB 3.24Å; T93-E96 WeakPolarHBondContact OG1-CG 3.41Å; T93-E96 PolarHBondContact OG1-N 3.04Å; T93-E96 PolarHBondContact OG1-OE2 3.38Å; T93-F97 WeakPolarHBondContact O-CB 3.41Å; T93-F97 PolarHBondContact O-N 3.12Å; T93-F97 VanDerWaalsContact O-N 3.12Å | ||
| 94 | E | 88.9 | Confident | 89.4 | Confident | 92 Ų | 92 | 54.7 Ų | 54.7 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.6 | -31.1 | 176.3 | -163 | -171.7 | 135.8 | 0 | 0 | 111.9 | K98 V110 I112 | E94-K98 HydrophobicContact CG-CD 4.43Å; E94-K98 WeakPolarHBondContact O-CB 3.26Å; E94-K98 WeakPolarHBondContact O-CG 3.31Å; E94-K98 PolarHBondContact O-N 3.07Å; E94-K98 VanDerWaalsContact OE1-CE 3.24Å; E94-K98 WeakPolarHBondContact OE1-CE 3.1Å; E94-K98 IonicContact OE1-NZ 3.14Å; E94-K98 PolarHBondContact OE1-NZ 3.1Å; E94-V110 HydrophobicContact CG-CB 4.5Å; E94-V110 HydrophobicContact CG-CG1 3.74Å; E94-I112 HydrophobicContact CB-CD1 4.3Å; E94-I112 HydrophobicContact CG-CD1 4.33Å |
| 95 | E | 89.9 | Confident | 88.9 | Confident | 149 Ų | 149 | 53 Ų | 53 | 70% | 0.696 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -69.7 | -48.1 | 178.1 | -64.5 | 177.4 | -165.9 | 0 | 0 | 111.5 | T93 F97 K98 N99 | T93-E95 VanDerWaalsContact C-N 3.26Å; T93-E95 PolarHBondContact O-N 3.27Å; E95-F97 VanDerWaalsContact C-N 3.31Å; E95-F97 PolarHBondContact O-N 3.41Å; E95-K98 PolarHBondContact O-N 3.3Å; E95-N99 WeakPolarHBondContact O-CB 3.47Å; E95-N99 PolarHBondContact O-N 3.2Å; E95-N99 PolarHBondContact O-ND2 3.09Å |
| 96 | E | 89.8 | Confident | 88.5 | Confident | 95 Ų | 95 | 57.9 Ų | 57.9 | 44% | 0.444 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.7 | -45.4 | 172.7 | -71.2 | 160.8 | 145.4 | 0 | 0 | 111.2 | I92 T93 K98 N99 L100 | I92-E96 HydrophobicContact CD1-CB 3.75Å; T93-E96 WeakPolarHBondContact CB-OE2 3.31Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.42Å; T93-E96 PolarHBondContact N-OE2 3.23Å; T93-E96 WeakPolarHBondContact OG1-CB 3.24Å; T93-E96 WeakPolarHBondContact OG1-CG 3.41Å; T93-E96 PolarHBondContact OG1-N 3.04Å; T93-E96 PolarHBondContact OG1-OE2 3.38Å; E96-K98 PolarHBondContact O-N 3.22Å; E96-N99 PolarHBondContact O-N 2.97Å; E96-L100 WeakPolarHBondContact O-CG 3.45Å; E96-L100 PolarHBondContact O-N 3.47Å |
| 97 | F | 89.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 177.9 | -173 | -96.8 | 0 | 0 | 0 | 112.2 | V85 L88 I92 T93 E95 L100 F101 V110 I112 V121 | V85-F97 HydrophobicContact CB-CE2 3.86Å; V85-F97 HydrophobicContact CB-CZ 4.11Å; V85-F97 HydrophobicContact CG1-CE2 3.99Å; V85-F97 HydrophobicContact CG2-CE2 3.94Å; V85-F97 HydrophobicContact CG2-CZ 3.83Å; L88-F97 HydrophobicContact CD1-CD2 4.13Å; L88-F97 HydrophobicContact CD1-CE2 3.88Å; L88-F97 HydrophobicContact CD2-CD2 4.04Å; L88-F97 HydrophobicContact CD2-CE2 4.08Å; I92-F97 HydrophobicContact CG1-CB 4.37Å; T93-F97 WeakPolarHBondContact O-CB 3.41Å; T93-F97 PolarHBondContact O-N 3.12Å; T93-F97 VanDerWaalsContact O-N 3.12Å; E95-F97 VanDerWaalsContact C-N 3.31Å; E95-F97 PolarHBondContact O-N 3.41Å; F97-L100 PolarHBondContact O-N 3.27Å; F97-F101 HydrophobicContact CD2-CE2 4.48Å; F97-F101 HydrophobicContact CE1-CD2 4.42Å; F97-F101 HydrophobicContact CE1-CE2 4.42Å; F97-F101 AromaticContact CE2-CE2 3.96Å; F97-F101 HydrophobicContact CE2-CE2 3.96Å; F97-F101 HydrophobicContact CZ-CD2 4.38Å; F97-F101 AromaticContact CZ-CE2 3.94Å; F97-F101 HydrophobicContact CZ-CE2 3.94Å; F97-F101 WeakPolarHBondContact O-CD2 3.48Å; F97-V110 HydrophobicContact CD1-CG1 3.55Å; F97-V110 HydrophobicContact CD1-CG2 4.49Å; F97-V110 HydrophobicContact CE1-CG1 3.83Å; F97-I112 HydrophobicContact CB-CD1 3.57Å; F97-I112 HydrophobicContact CD1-CD1 3.94Å; F97-I112 HydrophobicContact CD1-CG1 4.19Å; F97-I112 HydrophobicContact CD2-CD1 4.3Å; F97-I112 HydrophobicContact CE1-CG1 4.49Å; F97-I112 HydrophobicContact CG-CD1 3.69Å; F97-I112 HydrophobicContact CG-CG1 4.24Å; F97-V121 HydrophobicContact CE1-CB 3.89Å; F97-V121 HydrophobicContact CZ-CB 4.22Å |
| 98 | K | 90.4 | Very high | 88.2 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 36% | 0.357 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 172.3 | -80.2 | 168.6 | 171.3 | 169 | 0 | 111.7 | E94 E95 E96 L100 F101 A102 I107 V110 | E94-K98 HydrophobicContact CG-CD 4.43Å; E94-K98 WeakPolarHBondContact O-CB 3.26Å; E94-K98 WeakPolarHBondContact O-CG 3.31Å; E94-K98 PolarHBondContact O-N 3.07Å; E94-K98 VanDerWaalsContact OE1-CE 3.24Å; E94-K98 WeakPolarHBondContact OE1-CE 3.1Å; E94-K98 IonicContact OE1-NZ 3.14Å; E94-K98 PolarHBondContact OE1-NZ 3.1Å; E95-K98 PolarHBondContact O-N 3.3Å; E96-K98 PolarHBondContact O-N 3.22Å; K98-L100 VanDerWaalsContact C-N 3.3Å; K98-L100 PolarHBondContact O-N 3.03Å; K98-F101 PolarHBondContact O-N 2.98Å; K98-F101 VanDerWaalsContact O-N 3.08Å; K98-A102 WeakPolarHBondContact O-CB 3.22Å; K98-A102 PolarHBondContact O-N 3.15Å; K98-I107 HydrophobicContact CB-CD1 4.38Å; K98-I107 HydrophobicContact CG-CD1 4.4Å; K98-I107 WeakPolarHBondContact O-CD1 3.43Å; K98-V110 HydrophobicContact CD-CG2 4.45Å; K98-V110 HydrophobicContact CG-CG2 3.83Å |
| 99 | N | 90.1 | Very high | 87.8 | Confident | 119 Ų | 119 | 66.5 Ų | 66.5 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.8 | -33.1 | -179 | -69.8 | -24.1 | 0 | 0 | 0 | 113 | E95 E96 F101 | E95-N99 WeakPolarHBondContact O-CB 3.47Å; E95-N99 PolarHBondContact O-N 3.2Å; E95-N99 PolarHBondContact O-ND2 3.09Å; E96-N99 PolarHBondContact O-N 2.97Å; N99-F101 VanDerWaalsContact C-N 3.3Å; N99-F101 PolarHBondContact O-N 2.78Å |
| 100 | L | 88.9 | Confident | 88 | Confident | 45 Ų | 45 | 67.6 Ų | 67.6 | 24% | 0.236 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 173 | -67.4 | 167.3 | 0 | 0 | 0 | 112.9 | E96 F97 K98 L141 | E96-L100 WeakPolarHBondContact O-CG 3.45Å; E96-L100 PolarHBondContact O-N 3.47Å; F97-L100 PolarHBondContact O-N 3.27Å; K98-L100 VanDerWaalsContact C-N 3.3Å; K98-L100 PolarHBondContact O-N 3.03Å; L100-L141 HydrophobicContact CD1-CD1 3.42Å; L100-L141 VanDerWaalsContact CD1-CD1 3.42Å; L100-L141 HydrophobicContact CD2-CD1 3.85Å; L100-L141 HydrophobicContact CG-CD1 4.21Å |
| 101 | F | 90.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -96 | -17.9 | -175.7 | -75 | -82.7 | 0 | 0 | 0 | 113.9 | L83 V85 F97 K98 N99 K103 Y104 I107 V121 L123 A132 L136 | L83-F101 HydrophobicContact CD1-CE1 3.93Å; V85-F101 HydrophobicContact CG2-CE2 3.85Å; V85-F101 HydrophobicContact CG2-CZ 3.5Å; F97-F101 HydrophobicContact CD2-CE2 4.48Å; F97-F101 HydrophobicContact CE1-CD2 4.42Å; F97-F101 HydrophobicContact CE1-CE2 4.42Å; F97-F101 AromaticContact CE2-CE2 3.96Å; F97-F101 HydrophobicContact CE2-CE2 3.96Å; F97-F101 HydrophobicContact CZ-CD2 4.38Å; F97-F101 AromaticContact CZ-CE2 3.94Å; F97-F101 HydrophobicContact CZ-CE2 3.94Å; F97-F101 WeakPolarHBondContact O-CD2 3.48Å; K98-F101 PolarHBondContact O-N 2.98Å; K98-F101 VanDerWaalsContact O-N 3.08Å; N99-F101 VanDerWaalsContact C-N 3.3Å; N99-F101 PolarHBondContact O-N 2.78Å; F101-K103 PolarHBondContact O-N 3.01Å; F101-K103 VanDerWaalsContact O-N 3.09Å; F101-Y104 HydrophobicContact CD1-CD2 4.22Å; F101-Y104 PolarHBondContact O-N 2.85Å; F101-I107 HydrophobicContact CB-CD1 3.66Å; F101-I107 HydrophobicContact CB-CG1 4.31Å; F101-V121 HydrophobicContact CB-CG2 4.26Å; F101-V121 HydrophobicContact CD1-CG1 3.85Å; F101-V121 HydrophobicContact CD1-CG2 4.49Å; F101-V121 HydrophobicContact CD2-CG1 4.17Å; F101-V121 HydrophobicContact CD2-CG2 4.41Å; F101-V121 HydrophobicContact CE1-CG1 3.71Å; F101-V121 HydrophobicContact CE2-CG1 4.07Å; F101-V121 HydrophobicContact CG-CG1 4.08Å; F101-V121 HydrophobicContact CG-CG2 4.13Å; F101-V121 HydrophobicContact CZ-CG1 3.86Å; F101-L123 HydrophobicContact CD1-CD1 4.38Å; F101-A132 HydrophobicContact CD1-CB 4.27Å; F101-A132 HydrophobicContact CE1-CB 4.26Å; F101-L136 HydrophobicContact CD1-CD1 3.86Å; F101-L136 HydrophobicContact CD2-CD1 4.37Å; F101-L136 HydrophobicContact CE1-CD1 3.4Å; F101-L136 VanDerWaalsContact CE1-CD1 3.4Å; F101-L136 HydrophobicContact CE2-CD1 3.96Å; F101-L136 HydrophobicContact CG-CD1 4.32Å; F101-L136 HydrophobicContact CZ-CD1 3.43Å; F101-L136 VanDerWaalsContact CZ-CD1 3.43Å |
| 102 | A | 88.3 | Confident | 88.5 | Confident | 58 Ų | 58 | 64 Ų | 64 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -57.8 | -26.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K98 Y104 G105 | K98-A102 WeakPolarHBondContact O-CB 3.22Å; K98-A102 PolarHBondContact O-N 3.15Å; A102-Y104 PolarHBondContact O-N 3.4Å; A102-G105 PolarHBondContact O-N 2.89Å |
| 103 | K | 88.6 | Confident | 88.7 | Confident | 113 Ų | 113 | 65.6 Ų | 65.6 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -68.6 | -16.3 | 173.9 | 54.1 | 159.8 | 158.5 | 165.6 | 0 | 114.5 | F101 E135 | F101-K103 PolarHBondContact O-N 3.01Å; F101-K103 VanDerWaalsContact O-N 3.09Å; K103-E135 IonicContact NZ-OE1 2.84Å; K103-E135 PolarHBondContact NZ-OE1 3.38Å |
| 104 | Y | 87 | Confident | 88.6 | Confident | 9 Ų | 9 | 69.3 Ų | 69.3 | 4% | 0.035 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -103.7 | 22.6 | 179.9 | -46.9 | -70.2 | 0 | 0 | 0 | 112.8 | F101 A102 L128 I131 A132 E135 L136 | F101-Y104 HydrophobicContact CD1-CD2 4.22Å; F101-Y104 PolarHBondContact O-N 2.85Å; A102-Y104 PolarHBondContact O-N 3.4Å; Y104-L128 WeakPolarHBondContact O-CB 3.45Å; Y104-L128 WeakPolarHBondContact O-CD1 3.24Å; Y104-L128 WeakPolarHBondContact O-CD2 3.1Å; Y104-I131 HydrophobicContact CD1-CG2 4.02Å; Y104-I131 HydrophobicContact CE1-CG2 4.13Å; Y104-A132 HydrophobicContact CD1-CB 4.15Å; Y104-A132 HydrophobicContact CD2-CB 3.47Å; Y104-A132 VanDerWaalsContact CD2-CB 3.47Å; Y104-A132 HydrophobicContact CE1-CB 4.47Å; Y104-A132 HydrophobicContact CE2-CB 3.84Å; Y104-A132 HydrophobicContact CG-CB 3.63Å; Y104-E135 HydrophobicContact CE1-CB 4.3Å; Y104-E135 WeakPolarHBondContact CE1-OE2 3.49Å; Y104-E135 WeakPolarHBondContact OH-CB 3.3Å; Y104-E135 VanDerWaalsContact OH-CG 3.3Å; Y104-E135 WeakPolarHBondContact OH-CG 3.35Å; Y104-E135 PolarHBondContact OH-OE1 3.48Å; Y104-L136 HydrophobicContact CE2-CD1 3.68Å; Y104-L136 HydrophobicContact CE2-CD2 4.28Å; Y104-L136 HydrophobicContact CE2-CG 3.79Å; Y104-L136 WeakPolarHBondContact OH-CG 3.46Å |
| 105 | G | 82.6 | Confident | 88.5 | Confident | 23 Ų | 23 | 73.3 Ų | 73.3 | 24% | 0.237 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 96.9 | -162.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | A102 | A102-G105 PolarHBondContact O-N 2.89Š|
| 106 | N | 86.4 | Confident | 88.4 | Confident | 102 Ų | 102 | 75.3 Ų | 75.3 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | trans | -71.9 | 142.7 | -170.8 | -62.2 | -55.4 | 0 | 0 | 0 | 112.1 | F77 E124 | F77-N106 HydrophobicContact CE1-CB 4.21Å; F77-N106 HydrophobicContact CZ-CB 3.97Å; N106-E124 PolarHBondContact ND2-OE2 3.22Å; N106-E124 PolarHBondContact O-N 2.92Å | ||
| 107 | I | 89 | Confident | 88.3 | Confident | 47 Ų | 47 | 71.2 Ų | 71.2 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.1 | 177.5 | -55.1 | 167.8 | 0 | 0 | 0 | 108.5 | K98 F101 V110 V121 L123 | K98-I107 HydrophobicContact CB-CD1 4.38Å; K98-I107 HydrophobicContact CG-CD1 4.4Å; K98-I107 WeakPolarHBondContact O-CD1 3.43Å; F101-I107 HydrophobicContact CB-CD1 3.66Å; F101-I107 HydrophobicContact CB-CG1 4.31Å; I107-V110 HydrophobicContact CG2-CG2 3.49Å; I107-V110 VanDerWaalsContact CG2-CG2 3.49Å; I107-V121 HydrophobicContact CD1-CG2 4.45Å; I107-V121 HydrophobicContact CG1-CG2 4.29Å; I107-V121 HydrophobicContact CG2-CG2 3.59Å; I107-L123 HydrophobicContact CG1-CD2 4.05Å |
| 108 | N | 85.5 | Confident | 88.5 | Confident | 113 Ų | 113 | 73.1 Ų | 73.1 | 60% | 0.604 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -44 | 178.8 | 179.4 | 43.4 | 0 | 0 | 0 | 112.8 | F77 C122 | F77-N108 HydrophobicContact CB-CB 3.95Å; F77-N108 HydrophobicContact CD1-CB 3.21Å; F77-N108 HydrophobicContact CD2-CB 4.16Å; F77-N108 HydrophobicContact CE1-CB 3.63Å; F77-N108 HydrophobicContact CG-CB 3.51Å; F77-N108 HydrophobicContact CZ-CB 4.27Å; N108-C122 PolarHBondContact N-O 2.87Å |
| 109 | E | 82.4 | Confident | 88.6 | Confident | 76 Ų | 76 | 69.2 Ų | 69.2 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.6 | 180 | -167 | -160.2 | 146.6 | 0 | 0 | 110 | R82 V121 C122 | R82-E109 IonicContact CZ-OE1 2.65Å; R82-E109 IonicContact CZ-OE2 3.42Å; R82-E109 IonicContact NE-OE1 3.28Å; R82-E109 IonicContact NE-OE2 3.3Å; R82-E109 PolarHBondContact NE-OE2 2.82Å; R82-E109 IonicContact NH2-OE1 3.23Å; R82-E109 PolarHBondContact NH2-OE1 2.66Å; R82-E109 IonicContact NH2-OE2 2.82Å; E109-V121 CarbonylContact O-C 3.59Å; E109-V121 WeakPolarHBondContact O-CA 3.46Å; E109-C122 HydrophobicContact CB-CB 3.76Å; E109-C122 PolarHBondContact O-N 3.3Å |
| 110 | V | 90.2 | Very high | 88.8 | Confident | 29 Ų | 29 | 65.5 Ų | 65.5 | 18% | 0.176 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.6 | 167.1 | 173.9 | 0 | 0 | 0 | 0 | 108.6 | E94 F97 K98 I107 I112 V121 | E94-V110 HydrophobicContact CG-CB 4.5Å; E94-V110 HydrophobicContact CG-CG1 3.74Å; F97-V110 HydrophobicContact CD1-CG1 3.55Å; F97-V110 HydrophobicContact CD1-CG2 4.49Å; F97-V110 HydrophobicContact CE1-CG1 3.83Å; K98-V110 HydrophobicContact CD-CG2 4.45Å; K98-V110 HydrophobicContact CG-CG2 3.83Å; I107-V110 HydrophobicContact CG2-CG2 3.49Å; I107-V110 VanDerWaalsContact CG2-CG2 3.49Å; V110-I112 HydrophobicContact CG1-CD1 4.27Å; V110-I112 HydrophobicContact CG1-CG1 4.12Å; V110-V121 HydrophobicContact CG2-CG2 4.43Å |
| 111 | F | 91.3 | Very high | 89 | Confident | 100 Ų | 100 | 63.3 Ų | 63.3 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 131.9 | 173.4 | 176 | -90.1 | 0 | 0 | 0 | 109.3 | N113 F118 G119 F120 | F111-N113 HydrophobicContact CE1-CB 4.04Å; F111-F118 HydrophobicContact CE1-CE2 4.43Å; F111-G119 CarbonylContact O-C 3.45Å; F111-G119 WeakPolarHBondContact O-CA 3.44Å; F111-F120 HydrophobicContact CB-CB 4.47Å; F111-F120 AromaticContact CD1-CD2 3.91Å; F111-F120 HydrophobicContact CD1-CD2 3.91Å; F111-F120 PolarHBondContact N-O 2.86Å; F111-F120 PolarHBondContact O-N 3.03Å |
| 112 | I | 91.9 | Very high | 89.1 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 19% | 0.185 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 120.9 | -179.8 | -55.5 | 175 | 0 | 0 | 0 | 109.5 | L88 I92 E94 F97 V110 R114 | L88-I112 HydrophobicContact CD1-CG2 4.34Å; I92-I112 HydrophobicContact CG2-CG2 4.11Å; E94-I112 HydrophobicContact CB-CD1 4.3Å; E94-I112 HydrophobicContact CG-CD1 4.33Å; F97-I112 HydrophobicContact CB-CD1 3.57Å; F97-I112 HydrophobicContact CD1-CD1 3.94Å; F97-I112 HydrophobicContact CD1-CG1 4.19Å; F97-I112 HydrophobicContact CD2-CD1 4.3Å; F97-I112 HydrophobicContact CE1-CG1 4.49Å; F97-I112 HydrophobicContact CG-CD1 3.69Å; F97-I112 HydrophobicContact CG-CG1 4.24Å; V110-I112 HydrophobicContact CG1-CD1 4.27Å; V110-I112 HydrophobicContact CG1-CG1 4.12Å; I112-R114 HydrophobicContact CG2-CG 4.12Å |
| 113 | N | 91.3 | Very high | 89.3 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 95.6 | 168.6 | -173.3 | -40.7 | 0 | 0 | 0 | 109.1 | F111 E115 R116 G117 F118 | F111-N113 HydrophobicContact CE1-CB 4.04Å; N113-E115 PolarHBondContact OD1-N 2.65Å; N113-R116 PolarHBondContact O-N 3.12Å; N113-R116 PolarHBondContact OD1-N 2.79Å; N113-G117 PolarHBondContact O-N 3Å; N113-F118 WeakPolarHBondContact CA-O 3.47Å; N113-F118 HydrophobicContact CB-CD2 4.38Å; N113-F118 HydrophobicContact CB-CE1 4.23Å; N113-F118 HydrophobicContact CB-CE2 4.03Å; N113-F118 HydrophobicContact CB-CZ 3.95Å; N113-F118 PolarHBondContact N-O 3.22Å; N113-F118 PolarHBondContact O-N 2.84Å |
| 114 | R | 87.3 | Confident | 89.4 | Confident | 131 Ų | 131 | 58.1 Ų | 58.1 | 49% | 0.494 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -41.4 | -179.8 | -65.7 | -173.4 | 179.4 | 154.2 | 7.3 | 112.4 | L90 I92 I112 R116 G117 | L90-R114 WeakPolarHBondContact CD2-O 3.36Å; I92-R114 PolarHBondContact O-NE 3.17Å; I92-R114 VanDerWaalsContact O-NE 3.09Å; I92-R114 PolarHBondContact O-NH2 2.8Å; I112-R114 HydrophobicContact CG2-CG 4.12Å; R114-R116 PolarHBondContact O-N 3.39Å; R114-G117 PolarHBondContact O-N 3.25Å |
| 115 | E | 86.8 | Confident | 89.5 | Confident | 176 Ų | 176 | 58.2 Ų | 58.2 | 82% | 0.822 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -36.7 | -178.8 | -58.6 | -176.1 | 162.4 | 0 | 0 | 113 | N113 | N113-E115 PolarHBondContact OD1-N 2.65Š|
| 116 | R | 87.7 | Confident | 89.8 | Confident | 190 Ų | 190 | 60.6 Ų | 60.6 | 72% | 0.717 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 0.8 | -177.8 | -62 | -175.4 | 178.3 | -163.1 | 1.2 | 113.8 | N113 R114 F118 | N113-R116 PolarHBondContact O-N 3.12Å; N113-R116 PolarHBondContact OD1-N 2.79Å; R114-R116 PolarHBondContact O-N 3.39Å; R116-F118 HydrophobicContact CB-CD1 3.53Å; R116-F118 HydrophobicContact CB-CE1 3.44Å; R116-F118 VanDerWaalsContact CB-CE1 3.44Å; R116-F118 HydrophobicContact CG-CE1 4.19Å; R116-F118 PolarHBondContact O-N 2.9Å |
| 117 | G | 89 | Confident | 90 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 9% | 0.093 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S87 L88 N113 R114 | S87-G117 PolarHBondContact N-O 3.3Å; L88-G117 PolarHBondContact N-O 3.24Å; N113-G117 PolarHBondContact O-N 3Å; R114-G117 PolarHBondContact O-N 3.25Å |
| 118 | F | 92.8 | Very high | 90.1 | Very high | 40 Ų | 40 | 54.9 Ų | 54.9 | 18% | 0.175 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 158.9 | 173.9 | 73.8 | -102.1 | 0 | 0 | 0 | 113.1 | F84 V85 F111 N113 R116 F120 | F84-F118 HydrophobicContact CD2-CD2 4.31Å; F84-F118 HydrophobicContact CE2-CB 3.61Å; F84-F118 HydrophobicContact CE2-CD1 4.45Å; F84-F118 AromaticContact CE2-CD2 3.7Å; F84-F118 HydrophobicContact CE2-CD2 3.7Å; F84-F118 AromaticContact CE2-CG 3.68Å; F84-F118 HydrophobicContact CE2-CG 3.68Å; F84-F118 HydrophobicContact CZ-CB 3.8Å; F84-F118 HydrophobicContact CZ-CG 4.23Å; V85-F118 CarbonylContact O-C 3.56Å; V85-F118 WeakPolarHBondContact O-CA 3.47Å; V85-F118 WeakPolarHBondContact O-CB 3.09Å; F111-F118 HydrophobicContact CE1-CE2 4.43Å; N113-F118 WeakPolarHBondContact CA-O 3.47Å; N113-F118 HydrophobicContact CB-CD2 4.38Å; N113-F118 HydrophobicContact CB-CE1 4.23Å; N113-F118 HydrophobicContact CB-CE2 4.03Å; N113-F118 HydrophobicContact CB-CZ 3.95Å; N113-F118 PolarHBondContact N-O 3.22Å; N113-F118 PolarHBondContact O-N 2.84Å; R116-F118 HydrophobicContact CB-CD1 3.53Å; R116-F118 HydrophobicContact CB-CE1 3.44Å; R116-F118 VanDerWaalsContact CB-CE1 3.44Å; R116-F118 HydrophobicContact CG-CE1 4.19Å; R116-F118 PolarHBondContact O-N 2.9Å; F118-F120 HydrophobicContact CD2-CE2 4.27Å; F118-F120 AromaticContact CE2-CE2 3.84Å; F118-F120 HydrophobicContact CE2-CE2 3.84Å; F118-F120 HydrophobicContact CE2-CZ 4.46Å |
| 119 | G | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 174 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V85 F111 | V85-G119 PolarHBondContact N-O 3.41Å; V85-G119 PolarHBondContact O-N 3.25Å; F111-G119 CarbonylContact O-C 3.45Å; F111-G119 WeakPolarHBondContact O-CA 3.44Å |
| 120 | F | 93.6 | Very high | 90.8 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 18% | 0.18 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 144.6 | 168.8 | -63.5 | -79.3 | 0 | 0 | 0 | 109.7 | L83 F84 F111 F118 A151 | L83-F120 VanDerWaalsContact O-CA 3.25Å; L83-F120 WeakPolarHBondContact O-CA 3.39Å; F84-F120 HydrophobicContact CB-CD1 4.11Å; F84-F120 HydrophobicContact CB-CE1 3.9Å; F84-F120 HydrophobicContact CD2-CD1 4.26Å; F84-F120 AromaticContact CD2-CE1 3.65Å; F84-F120 HydrophobicContact CD2-CE1 3.65Å; F84-F120 AromaticContact CD2-CZ 3.89Å; F84-F120 HydrophobicContact CD2-CZ 3.89Å; F84-F120 HydrophobicContact CG-CE1 4.26Å; F111-F120 HydrophobicContact CB-CB 4.47Å; F111-F120 AromaticContact CD1-CD2 3.91Å; F111-F120 HydrophobicContact CD1-CD2 3.91Å; F111-F120 PolarHBondContact N-O 2.86Å; F111-F120 PolarHBondContact O-N 3.03Å; F118-F120 HydrophobicContact CD2-CE2 4.27Å; F118-F120 AromaticContact CE2-CE2 3.84Å; F118-F120 HydrophobicContact CE2-CE2 3.84Å; F118-F120 HydrophobicContact CE2-CZ 4.46Å; F120-A151 HydrophobicContact CD1-CB 3.87Å; F120-A151 HydrophobicContact CE1-CB 3.89Å |
| 121 | V | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.5 | 172.7 | 61.5 | 0 | 0 | 0 | 0 | 109.1 | R82 L83 V85 F97 F101 I107 E109 V110 | R82-V121 CarbonylContact C-O 3.54Å; R82-V121 VanDerWaalsContact CA-O 3.28Å; R82-V121 WeakPolarHBondContact CA-O 3.37Å; L83-V121 HydrophobicContact CB-CG1 3.85Å; L83-V121 HydrophobicContact CD1-CG1 4.45Å; L83-V121 PolarHBondContact N-O 3.25Å; L83-V121 PolarHBondContact O-N 3.45Å; V85-V121 HydrophobicContact CG2-CG1 4.41Å; F97-V121 HydrophobicContact CE1-CB 3.89Å; F97-V121 HydrophobicContact CZ-CB 4.22Å; F101-V121 HydrophobicContact CB-CG2 4.26Å; F101-V121 HydrophobicContact CD1-CG1 3.85Å; F101-V121 HydrophobicContact CD1-CG2 4.49Å; F101-V121 HydrophobicContact CD2-CG1 4.17Å; F101-V121 HydrophobicContact CD2-CG2 4.41Å; F101-V121 HydrophobicContact CE1-CG1 3.71Å; F101-V121 HydrophobicContact CE2-CG1 4.07Å; F101-V121 HydrophobicContact CG-CG1 4.08Å; F101-V121 HydrophobicContact CG-CG2 4.13Å; F101-V121 HydrophobicContact CZ-CG1 3.86Å; I107-V121 HydrophobicContact CD1-CG2 4.45Å; I107-V121 HydrophobicContact CG1-CG2 4.29Å; I107-V121 HydrophobicContact CG2-CG2 3.59Å; E109-V121 CarbonylContact O-C 3.59Å; E109-V121 WeakPolarHBondContact O-CA 3.46Å; V110-V121 HydrophobicContact CG2-CG2 4.43Å |
| 122 | C | 92.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 113.6 | 174 | -168.7 | 0 | 0 | 0 | 0 | 110.5 | F77 R82 N108 E109 | F77-C122 PolarHBondContact O-SG 3.06Å; R82-C122 HydrophobicContact CG-CB 4.36Å; N108-C122 PolarHBondContact N-O 2.87Å; E109-C122 HydrophobicContact CB-CB 3.76Å; E109-C122 PolarHBondContact O-N 3.3Å |
| 123 | L | 92.3 | Very high | 91 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 165.7 | 178.9 | -68.1 | 166.8 | 0 | 0 | 0 | 111.3 | F77 S81 L83 F101 I107 A129 A132 | F77-L123 WeakPolarHBondContact CD1-O 3.42Å; S81-L123 WeakPolarHBondContact CB-O 3.19Å; S81-L123 PolarHBondContact O-N 3.03Å; S81-L123 VanDerWaalsContact O-N 3.08Å; S81-L123 PolarHBondContact OG-O 3.11Å; L83-L123 HydrophobicContact CD1-CD1 3.94Å; F101-L123 HydrophobicContact CD1-CD1 4.38Å; I107-L123 HydrophobicContact CG1-CD2 4.05Å; L123-A129 HydrophobicContact CD1-CB 4.09Å; L123-A132 HydrophobicContact CD1-CB 3.73Å |
| 124 | E | 89.9 | Confident | 90.9 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 28% | 0.276 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -63 | -45.1 | -173.7 | -170.2 | 169.5 | 167.1 | 0 | 0 | 114.3 | T76 F77 N106 L128 | T76-E124 CarbonylContact C-O 3.45Å; T76-E124 WeakPolarHBondContact CA-O 3.32Å; T76-E124 WeakPolarHBondContact CB-O 3.32Å; T76-E124 HydrophobicContact CG2-CG 3.72Å; F77-E124 HydrophobicContact CD1-CB 4.35Å; F77-E124 HydrophobicContact CE1-CB 3.7Å; F77-E124 HydrophobicContact CE1-CG 4.15Å; F77-E124 HydrophobicContact CE2-CG 4.16Å; F77-E124 HydrophobicContact CZ-CB 3.84Å; F77-E124 HydrophobicContact CZ-CG 3.79Å; F77-E124 PolarHBondContact N-O 2.92Å; N106-E124 PolarHBondContact ND2-OE2 3.22Å; N106-E124 PolarHBondContact O-N 2.92Å; E124-L128 HydrophobicContact CB-CD1 4.25Å |
| 125 | T | 89.8 | Confident | 91.1 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -129.1 | 160.9 | -179.5 | 67.6 | 0 | 0 | 0 | 0 | 111.9 | S81 T127 L128 A129 | S81-T125 VanDerWaalsContact CB-C 3.4Å; S81-T125 VanDerWaalsContact CB-O 3.26Å; S81-T125 WeakPolarHBondContact CB-O 3.43Å; T125-T127 VanDerWaalsContact C-N 3.28Å; T125-T127 PolarHBondContact O-N 3.37Å; T125-T127 PolarHBondContact OG1-OG1 3.31Å; T125-L128 PolarHBondContact O-N 3.44Å; T125-L128 WeakPolarHBondContact OG1-CG 3.42Å; T125-L128 PolarHBondContact OG1-N 3.19Å; T125-L128 VanDerWaalsContact OG1-N 3.17Å; T125-A129 PolarHBondContact O-N 3.12Å |
| 126 | R | 90 | Very high | 91.4 | Very high | 72 Ų | 72 | 40.9 Ų | 40.9 | 27% | 0.272 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.7 | -36.3 | 173.8 | -172.9 | 179.4 | -174.7 | -119.8 | 6.6 | 111.7 | E74 L128 A129 E130 | E74-R126 PolarHBondContact OE1-N 3.43Å; R126-L128 VanDerWaalsContact C-N 3.35Å; R126-L128 PolarHBondContact O-N 3.45Å; R126-A129 CarbonylContact O-C 3.37Å; R126-A129 WeakPolarHBondContact O-CB 3.4Å; R126-A129 PolarHBondContact O-N 3.04Å; R126-A129 VanDerWaalsContact O-N 3.15Å; R126-E130 HydrophobicContact CG-CG 4.34Å; R126-E130 WeakPolarHBondContact CG-OE1 3.39Å; R126-E130 IonicContact CZ-OE1 3.86Å; R126-E130 IonicContact NE-OE1 3.11Å; R126-E130 PolarHBondContact NE-OE1 2.89Å; R126-E130 IonicContact NH1-OE1 2.66Å; R126-E130 PolarHBondContact NH1-OE1 2.91Å; R126-E130 IonicContact NH2-OE1 3.17Å; R126-E130 WeakPolarHBondContact O-CG 3.35Å; R126-E130 PolarHBondContact O-N 3.42Å |
| 127 | T | 90 | Very high | 91.5 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 14% | 0.135 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.1 | -40.4 | 178.5 | 43 | 0 | 0 | 0 | 0 | 112.4 | F69 T125 E130 I131 | F69-T127 HydrophobicContact CB-CG2 4.5Å; F69-T127 PolarHBondContact O-OG1 3.04Å; T125-T127 VanDerWaalsContact C-N 3.28Å; T125-T127 PolarHBondContact O-N 3.37Å; T125-T127 PolarHBondContact OG1-OG1 3.31Å; T127-E130 PolarHBondContact O-N 2.8Å; T127-I131 WeakPolarHBondContact O-CG1 3.48Å; T127-I131 PolarHBondContact O-N 2.59Å; T127-I131 VanDerWaalsContact O-N 3.1Å |
| 128 | L | 90.9 | Very high | 91.4 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.9 | -36.6 | 173.9 | -70.8 | 166.2 | 0 | 0 | 0 | 112.3 | I66 Y104 E124 T125 R126 I131 A132 | I66-L128 HydrophobicContact CG1-CD2 4.47Å; I66-L128 HydrophobicContact CG2-CD1 3.9Å; I66-L128 HydrophobicContact CG2-CD2 3.7Å; I66-L128 HydrophobicContact CG2-CG 4.3Å; Y104-L128 WeakPolarHBondContact O-CB 3.45Å; Y104-L128 WeakPolarHBondContact O-CD1 3.24Å; Y104-L128 WeakPolarHBondContact O-CD2 3.1Å; E124-L128 HydrophobicContact CB-CD1 4.25Å; T125-L128 PolarHBondContact O-N 3.44Å; T125-L128 WeakPolarHBondContact OG1-CG 3.42Å; T125-L128 PolarHBondContact OG1-N 3.19Å; T125-L128 VanDerWaalsContact OG1-N 3.17Å; R126-L128 VanDerWaalsContact C-N 3.35Å; R126-L128 PolarHBondContact O-N 3.45Å; L128-I131 PolarHBondContact O-N 2.7Å; L128-A132 VanDerWaalsContact O-CB 3.28Å; L128-A132 WeakPolarHBondContact O-CB 3.25Å; L128-A132 PolarHBondContact O-N 2.94Å |
| 129 | A | 91.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.9 | -34 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L83 L123 T125 R126 K133 F150 | L83-A129 HydrophobicContact CD1-CB 4.25Å; L83-A129 HydrophobicContact CD2-CB 4.07Å; L83-A129 HydrophobicContact CG-CB 4.04Å; L123-A129 HydrophobicContact CD1-CB 4.09Å; T125-A129 PolarHBondContact O-N 3.12Å; R126-A129 CarbonylContact O-C 3.37Å; R126-A129 WeakPolarHBondContact O-CB 3.4Å; R126-A129 PolarHBondContact O-N 3.04Å; R126-A129 VanDerWaalsContact O-N 3.15Å; A129-K133 WeakPolarHBondContact O-CB 3.45Å; A129-K133 PolarHBondContact O-N 3.41Å; A129-F150 HydrophobicContact CB-CE1 3.93Å |
| 130 | E | 91.3 | Very high | 91.2 | Very high | 63 Ų | 63 | 41.7 Ų | 41.7 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.5 | -46.5 | 172.5 | -72.2 | 165.8 | -178.4 | 0 | 0 | 110.9 | R126 T127 K133 V134 F150 | R126-E130 HydrophobicContact CG-CG 4.34Å; R126-E130 WeakPolarHBondContact CG-OE1 3.39Å; R126-E130 IonicContact CZ-OE1 3.86Å; R126-E130 IonicContact NE-OE1 3.11Å; R126-E130 PolarHBondContact NE-OE1 2.89Å; R126-E130 IonicContact NH1-OE1 2.66Å; R126-E130 PolarHBondContact NH1-OE1 2.91Å; R126-E130 IonicContact NH2-OE1 3.17Å; R126-E130 WeakPolarHBondContact O-CG 3.35Å; R126-E130 PolarHBondContact O-N 3.42Å; T127-E130 PolarHBondContact O-N 2.8Å; E130-K133 PolarHBondContact O-N 3.21Å; E130-V134 WeakPolarHBondContact O-CG2 3.42Å; E130-V134 PolarHBondContact O-N 3.39Å; E130-F150 HydrophobicContact CB-CZ 4.45Å; E130-F150 HydrophobicContact CG-CE2 4.37Å; E130-F150 HydrophobicContact CG-CZ 3.64Å |
| 131 | I | 91.7 | Very high | 90.8 | Very high | 77 Ų | 77 | 41 Ų | 41 | 40% | 0.395 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.5 | -48.9 | 175.4 | -63.3 | 163.4 | 0 | 0 | 0 | 110.8 | Y104 T127 L128 K133 V134 E135 | Y104-I131 HydrophobicContact CD1-CG2 4.02Å; Y104-I131 HydrophobicContact CE1-CG2 4.13Å; T127-I131 WeakPolarHBondContact O-CG1 3.48Å; T127-I131 PolarHBondContact O-N 2.59Å; T127-I131 VanDerWaalsContact O-N 3.1Å; L128-I131 PolarHBondContact O-N 2.7Å; I131-K133 VanDerWaalsContact C-N 3.33Å; I131-K133 PolarHBondContact O-N 3.43Å; I131-V134 PolarHBondContact O-N 2.92Å; I131-E135 PolarHBondContact O-N 2.81Å |
| 132 | A | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.2 | -35.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L83 F101 Y104 L123 L128 L136 | L83-A132 HydrophobicContact CD1-CB 3.88Å; F101-A132 HydrophobicContact CD1-CB 4.27Å; F101-A132 HydrophobicContact CE1-CB 4.26Å; Y104-A132 HydrophobicContact CD1-CB 4.15Å; Y104-A132 HydrophobicContact CD2-CB 3.47Å; Y104-A132 VanDerWaalsContact CD2-CB 3.47Å; Y104-A132 HydrophobicContact CE1-CB 4.47Å; Y104-A132 HydrophobicContact CE2-CB 3.84Å; Y104-A132 HydrophobicContact CG-CB 3.63Å; L123-A132 HydrophobicContact CD1-CB 3.73Å; L128-A132 VanDerWaalsContact O-CB 3.28Å; L128-A132 WeakPolarHBondContact O-CB 3.25Å; L128-A132 PolarHBondContact O-N 2.94Å; A132-L136 VanDerWaalsContact O-CB 3.32Å; A132-L136 WeakPolarHBondContact O-CB 3.42Å; A132-L136 PolarHBondContact O-N 2.98Å; A132-L136 VanDerWaalsContact O-N 3.12Å |
| 133 | K | 92.4 | Very high | 89.9 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 11% | 0.109 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.5 | -56.3 | 170.8 | 176.8 | -170.1 | 169.2 | -178.6 | 0 | 109.9 | L83 A129 E130 I131 E135 D137 V148 F150 E240 D241 | L83-K133 HydrophobicContact CD2-CB 4.31Å; A129-K133 WeakPolarHBondContact O-CB 3.45Å; A129-K133 PolarHBondContact O-N 3.41Å; E130-K133 PolarHBondContact O-N 3.21Å; I131-K133 VanDerWaalsContact C-N 3.33Å; I131-K133 PolarHBondContact O-N 3.43Å; K133-E135 PolarHBondContact O-N 2.93Å; K133-D137 VanDerWaalsContact O-CB 3.24Å; K133-D137 WeakPolarHBondContact O-CB 3.49Å; K133-D137 PolarHBondContact O-N 2.77Å; K133-V148 HydrophobicContact CB-CG1 4.44Å; K133-F150 HydrophobicContact CD-CD2 4.1Å; K133-F150 HydrophobicContact CD-CE2 3.73Å; K133-E240 IonicContact NZ-OE2 2.65Å; K133-E240 PolarHBondContact NZ-OE2 3.03Å; K133-D241 IonicContact NZ-OD1 2.98Å |
| 134 | V | 91.2 | Very high | 89.6 | Confident | 120 Ų | 120 | 57.7 Ų | 57.7 | 73% | 0.727 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.3 | -37.3 | -171.9 | 173.7 | 0 | 0 | 0 | 0 | 112.5 | E130 I131 | E130-V134 WeakPolarHBondContact O-CG2 3.42Å; E130-V134 PolarHBondContact O-N 3.39Å; I131-V134 PolarHBondContact O-N 2.92Å |
| 135 | E | 91.3 | Very high | 89.6 | Confident | 110 Ų | 110 | 57.2 Ų | 57.2 | 51% | 0.514 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -86 | -25.6 | -176.8 | -172.1 | -177.4 | 146.9 | 0 | 0 | 113.8 | K103 Y104 I131 K133 | K103-E135 IonicContact NZ-OE1 2.84Å; K103-E135 PolarHBondContact NZ-OE1 3.38Å; Y104-E135 HydrophobicContact CE1-CB 4.3Å; Y104-E135 WeakPolarHBondContact CE1-OE2 3.49Å; Y104-E135 WeakPolarHBondContact OH-CB 3.3Å; Y104-E135 VanDerWaalsContact OH-CG 3.3Å; Y104-E135 WeakPolarHBondContact OH-CG 3.35Å; Y104-E135 PolarHBondContact OH-OE1 3.48Å; I131-E135 PolarHBondContact O-N 2.81Å; K133-E135 PolarHBondContact O-N 2.93Å |
| 136 | L | 91.5 | Very high | 89.7 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -100.2 | -20.3 | 178.5 | -64.7 | -176.6 | 0 | 0 | 0 | 115.1 | F101 Y104 A132 G138 S139 V148 | F101-L136 HydrophobicContact CD1-CD1 3.86Å; F101-L136 HydrophobicContact CD2-CD1 4.37Å; F101-L136 HydrophobicContact CE1-CD1 3.4Å; F101-L136 VanDerWaalsContact CE1-CD1 3.4Å; F101-L136 HydrophobicContact CE2-CD1 3.96Å; F101-L136 HydrophobicContact CG-CD1 4.32Å; F101-L136 HydrophobicContact CZ-CD1 3.43Å; F101-L136 VanDerWaalsContact CZ-CD1 3.43Å; Y104-L136 HydrophobicContact CE2-CD1 3.68Å; Y104-L136 HydrophobicContact CE2-CD2 4.28Å; Y104-L136 HydrophobicContact CE2-CG 3.79Å; Y104-L136 WeakPolarHBondContact OH-CG 3.46Å; A132-L136 VanDerWaalsContact O-CB 3.32Å; A132-L136 WeakPolarHBondContact O-CB 3.42Å; A132-L136 PolarHBondContact O-N 2.98Å; A132-L136 VanDerWaalsContact O-N 3.12Å; L136-G138 PolarHBondContact O-N 2.95Å; L136-S139 VanDerWaalsContact O-CB 3.31Å; L136-S139 WeakPolarHBondContact O-CB 3.47Å; L136-S139 PolarHBondContact O-N 3.35Å; L136-S139 VanDerWaalsContact O-N 3.12Å; L136-S139 PolarHBondContact O-OG 3.47Å; L136-V148 HydrophobicContact CB-CG2 3.83Å |
| 137 | D | 91.3 | Very high | 89.7 | Confident | 70 Ų | 70 | 59 Ų | 59 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 132.2 | 176.6 | -169.1 | 50.3 | 0 | 0 | 0 | 111.1 | K133 S139 K147 V148 | K133-D137 VanDerWaalsContact O-CB 3.24Å; K133-D137 WeakPolarHBondContact O-CB 3.49Å; K133-D137 PolarHBondContact O-N 2.77Å; D137-S139 PolarHBondContact O-N 3.03Å; D137-K147 VanDerWaalsContact OD1-CA 3.26Å; D137-K147 WeakPolarHBondContact OD1-CA 3.35Å; D137-V148 HydrophobicContact CB-CB 4.13Å; D137-V148 PolarHBondContact OD1-N 2.93Å |
| 138 | G | 87.3 | Confident | 89.8 | Confident | 42 Ų | 42 | 58 Ų | 58 | 43% | 0.433 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | -7.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L136 L146 | L136-G138 PolarHBondContact O-N 2.95Å; G138-L146 WeakPolarHBondContact CA-O 3.33Å; G138-L146 PolarHBondContact N-O 2.95Å |
| 139 | S | 90.8 | Very high | 89.9 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 27% | 0.266 | 33% | 0.33 | S | S | . | . | trans | -60.9 | 140.5 | 176.4 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | L136 D137 A145 L146 | L136-S139 VanDerWaalsContact O-CB 3.31Å; L136-S139 WeakPolarHBondContact O-CB 3.47Å; L136-S139 PolarHBondContact O-N 3.35Å; L136-S139 VanDerWaalsContact O-N 3.12Å; L136-S139 PolarHBondContact O-OG 3.47Å; D137-S139 PolarHBondContact O-N 3.03Å; S139-A145 CarbonylContact O-C 3.39Å; S139-A145 WeakPolarHBondContact O-CA 3.28Å; S139-L146 PolarHBondContact O-N 2.96Å | ||
| 140 | V | 89.4 | Confident | 89.9 | Confident | 106 Ų | 106 | 64 Ų | 64 | 64% | 0.642 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 119.7 | -173.9 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | R144 | V140-R144 WeakPolarHBondContact CA-O 3.4Å |
| 141 | L | 85.6 | Confident | 89.9 | Confident | 26 Ų | 26 | 61.6 Ų | 61.6 | 14% | 0.136 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.9 | 175.2 | -162.7 | 156.5 | 0 | 0 | 0 | 109.1 | P89 I92 L100 N143 R144 L146 | P89-L141 HydrophobicContact CG-CD2 3.61Å; I92-L141 HydrophobicContact CD1-CD1 4.36Å; I92-L141 HydrophobicContact CD1-CD2 4.04Å; L100-L141 HydrophobicContact CD1-CD1 3.42Å; L100-L141 VanDerWaalsContact CD1-CD1 3.42Å; L100-L141 HydrophobicContact CD2-CD1 3.85Å; L100-L141 HydrophobicContact CG-CD1 4.21Å; L141-N143 VanDerWaalsContact C-N 3.29Å; L141-N143 PolarHBondContact O-N 2.84Å; L141-R144 PolarHBondContact N-O 2.89Å; L141-R144 PolarHBondContact O-N 2.98Å; L141-L146 HydrophobicContact CB-CD1 4.27Å; L141-L146 HydrophobicContact CB-CD2 4.14Å; L141-L146 HydrophobicContact CB-CG 4.15Å; L141-L146 HydrophobicContact CD1-CD1 4.23Å |
| 142 | N | 82.9 | Confident | 89.8 | Confident | 92 Ų | 92 | 62.5 Ų | 62.5 | 49% | 0.492 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 49.8 | -175.4 | -60.9 | 1.2 | 0 | 0 | 0 | 112.9 | P89 D91 R144 | P89-N142 HydrophobicContact CB-CB 4.05Å; P89-N142 HydrophobicContact CG-CB 4.09Å; D91-N142 PolarHBondContact OD1-ND2 3.46Å; D91-N142 PolarHBondContact OD2-ND2 3.22Å; N142-R144 PolarHBondContact O-N 3.28Å |
| 143 | N | 84.6 | Confident | 89.6 | Confident | 161 Ų | 161 | 64 Ų | 64 | 86% | 0.861 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 18.4 | -176.4 | -62.5 | -24.2 | 0 | 0 | 0 | 115.8 | L141 | L141-N143 VanDerWaalsContact C-N 3.29Å; L141-N143 PolarHBondContact O-N 2.84Å |
| 144 | R | 86.9 | Confident | 89.4 | Confident | 101 Ų | 101 | 65 Ų | 65 | 38% | 0.381 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.4 | 171.5 | -61.9 | -175.9 | 178 | -167.5 | -4.3 | 110.3 | S87 L88 V140 L141 N142 L146 | S87-R144 WeakPolarHBondContact O-CB 3.33Å; L88-R144 PolarHBondContact O-NH1 2.73Å; V140-R144 WeakPolarHBondContact CA-O 3.4Å; L141-R144 PolarHBondContact N-O 2.89Å; L141-R144 PolarHBondContact O-N 2.98Å; N142-R144 PolarHBondContact O-N 3.28Å; R144-L146 PolarHBondContact O-N 3.09Å |
| 145 | A | 88.9 | Confident | 89.5 | Confident | 50 Ų | 50 | 59.3 Ų | 59.3 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 119.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | S87 S139 | S87-A145 VanDerWaalsContact CB-O 3.31Å; S87-A145 WeakPolarHBondContact CB-O 3.42Å; S87-A145 PolarHBondContact OG-O 3.03Å; S139-A145 CarbonylContact O-C 3.39Å; S139-A145 WeakPolarHBondContact O-CA 3.28Å |
| 146 | L | 91.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | trans | -63.8 | 148.6 | 173.9 | -61.7 | -173.8 | 0 | 0 | 0 | 110.2 | L88 G138 S139 L141 R144 V148 | L88-L146 HydrophobicContact CD2-CD2 3.83Å; G138-L146 WeakPolarHBondContact CA-O 3.33Å; G138-L146 PolarHBondContact N-O 2.95Å; S139-L146 PolarHBondContact O-N 2.96Å; L141-L146 HydrophobicContact CB-CD1 4.27Å; L141-L146 HydrophobicContact CB-CD2 4.14Å; L141-L146 HydrophobicContact CB-CG 4.15Å; L141-L146 HydrophobicContact CD1-CD1 4.23Å; R144-L146 PolarHBondContact O-N 3.09Å; L146-V148 HydrophobicContact CB-CG2 4.5Å | ||
| 147 | K | 90 | Very high | 89.9 | Confident | 119 Ų | 119 | 54.6 Ų | 54.6 | 52% | 0.517 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 101.9 | 173.6 | -68.5 | -173.6 | 178.7 | -178.3 | 0 | 109.5 | V85 G86 D137 | V85-K147 CarbonylContact C-O 3.58Å; V85-K147 WeakPolarHBondContact CA-O 3.39Å; G86-K147 PolarHBondContact N-O 3.48Å; G86-K147 PolarHBondContact O-N 2.96Å; D137-K147 VanDerWaalsContact OD1-CA 3.26Å; D137-K147 WeakPolarHBondContact OD1-CA 3.35Å |
| 148 | V | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118.1 | -176.9 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | L83 F84 V85 K133 L136 D137 L146 | L83-V148 HydrophobicContact CB-CG1 4.27Å; L83-V148 HydrophobicContact CD1-CG1 3.96Å; L83-V148 HydrophobicContact CD2-CG1 4.42Å; L83-V148 HydrophobicContact CG-CG1 4.46Å; F84-V148 WeakPolarHBondContact O-CA 3.36Å; V85-V148 HydrophobicContact CG1-CG2 4.27Å; V85-V148 HydrophobicContact CG2-CG2 4.45Å; K133-V148 HydrophobicContact CB-CG1 4.44Å; L136-V148 HydrophobicContact CB-CG2 3.83Å; D137-V148 HydrophobicContact CB-CB 4.13Å; D137-V148 PolarHBondContact OD1-N 2.93Å; L146-V148 HydrophobicContact CB-CG2 4.5Å |
| 149 | R | 92 | Very high | 90.6 | Very high | 86 Ų | 86 | 53.2 Ų | 53.2 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 164.5 | -180 | -68.5 | -176.9 | 168.4 | -151.5 | -3.8 | 109.9 | L83 F84 D238 D241 | L83-R149 CarbonylContact C-O 3.58Å; L83-R149 WeakPolarHBondContact CA-O 3.28Å; F84-R149 PolarHBondContact N-O 3.02Å; F84-R149 PolarHBondContact O-N 3.04Å; R149-D238 IonicContact CZ-OD2 3.81Å; R149-D238 IonicContact NH1-OD2 2.74Å; R149-D238 PolarHBondContact NH1-OD2 2.65Å; R149-D238 IonicContact NH2-OD2 3.26Å; R149-D241 IonicContact CZ-OD2 3.97Å; R149-D241 IonicContact NE-OD2 2.66Å; R149-D241 PolarHBondContact NE-OD2 2.8Å; R149-D241 VanDerWaalsContact NH2-CG 3.34Å; R149-D241 IonicContact NH2-OD2 3.03Å; R149-D241 PolarHBondContact NH2-OD2 2.81Å |
| 150 | F | 91.9 | Very high | 90.8 | Very high | 49 Ų | 49 | 55.6 Ų | 55.6 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 139.7 | 164.4 | -73.9 | -73.9 | 0 | 0 | 0 | 110.2 | L83 A129 E130 K133 | L83-F150 HydrophobicContact CD2-CD1 3.83Å; L83-F150 HydrophobicContact CD2-CE1 3.84Å; L83-F150 HydrophobicContact CD2-CG 4.37Å; L83-F150 HydrophobicContact CD2-CZ 4.38Å; A129-F150 HydrophobicContact CB-CE1 3.93Å; E130-F150 HydrophobicContact CB-CZ 4.45Å; E130-F150 HydrophobicContact CG-CE2 4.37Å; E130-F150 HydrophobicContact CG-CZ 3.64Å; K133-F150 HydrophobicContact CD-CD2 4.1Å; K133-F150 HydrophobicContact CD-CE2 3.73Å |
| 151 | A | 91.1 | Very high | 91 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -69 | 141.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | R82 F120 H153 | R82-A151 HydrophobicContact CB-CB 4.06Å; R82-A151 HydrophobicContact CG-CB 3.98Å; R82-A151 WeakPolarHBondContact O-CB 3.06Å; R82-A151 PolarHBondContact O-N 2.82Å; F120-A151 HydrophobicContact CD1-CB 3.87Å; F120-A151 HydrophobicContact CE1-CB 3.89Å; A151-H153 PolarHBondContact O-N 3.41Å |
| 152 | T | 89.1 | Confident | 91.5 | Very high | 97 Ų | 97 | 51.1 Ų | 51.1 | 60% | 0.595 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 126.2 | 178.5 | 59 | 0 | 0 | 0 | 0 | 110.1 | G154 H236 | T152-G154 PolarHBondContact O-N 3.17Å; T152-H236 VanDerWaalsContact CG2-CD2 3.47Å; T152-H236 WeakPolarHBondContact CG2-CD2 3.24Å |
| 153 | H | 89.2 | Confident | 92 | Very high | 32 Ų | 32 | 48 Ų | 48 | 15% | 0.148 | 25% | 0.247 | C | C | . | . | trans | -77.1 | 83 | -174.5 | -168.6 | -61.7 | 0 | 0 | 0 | 111.3 | Q79 A151 A155 A156 E182 | Q79-H153 WeakPolarHBondContact CB-CD2 3.24Å; A151-H153 PolarHBondContact O-N 3.41Å; H153-A155 VanDerWaalsContact CE1-C 3.45Å; H153-A155 VanDerWaalsContact ND1-C 3.34Å; H153-A155 PolarHBondContact ND1-N 2.82Å; H153-A155 PolarHBondContact O-N 3.45Å; H153-A156 HydrophobicContact CB-CB 4.29Å; H153-A156 WeakPolarHBondContact ND1-CB 3.17Å; H153-A156 PolarHBondContact ND1-N 3.1Å; H153-A156 PolarHBondContact O-N 3.34Å; H153-E182 IonicContact NE2-OE2 3.57Å | ||
| 154 | G | 87.3 | Confident | 92.4 | Very high | 44 Ų | 44 | 45.5 Ų | 45.5 | 45% | 0.454 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 4.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | T152 K205 | T152-G154 PolarHBondContact O-N 3.17Å; G154-K205 WeakPolarHBondContact O-CD 3.46Å |
| 155 | A | 94.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | 24.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | H153 F202 K205 A208 | H153-A155 VanDerWaalsContact CE1-C 3.45Å; H153-A155 VanDerWaalsContact ND1-C 3.34Å; H153-A155 PolarHBondContact ND1-N 2.82Å; H153-A155 PolarHBondContact O-N 3.45Å; A155-F202 HydrophobicContact CB-CB 4.24Å; A155-F202 VanDerWaalsContact CB-O 3.23Å; A155-F202 WeakPolarHBondContact CB-O 3.33Å; A155-F202 PolarHBondContact O-N 2.82Å; A155-K205 HydrophobicContact CB-CB 4.3Å; A155-A208 HydrophobicContact CB-CB 4.03Å |
| 156 | A | 95 | Very high | 93.1 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 137.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | H153 E201 M234 | H153-A156 HydrophobicContact CB-CB 4.29Å; H153-A156 WeakPolarHBondContact ND1-CB 3.17Å; H153-A156 PolarHBondContact ND1-N 3.1Å; H153-A156 PolarHBondContact O-N 3.34Å; A156-E201 HydrophobicContact CB-CG 4.16Å; A156-M234 HydrophobicContact CB-CB 3.78Å; A156-M234 HydrophobicContact CB-CG 4.38Å; A156-M234 HydrophobicContact CB-SD 3.9Å; A156-M234 WeakPolarHBondContact O-CB 3.35Å; A156-M234 PolarHBondContact O-N 2.83Å |
| 157 | L | 96.2 | Very high | 93.4 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144.1 | 176.8 | -57.6 | 179.4 | 0 | 0 | 0 | 110.2 | I199 V200 F202 A208 A211 V231 E232 | L157-I199 WeakPolarHBondContact O-CA 3.49Å; L157-V200 PolarHBondContact N-O 3.08Å; L157-V200 PolarHBondContact O-N 2.72Å; L157-F202 HydrophobicContact CD1-CD2 4.22Å; L157-F202 HydrophobicContact CD1-CE2 3.83Å; L157-A208 HydrophobicContact CD1-CB 4.33Å; L157-A208 WeakPolarHBondContact CD1-O 3.46Å; L157-A208 HydrophobicContact CD2-CB 4.39Å; L157-A208 HydrophobicContact CG-CB 4.29Å; L157-A211 HydrophobicContact CD1-CB 3.92Å; L157-V231 HydrophobicContact CB-CG1 4.03Å; L157-V231 HydrophobicContact CD1-CG1 3.66Å; L157-V231 HydrophobicContact CG-CG1 4.3Å; L157-E232 CarbonylContact C-O 3.58Å; L157-E232 WeakPolarHBondContact CA-O 3.4Å |
| 158 | K | 96.6 | Very high | 93.7 | Very high | 83 Ų | 83 | 43.9 Ų | 43.9 | 36% | 0.361 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124 | 172.2 | 178.7 | -172.8 | 178.3 | -165.8 | 0 | 107.8 | R160 E232 | K158-R160 HydrophobicContact CG-CG 4.48Å; K158-E232 HydrophobicContact CB-CB 4.43Å; K158-E232 PolarHBondContact N-O 3.44Å; K158-E232 IonicContact NZ-OE2 3.85Å; K158-E232 PolarHBondContact O-N 3.35Å |
| 159 | V | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.4 | 176.5 | -168.5 | 0 | 0 | 0 | 0 | 108.5 | L162 F175 R197 G198 V200 T229 I230 | V159-L162 HydrophobicContact CG1-CD2 3.64Å; V159-L162 HydrophobicContact CG1-CG 4.16Å; V159-F175 HydrophobicContact CG1-CZ 4.22Å; V159-F175 HydrophobicContact CG2-CE1 4.14Å; V159-F175 HydrophobicContact CG2-CE2 4.23Å; V159-F175 HydrophobicContact CG2-CZ 3.7Å; V159-R197 CarbonylContact O-C 3.55Å; V159-R197 VanDerWaalsContact O-CA 3.28Å; V159-R197 WeakPolarHBondContact O-CA 3.25Å; V159-G198 PolarHBondContact N-O 3.28Å; V159-G198 PolarHBondContact O-N 3.43Å; V159-V200 HydrophobicContact CG2-CB 4.49Å; V159-V200 HydrophobicContact CG2-CG2 3.76Å; V159-T229 HydrophobicContact CG1-CG2 4.49Å; V159-I230 CarbonylContact C-O 3.57Å; V159-I230 WeakPolarHBondContact CA-O 3.15Å |
| 160 | R | 95.5 | Very high | 94 | Very high | 88 Ų | 88 | 48.3 Ų | 48.3 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 167.3 | 175.5 | -58.2 | -164.9 | -70.8 | 107 | -4.3 | 109.8 | K158 L162 G196 I230 E232 | K158-R160 HydrophobicContact CG-CG 4.48Å; R160-L162 VanDerWaalsContact C-N 3.33Å; R160-G196 CarbonylContact C-O 3.43Å; R160-I230 HydrophobicContact CB-CB 4.26Å; R160-I230 PolarHBondContact N-O 2.91Å; R160-I230 PolarHBondContact O-N 3.09Å; R160-E232 WeakPolarHBondContact CD-OE2 3.38Å; R160-E232 IonicContact CZ-OE1 2.69Å; R160-E232 VanDerWaalsContact CZ-OE1 3.25Å; R160-E232 IonicContact CZ-OE2 2.78Å; R160-E232 IonicContact NE-OE1 2.69Å; R160-E232 PolarHBondContact NE-OE1 2.69Å; R160-E232 IonicContact NE-OE2 3.33Å; R160-E232 PolarHBondContact NE-OE2 2.78Å; R160-E232 IonicContact NH2-OE1 3.81Å; R160-E232 PolarHBondContact NH2-OE1 2.93Å; R160-E232 IonicContact NH2-OE2 3.04Å |
| 161 | N | 94 | Very high | 94.3 | Very high | 29 Ų | 29 | 46 Ų | 46 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 65.6 | 32.7 | 179.4 | -159.7 | 40.9 | 0 | 0 | 0 | 113.8 | G196 C227 P228 I230 R300 | N161-G196 PolarHBondContact N-O 3.2Å; N161-C227 PolarHBondContact ND2-SG 3.32Å; N161-P228 PolarHBondContact ND2-O 3.11Å; N161-I230 HydrophobicContact CB-CD1 4.09Å; N161-I230 HydrophobicContact CB-CG1 4.12Å; N161-R300 PolarHBondContact OD1-NH1 3.01Å; N161-R300 PolarHBondContact OD1-NH2 3.32Å |
| 162 | L | 95 | Very high | 94.5 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | trans | -74.7 | 140.5 | 172 | -60.3 | -178.1 | 0 | 0 | 0 | 110.5 | V159 R160 V166 L171 V186 G196 L222 T229 | V159-L162 HydrophobicContact CG1-CD2 3.64Å; V159-L162 HydrophobicContact CG1-CG 4.16Å; R160-L162 VanDerWaalsContact C-N 3.33Å; L162-V166 HydrophobicContact CD2-CG1 4.43Å; L162-L171 HydrophobicContact CD1-CD1 4.38Å; L162-L171 HydrophobicContact CD1-CD2 4.24Å; L162-L171 HydrophobicContact CD2-CD1 4.09Å; L162-V186 HydrophobicContact CD1-CG1 4.39Å; L162-V186 HydrophobicContact CD1-CG2 4.12Å; L162-G196 PolarHBondContact N-O 3.25Å; L162-G196 VanDerWaalsContact O-CA 3.28Å; L162-G196 WeakPolarHBondContact O-CA 3.29Å; L162-L222 HydrophobicContact CD2-CD1 3.77Å; L162-T229 HydrophobicContact CD2-CG2 3.75Å | ||
| 163 | L | 93.2 | Very high | 94.9 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 14% | 0.136 | 27% | 0.271 | C | S | . | . | trans | -76 | 155.1 | 170.3 | -64 | -177.6 | 0 | 0 | 0 | 111.2 | V165 V166 T223 T225 C227 | L163-V165 HydrophobicContact CB-CG2 4.16Å; L163-V165 PolarHBondContact O-N 2.8Å; L163-V165 VanDerWaalsContact O-N 3.08Å; L163-V166 HydrophobicContact CB-CG2 4.39Å; L163-V166 PolarHBondContact O-N 2.69Å; L163-V166 VanDerWaalsContact O-N 3.09Å; L163-T223 HydrophobicContact CD1-CG2 4.31Å; L163-T223 VanDerWaalsContact CD1-OG1 3.31Å; L163-T223 WeakPolarHBondContact CD1-OG1 3.28Å; L163-T225 HydrophobicContact CD1-CG2 4.21Å; L163-C227 HydrophobicContact CD1-CB 4.25Å; L163-C227 HydrophobicContact CD2-CB 4.08Å; L163-C227 HydrophobicContact CG-CB 4.17Å | ||
| 164 | P | 93.2 | Very high | 95.2 | Very high | 109 Ų | 109 | 49.8 Ų | 49.8 | 71% | 0.708 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -19.9 | -178.7 | -25.1 | 35.3 | 0 | 0 | 0 | 115.3 | ||
| 165 | V | 94.8 | Very high | 95.6 | Very high | 104 Ų | 104 | 47.7 Ų | 47.7 | 63% | 0.63 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -8.7 | 179.1 | -60.6 | 0 | 0 | 0 | 0 | 114 | L163 T167 T223 | L163-V165 HydrophobicContact CB-CG2 4.16Å; L163-V165 PolarHBondContact O-N 2.8Å; L163-V165 VanDerWaalsContact O-N 3.08Å; V165-T167 PolarHBondContact O-N 3.33Å; V165-T223 HydrophobicContact CG2-CG2 3.94Å |
| 166 | V | 96.4 | Very high | 95.7 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | trans | -76.7 | 123.3 | 179.1 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | L162 L163 L170 L171 V186 L222 T223 | L162-V166 HydrophobicContact CD2-CG1 4.43Å; L163-V166 HydrophobicContact CB-CG2 4.39Å; L163-V166 PolarHBondContact O-N 2.69Å; L163-V166 VanDerWaalsContact O-N 3.09Å; V166-L170 HydrophobicContact CG1-CD2 4.42Å; V166-L171 HydrophobicContact CG1-CB 4.29Å; V166-V186 HydrophobicContact CG1-CG2 4.36Å; V166-L222 HydrophobicContact CG1-CD1 3.86Å; V166-L222 HydrophobicContact CG2-CB 4.36Å; V166-L222 HydrophobicContact CG2-CD1 4.18Å; V166-T223 HydrophobicContact CG2-CG2 4.15Å | ||
| 167 | T | 96.7 | Very high | 95.7 | Very high | 66 Ų | 66 | 55.8 Ų | 55.8 | 41% | 0.405 | 29% | 0.293 | S | S | . | . | trans | -97.5 | 174.6 | 176.9 | 78.5 | 0 | 0 | 0 | 0 | 111.8 | V165 E169 L170 L171 | V165-T167 PolarHBondContact O-N 3.33Å; T167-E169 VanDerWaalsContact C-N 3.29Å; T167-E169 WeakPolarHBondContact CB-OE2 3.47Å; T167-E169 PolarHBondContact O-N 3.24Å; T167-E169 PolarHBondContact OG1-N 2.83Å; T167-E169 PolarHBondContact OG1-OE2 2.85Å; T167-L170 PolarHBondContact OG1-N 3.15Å; T167-L171 WeakPolarHBondContact O-CB 3.39Å; T167-L171 PolarHBondContact O-N 3.43Å; T167-L171 VanDerWaalsContact O-N 3.11Å | ||
| 168 | N | 96.2 | Very high | 95.7 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 33% | 0.326 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 176.4 | -58.5 | -34.9 | 0 | 0 | 0 | 111.3 | L171 E172 V185 V186 | N168-L171 PolarHBondContact O-N 3.34Å; N168-E172 PolarHBondContact O-N 3.04Å; N168-V185 WeakPolarHBondContact OD1-CA 3.44Å; N168-V186 PolarHBondContact OD1-N 3.06Å |
| 169 | E | 95.7 | Very high | 95.7 | Very high | 122 Ų | 122 | 52.7 Ų | 52.7 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.5 | -45 | -175.2 | -53.7 | 69.6 | -149.1 | 0 | 0 | 110.4 | T167 L171 E172 E173 | T167-E169 VanDerWaalsContact C-N 3.29Å; T167-E169 WeakPolarHBondContact CB-OE2 3.47Å; T167-E169 PolarHBondContact O-N 3.24Å; T167-E169 PolarHBondContact OG1-N 2.83Å; T167-E169 PolarHBondContact OG1-OE2 2.85Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.45Å; E169-E172 PolarHBondContact O-N 3.12Å; E169-E173 WeakPolarHBondContact O-CB 3.38Å; E169-E173 PolarHBondContact O-N 3.47Å |
| 170 | L | 96.7 | Very high | 95.7 | Very high | 58 Ų | 58 | 56.9 Ų | 56.9 | 30% | 0.304 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63 | -37.2 | 174.3 | -178.2 | 63.8 | 0 | 0 | 0 | 111.6 | V166 T167 A174 | V166-L170 HydrophobicContact CG1-CD2 4.42Å; T167-L170 PolarHBondContact OG1-N 3.15Å; L170-A174 VanDerWaalsContact O-CB 3.27Å; L170-A174 WeakPolarHBondContact O-CB 3.44Å; L170-A174 PolarHBondContact O-N 3.08Å |
| 171 | L | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.5 | -37.9 | 175.5 | -169.9 | 67.6 | 0 | 0 | 0 | 111.6 | L162 V166 T167 N168 E169 F175 A184 V186 V200 L222 | L162-L171 HydrophobicContact CD1-CD1 4.38Å; L162-L171 HydrophobicContact CD1-CD2 4.24Å; L162-L171 HydrophobicContact CD2-CD1 4.09Å; V166-L171 HydrophobicContact CG1-CB 4.29Å; T167-L171 WeakPolarHBondContact O-CB 3.39Å; T167-L171 PolarHBondContact O-N 3.43Å; T167-L171 VanDerWaalsContact O-N 3.11Å; N168-L171 PolarHBondContact O-N 3.34Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.45Å; L171-F175 HydrophobicContact CD1-CD2 3.83Å; L171-F175 HydrophobicContact CD1-CE2 3.61Å; L171-F175 HydrophobicContact CG-CD2 4.37Å; L171-F175 WeakPolarHBondContact O-CD2 3.39Å; L171-F175 PolarHBondContact O-N 2.78Å; L171-A184 HydrophobicContact CB-CB 4.12Å; L171-A184 HydrophobicContact CD2-CB 4.15Å; L171-A184 HydrophobicContact CG-CB 4.05Å; L171-V186 HydrophobicContact CD2-CG2 4.1Å; L171-V200 HydrophobicContact CD1-CG2 4.34Å; L171-V200 HydrophobicContact CD2-CG2 3.91Å; L171-V200 HydrophobicContact CG-CG2 3.88Å; L171-L222 HydrophobicContact CD1-CD1 3.92Å |
| 172 | E | 96.3 | Very high | 95.7 | Very high | 61 Ų | 61 | 52.9 Ų | 52.9 | 29% | 0.285 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.4 | -50.1 | 174.5 | -173.8 | 169.9 | 154.5 | 0 | 0 | 111.6 | K75 N168 E169 A174 F175 S176 V181 A184 | K75-E172 WeakPolarHBondContact CE-OE1 3.35Å; K75-E172 IonicContact NZ-OE1 3.8Å; K75-E172 PolarHBondContact NZ-OE1 2.96Å; N168-E172 PolarHBondContact O-N 3.04Å; E169-E172 PolarHBondContact O-N 3.12Å; E172-A174 PolarHBondContact O-N 2.82Å; E172-F175 PolarHBondContact O-N 2.87Å; E172-S176 WeakPolarHBondContact O-CB 3.47Å; E172-S176 PolarHBondContact O-N 3.45Å; E172-V181 HydrophobicContact CG-CB 4.16Å; E172-V181 HydrophobicContact CG-CG1 3.95Å; E172-A184 HydrophobicContact CB-CB 3.84Å |
| 173 | E | 96.4 | Very high | 95.6 | Very high | 140 Ų | 140 | 55.5 Ų | 55.5 | 65% | 0.654 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.1 | -50.3 | 179.3 | -175.4 | 179 | 179.1 | 0 | 0 | 110.9 | E169 F175 S176 | E169-E173 WeakPolarHBondContact O-CB 3.38Å; E169-E173 PolarHBondContact O-N 3.47Å; E173-F175 PolarHBondContact O-N 2.83Å; E173-S176 WeakPolarHBondContact O-CB 3.49Å; E173-S176 PolarHBondContact O-N 3.23Å; E173-S176 PolarHBondContact O-OG 2.67Å |
| 174 | A | 95.9 | Very high | 95.8 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64 | -36.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L170 E172 Q177 M220 L222 | L170-A174 VanDerWaalsContact O-CB 3.27Å; L170-A174 WeakPolarHBondContact O-CB 3.44Å; L170-A174 PolarHBondContact O-N 3.08Å; E172-A174 PolarHBondContact O-N 2.82Å; A174-Q177 VanDerWaalsContact O-CG 3.23Å; A174-Q177 WeakPolarHBondContact O-CG 3.34Å; A174-M220 HydrophobicContact CB-CE 4.25Å; A174-M220 WeakPolarHBondContact O-CE 3.4Å; A174-L222 HydrophobicContact CB-CD2 3.33Å |
| 175 | F | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -82.8 | -19 | 178.1 | -81.6 | -104.2 | 0 | 0 | 0 | 113.1 | V159 L171 E172 E173 Q177 F178 V181 V200 F202 A211 M220 V231 | V159-F175 HydrophobicContact CG1-CZ 4.22Å; V159-F175 HydrophobicContact CG2-CE1 4.14Å; V159-F175 HydrophobicContact CG2-CE2 4.23Å; V159-F175 HydrophobicContact CG2-CZ 3.7Å; L171-F175 HydrophobicContact CD1-CD2 3.83Å; L171-F175 HydrophobicContact CD1-CE2 3.61Å; L171-F175 HydrophobicContact CG-CD2 4.37Å; L171-F175 WeakPolarHBondContact O-CD2 3.39Å; L171-F175 PolarHBondContact O-N 2.78Å; E172-F175 PolarHBondContact O-N 2.87Å; E173-F175 PolarHBondContact O-N 2.83Å; F175-Q177 PolarHBondContact O-N 3.3Å; F175-Q177 VanDerWaalsContact O-N 3.15Å; F175-F178 HydrophobicContact CD1-CD2 4.08Å; F175-F178 HydrophobicContact CD1-CE2 4.12Å; F175-F178 HydrophobicContact CE1-CE2 4.37Å; F175-F178 HydrophobicContact CG-CD2 4.49Å; F175-F178 WeakPolarHBondContact O-CD2 3.44Å; F175-F178 PolarHBondContact O-N 2.71Å; F175-V181 HydrophobicContact CB-CG2 4.01Å; F175-V200 HydrophobicContact CB-CG1 3.83Å; F175-V200 HydrophobicContact CB-CG2 4.5Å; F175-V200 HydrophobicContact CD1-CB 4.32Å; F175-V200 HydrophobicContact CD1-CG1 3.95Å; F175-V200 HydrophobicContact CD1-CG2 4.15Å; F175-V200 HydrophobicContact CD2-CG2 4.15Å; F175-V200 HydrophobicContact CE1-CG2 4.46Å; F175-V200 HydrophobicContact CE2-CG2 4.46Å; F175-V200 HydrophobicContact CG-CB 4.48Å; F175-V200 HydrophobicContact CG-CG1 3.97Å; F175-V200 HydrophobicContact CG-CG2 3.99Å; F175-F202 HydrophobicContact CB-CZ 3.95Å; F175-F202 HydrophobicContact CD1-CE2 4.06Å; F175-F202 AromaticContact CD1-CZ 3.92Å; F175-F202 HydrophobicContact CD1-CZ 3.92Å; F175-F202 HydrophobicContact CG-CZ 4.45Å; F175-F202 WeakPolarHBondContact O-CE1 3.37Å; F175-A211 HydrophobicContact CD1-CB 4.46Å; F175-M220 HydrophobicContact CE2-SD 4.05Å; F175-M220 HydrophobicContact CZ-SD 4.02Å; F175-V231 HydrophobicContact CE1-CG1 4.45Å; F175-V231 HydrophobicContact CE1-CG2 3.93Å; F175-V231 HydrophobicContact CZ-CG2 3.77Å |
| 176 | S | 96.7 | Very high | 96 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 43% | 0.434 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.9 | -26.9 | 175.6 | 79.3 | 0 | 0 | 0 | 0 | 113.5 | E172 E173 F178 G179 | E172-S176 WeakPolarHBondContact O-CB 3.47Å; E172-S176 PolarHBondContact O-N 3.45Å; E173-S176 WeakPolarHBondContact O-CB 3.49Å; E173-S176 PolarHBondContact O-N 3.23Å; E173-S176 PolarHBondContact O-OG 2.67Å; S176-F178 PolarHBondContact O-N 3.44Å; S176-F178 VanDerWaalsContact O-N 3.13Å; S176-G179 WeakPolarHBondContact CA-O 3.44Å; S176-G179 CarbonylContact O-C 3.46Å; S176-G179 PolarHBondContact O-N 3.35Å; S176-G179 VanDerWaalsContact O-N 3.1Å |
| 177 | Q | 95.4 | Very high | 96 | Very high | 120 Ų | 120 | 48.7 Ų | 48.7 | 56% | 0.561 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.1 | 176.4 | 79.8 | -177.8 | 17.9 | 0 | 0 | 113.6 | A174 F175 M220 | A174-Q177 VanDerWaalsContact O-CG 3.23Å; A174-Q177 WeakPolarHBondContact O-CG 3.34Å; F175-Q177 PolarHBondContact O-N 3.3Å; F175-Q177 VanDerWaalsContact O-N 3.15Å; Q177-M220 VanDerWaalsContact NE2-CE 3.29Å |
| 178 | F | 95.8 | Very high | 95.9 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 4% | 0.044 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -33.8 | 178.4 | -57.5 | -62.3 | 0 | 0 | 0 | 111.7 | F175 S176 F202 K210 A211 R214 M220 | F175-F178 HydrophobicContact CD1-CD2 4.08Å; F175-F178 HydrophobicContact CD1-CE2 4.12Å; F175-F178 HydrophobicContact CE1-CE2 4.37Å; F175-F178 HydrophobicContact CG-CD2 4.49Å; F175-F178 WeakPolarHBondContact O-CD2 3.44Å; F175-F178 PolarHBondContact O-N 2.71Å; S176-F178 PolarHBondContact O-N 3.44Å; S176-F178 VanDerWaalsContact O-N 3.13Å; F178-F202 HydrophobicContact CB-CE1 4.11Å; F178-F202 HydrophobicContact CB-CZ 4.09Å; F178-F202 HydrophobicContact CD2-CZ 4.27Å; F178-K210 HydrophobicContact CD1-CG 4.43Å; F178-K210 PolarHBondContact O-NZ 2.89Å; F178-A211 HydrophobicContact CB-CB 3.87Å; F178-A211 HydrophobicContact CD1-CB 4.25Å; F178-A211 HydrophobicContact CD2-CB 3.41Å; F178-A211 VanDerWaalsContact CD2-CB 3.41Å; F178-A211 HydrophobicContact CE2-CB 3.91Å; F178-A211 HydrophobicContact CG-CB 3.58Å; F178-R214 HydrophobicContact CD1-CB 4.36Å; F178-R214 HydrophobicContact CD1-CG 4.31Å; F178-R214 HydrophobicContact CE1-CB 3.55Å; F178-R214 HydrophobicContact CE1-CG 3.84Å; F178-R214 HydrophobicContact CZ-CB 4.15Å; F178-M220 HydrophobicContact CE2-CE 3.62Å; F178-M220 HydrophobicContact CE2-SD 3.75Å; F178-M220 HydrophobicContact CZ-CE 3.81Å; F178-M220 HydrophobicContact CZ-SD 3.9Å |
| 179 | G | 95.6 | Very high | 95.9 | Very high | 17 Ų | 17 | 48.1 Ų | 48.1 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 164.5 | -176.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S176 V181 | S176-G179 WeakPolarHBondContact CA-O 3.44Å; S176-G179 CarbonylContact O-C 3.46Å; S176-G179 PolarHBondContact O-N 3.35Å; S176-G179 VanDerWaalsContact O-N 3.1Å; G179-V181 PolarHBondContact O-N 2.82Å; G179-V181 VanDerWaalsContact O-N 3.17Å |
| 180 | P | 95.8 | Very high | 95.9 | Very high | 88 Ų | 88 | 49.6 Ų | 49.6 | 57% | 0.571 | 27% | 0.272 | S | S | * | . | trans | -61.8 | 117.4 | -176.7 | 23.9 | -33.7 | 0 | 0 | 0 | 112.5 | A203 | P180-A203 HydrophobicContact CB-CB 4.25Å; P180-A203 HydrophobicContact CG-CB 4.15Å; P180-A203 PolarHBondContact O-N 2.69Å | ||
| 181 | V | 96.3 | Very high | 95.8 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.055 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 131.5 | 171.8 | 176.6 | 0 | 0 | 0 | 0 | 108.7 | K75 E172 F175 G179 R183 A184 V200 F202 | K75-V181 PolarHBondContact NZ-O 3.42Å; E172-V181 HydrophobicContact CG-CB 4.16Å; E172-V181 HydrophobicContact CG-CG1 3.95Å; F175-V181 HydrophobicContact CB-CG2 4.01Å; G179-V181 PolarHBondContact O-N 2.82Å; G179-V181 VanDerWaalsContact O-N 3.17Å; V181-R183 VanDerWaalsContact CG1-C 3.48Å; V181-R183 WeakPolarHBondContact CG1-O 3.47Å; V181-A184 HydrophobicContact CG1-CB 4.41Å; V181-V200 HydrophobicContact CG1-CG1 4.16Å; V181-V200 HydrophobicContact CG2-CG1 4.22Å; V181-F202 HydrophobicContact CG2-CD1 3.95Å; V181-F202 HydrophobicContact CG2-CE1 3.63Å; V181-F202 HydrophobicContact CG2-CZ 4.17Å |
| 182 | E | 93.8 | Very high | 95.5 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -39.7 | 171.2 | -70.1 | -175.8 | 178.2 | 0 | 0 | 111.1 | K75 T78 Q79 H153 E201 A203 | K75-E182 WeakPolarHBondContact CD-O 3.17Å; K75-E182 WeakPolarHBondContact CE-O 3.26Å; T78-E182 WeakPolarHBondContact CA-OE2 3.46Å; T78-E182 WeakPolarHBondContact CB-OE2 3.31Å; T78-E182 HydrophobicContact CG2-CB 3.88Å; T78-E182 HydrophobicContact CG2-CG 4.01Å; Q79-E182 PolarHBondContact N-OE1 3.01Å; Q79-E182 PolarHBondContact N-OE2 2.94Å; Q79-E182 PolarHBondContact NE2-OE1 3.32Å; H153-E182 IonicContact NE2-OE2 3.57Å; E182-E201 PolarHBondContact N-O 2.86Å; E182-A203 HydrophobicContact CG-CB 3.73Å; E182-A203 VanDerWaalsContact OE1-CA 3.31Å; E182-A203 WeakPolarHBondContact OE1-CA 3.49Å |
| 183 | R | 93.5 | Very high | 95.4 | Very high | 64 Ų | 64 | 62.4 Ų | 62.4 | 24% | 0.242 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 143.8 | 178.9 | 162 | 174.4 | 163 | -98.2 | -11.1 | 110.9 | V181 V185 E201 | V181-R183 VanDerWaalsContact CG1-C 3.48Å; V181-R183 WeakPolarHBondContact CG1-O 3.47Å; R183-V185 HydrophobicContact CG-CG2 3.96Å; R183-E201 WeakPolarHBondContact CB-OE2 3.21Å; R183-E201 WeakPolarHBondContact CD-OE2 3.33Å; R183-E201 IonicContact CZ-OE1 3.03Å; R183-E201 IonicContact CZ-OE2 2.65Å; R183-E201 PolarHBondContact N-O 3.45Å; R183-E201 IonicContact NE-OE2 2.77Å; R183-E201 IonicContact NH1-OE1 2.59Å; R183-E201 PolarHBondContact NH1-OE1 3.08Å; R183-E201 IonicContact NH1-OE2 3.79Å; R183-E201 PolarHBondContact NH1-OE2 2.96Å; R183-E201 PolarHBondContact O-N 3.27Å |
| 184 | A | 96.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 5% | 0.05 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 139.2 | 162 | 0 | 0 | 0 | 0 | 0 | 110 | L171 E172 V181 I199 V200 | L171-A184 HydrophobicContact CB-CB 4.12Å; L171-A184 HydrophobicContact CD2-CB 4.15Å; L171-A184 HydrophobicContact CG-CB 4.05Å; E172-A184 HydrophobicContact CB-CB 3.84Å; V181-A184 HydrophobicContact CG1-CB 4.41Å; A184-I199 CarbonylContact C-O 3.49Å; A184-I199 WeakPolarHBondContact CA-O 3.41Å; A184-V200 HydrophobicContact CB-CG2 4.22Å |
| 185 | V | 95.9 | Very high | 95.2 | Very high | 41 Ų | 41 | 58.7 Ų | 58.7 | 25% | 0.248 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 129.6 | 176.3 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | N168 R183 G198 I199 | N168-V185 WeakPolarHBondContact OD1-CA 3.44Å; R183-V185 HydrophobicContact CG-CG2 3.96Å; V185-G198 CarbonylContact O-C 3.58Å; V185-G198 WeakPolarHBondContact O-CA 2.99Å; V185-I199 PolarHBondContact N-O 3.49Å; V185-I199 PolarHBondContact O-N 3.28Å |
| 186 | V | 97 | Very high | 95.1 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 127 | 167.4 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | L162 V166 N168 L171 T188 S194 | L162-V186 HydrophobicContact CD1-CG1 4.39Å; L162-V186 HydrophobicContact CD1-CG2 4.12Å; V166-V186 HydrophobicContact CG1-CG2 4.36Å; N168-V186 PolarHBondContact OD1-N 3.06Å; L171-V186 HydrophobicContact CD2-CG2 4.1Å; V186-T188 PolarHBondContact O-N 3.19Å; V186-S194 WeakPolarHBondContact CG1-OG 3.4Å |
| 187 | V | 96.3 | Very high | 95 | Very high | 44 Ų | 44 | 62.4 Ų | 62.4 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 115.4 | -177.5 | 179.2 | 0 | 0 | 0 | 0 | 109 | T195 R197 I199 | V187-T195 WeakPolarHBondContact O-CB 3.37Å; V187-T195 WeakPolarHBondContact O-CG2 3.41Å; V187-T195 PolarHBondContact O-N 3.39Å; V187-T195 PolarHBondContact O-OG1 3.08Å; V187-R197 HydrophobicContact CB-CB 4.42Å; V187-R197 PolarHBondContact N-O 2.86Å; V187-I199 HydrophobicContact CG2-CD1 4.29Å; V187-I199 HydrophobicContact CG2-CG1 4.27Å |
| 188 | T | 95.5 | Very high | 95.1 | Very high | 78 Ų | 78 | 56.7 Ų | 56.7 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 160.9 | 175 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | V186 G192 R193 | V186-T188 PolarHBondContact O-N 3.19Å; T188-G192 WeakPolarHBondContact CG2-O 3.32Å; T188-R193 CarbonylContact C-O 3.53Å; T188-R193 WeakPolarHBondContact CA-O 3.28Å |
| 189 | D | 94.9 | Very high | 95.1 | Very high | 37 Ų | 37 | 57.9 Ų | 57.9 | 20% | 0.198 | 31% | 0.307 | C | S | . | . | trans | -80.1 | 179.4 | 166.8 | 72.8 | 2.2 | 0 | 0 | 0 | 111.6 | R191 G192 R193 T195 | D189-R191 PolarHBondContact O-N 3.5Å; D189-R191 VanDerWaalsContact O-N 3.11Å; D189-R191 VanDerWaalsContact OD1-C 3.24Å; D189-R191 VanDerWaalsContact OD1-CA 3.3Å; D189-R191 WeakPolarHBondContact OD1-CA 3.12Å; D189-R191 WeakPolarHBondContact OD1-CB 3.32Å; D189-R191 PolarHBondContact OD1-N 3.26Å; D189-G192 PolarHBondContact O-N 2.98Å; D189-G192 PolarHBondContact OD1-N 3.22Å; D189-R193 PolarHBondContact N-O 3.48Å; D189-R193 WeakPolarHBondContact OD1-CB 3.35Å; D189-R193 PolarHBondContact OD1-N 3.22Å; D189-R193 IonicContact OD1-NE 3.23Å; D189-R193 IonicContact OD2-CZ 2.8Å; D189-R193 IonicContact OD2-NE 3.97Å; D189-R193 PolarHBondContact OD2-NE 3.03Å; D189-R193 IonicContact OD2-NH2 2.97Å; D189-R193 PolarHBondContact OD2-NH2 3.48Å; D189-T195 HydrophobicContact CB-CG2 4.08Å | ||
| 190 | D | 95.6 | Very high | 95.2 | Very high | 154 Ų | 154 | 57 Ų | 57 | 82% | 0.824 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -17.5 | 175.2 | 62.7 | -50.1 | 0 | 0 | 0 | 113.7 | ||
| 191 | R | 94.6 | Very high | 95.2 | Very high | 187 Ų | 187 | 53.5 Ų | 53.5 | 71% | 0.706 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 7.5 | 179.7 | -40.8 | -176.1 | 85.5 | -175 | 6.7 | 112.2 | D189 R193 | D189-R191 PolarHBondContact O-N 3.5Å; D189-R191 VanDerWaalsContact O-N 3.11Å; D189-R191 VanDerWaalsContact OD1-C 3.24Å; D189-R191 VanDerWaalsContact OD1-CA 3.3Å; D189-R191 WeakPolarHBondContact OD1-CA 3.12Å; D189-R191 WeakPolarHBondContact OD1-CB 3.32Å; D189-R191 PolarHBondContact OD1-N 3.26Å; R191-R193 VanDerWaalsContact C-N 3.34Å; R191-R193 HydrophobicContact CB-CG 4.47Å; R191-R193 PolarHBondContact O-N 3.3Å |
| 192 | G | 91.9 | Very high | 95.2 | Very high | 53 Ų | 53 | 53 Ų | 53 | 55% | 0.546 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 77.4 | 9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T188 D189 | T188-G192 WeakPolarHBondContact CG2-O 3.32Å; D189-G192 PolarHBondContact O-N 2.98Å; D189-G192 PolarHBondContact OD1-N 3.22Å |
| 193 | R | 93.7 | Very high | 95.2 | Very high | 148 Ų | 148 | 54.1 Ų | 54.1 | 56% | 0.558 | 28% | 0.284 | S | S | * | . | trans | -86.5 | 141.7 | 179.7 | -54.3 | 177.5 | -62.8 | 168.4 | 4.3 | 110.3 | T188 D189 R191 T195 | T188-R193 CarbonylContact C-O 3.53Å; T188-R193 WeakPolarHBondContact CA-O 3.28Å; D189-R193 PolarHBondContact N-O 3.48Å; D189-R193 WeakPolarHBondContact OD1-CB 3.35Å; D189-R193 PolarHBondContact OD1-N 3.22Å; D189-R193 IonicContact OD1-NE 3.23Å; D189-R193 IonicContact OD2-CZ 2.8Å; D189-R193 IonicContact OD2-NE 3.97Å; D189-R193 PolarHBondContact OD2-NE 3.03Å; D189-R193 IonicContact OD2-NH2 2.97Å; D189-R193 PolarHBondContact OD2-NH2 3.48Å; R191-R193 VanDerWaalsContact C-N 3.34Å; R191-R193 HydrophobicContact CB-CG 4.47Å; R191-R193 PolarHBondContact O-N 3.3Å; R193-T195 PolarHBondContact O-N 3.3Å | ||
| 194 | S | 94.3 | Very high | 95.1 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 131.1 | 176.8 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | V186 G196 | V186-S194 WeakPolarHBondContact CG1-OG 3.4Å; S194-G196 PolarHBondContact O-N 2.81Å; S194-G196 PolarHBondContact OG-N 2.86Å |
| 195 | T | 94.1 | Very high | 95 | Very high | 46 Ų | 46 | 59 Ų | 59 | 28% | 0.282 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 9.2 | 174.7 | 67.2 | 0 | 0 | 0 | 0 | 113.3 | V187 D189 R193 R197 | V187-T195 WeakPolarHBondContact O-CB 3.37Å; V187-T195 WeakPolarHBondContact O-CG2 3.41Å; V187-T195 PolarHBondContact O-N 3.39Å; V187-T195 PolarHBondContact O-OG1 3.08Å; D189-T195 HydrophobicContact CB-CG2 4.08Å; R193-T195 PolarHBondContact O-N 3.3Å; T195-R197 PolarHBondContact O-N 3.39Å; T195-R197 PolarHBondContact OG1-NE 3.2Å; T195-R197 VanDerWaalsContact OG1-NE 3.08Å; T195-R197 PolarHBondContact OG1-NH2 3.41Å |
| 196 | G | 93.4 | Very high | 95 | Very high | 17 Ų | 17 | 61.4 Ų | 61.4 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.9 | 17.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R160 N161 L162 S194 | R160-G196 CarbonylContact C-O 3.43Å; N161-G196 PolarHBondContact N-O 3.2Å; L162-G196 PolarHBondContact N-O 3.25Å; L162-G196 VanDerWaalsContact O-CA 3.28Å; L162-G196 WeakPolarHBondContact O-CA 3.29Å; S194-G196 PolarHBondContact O-N 2.81Å; S194-G196 PolarHBondContact OG-N 2.86Å |
| 197 | R | 96.1 | Very high | 94.9 | Very high | 122 Ų | 122 | 61.2 Ų | 61.2 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 149.7 | -179.4 | -60.3 | 174.3 | -62.4 | 178.7 | 4.5 | 109.7 | V159 V187 T195 | V159-R197 CarbonylContact O-C 3.55Å; V159-R197 VanDerWaalsContact O-CA 3.28Å; V159-R197 WeakPolarHBondContact O-CA 3.25Å; V187-R197 HydrophobicContact CB-CB 4.42Å; V187-R197 PolarHBondContact N-O 2.86Å; T195-R197 PolarHBondContact O-N 3.39Å; T195-R197 PolarHBondContact OG1-NE 3.2Å; T195-R197 VanDerWaalsContact OG1-NE 3.08Å; T195-R197 PolarHBondContact OG1-NH2 3.41Å |
| 198 | G | 96.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 169.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V159 V185 | V159-G198 PolarHBondContact N-O 3.28Å; V159-G198 PolarHBondContact O-N 3.43Å; V185-G198 CarbonylContact O-C 3.58Å; V185-G198 WeakPolarHBondContact O-CA 2.99Å |
| 199 | I | 96.6 | Very high | 95 | Very high | 34 Ų | 34 | 61.7 Ų | 61.7 | 17% | 0.174 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.7 | 177 | -58.8 | 170.9 | 0 | 0 | 0 | 106.9 | L157 A184 V185 V187 E201 M234 | L157-I199 WeakPolarHBondContact O-CA 3.49Å; A184-I199 CarbonylContact C-O 3.49Å; A184-I199 WeakPolarHBondContact CA-O 3.41Å; V185-I199 PolarHBondContact N-O 3.49Å; V185-I199 PolarHBondContact O-N 3.28Å; V187-I199 HydrophobicContact CG2-CD1 4.29Å; V187-I199 HydrophobicContact CG2-CG1 4.27Å; I199-E201 HydrophobicContact CG2-CG 4.15Å; I199-M234 HydrophobicContact CD1-CE 4.04Å; I199-M234 HydrophobicContact CG2-CE 4.5Å; I199-M234 HydrophobicContact CG2-SD 3.83Å |
| 200 | V | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121.6 | 174.9 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | L157 V159 L171 F175 V181 A184 F202 | L157-V200 PolarHBondContact N-O 3.08Å; L157-V200 PolarHBondContact O-N 2.72Å; V159-V200 HydrophobicContact CG2-CB 4.49Å; V159-V200 HydrophobicContact CG2-CG2 3.76Å; L171-V200 HydrophobicContact CD1-CG2 4.34Å; L171-V200 HydrophobicContact CD2-CG2 3.91Å; L171-V200 HydrophobicContact CG-CG2 3.88Å; F175-V200 HydrophobicContact CB-CG1 3.83Å; F175-V200 HydrophobicContact CB-CG2 4.5Å; F175-V200 HydrophobicContact CD1-CB 4.32Å; F175-V200 HydrophobicContact CD1-CG1 3.95Å; F175-V200 HydrophobicContact CD1-CG2 4.15Å; F175-V200 HydrophobicContact CD2-CG2 4.15Å; F175-V200 HydrophobicContact CE1-CG2 4.46Å; F175-V200 HydrophobicContact CE2-CG2 4.46Å; F175-V200 HydrophobicContact CG-CB 4.48Å; F175-V200 HydrophobicContact CG-CG1 3.97Å; F175-V200 HydrophobicContact CG-CG2 3.99Å; V181-V200 HydrophobicContact CG1-CG1 4.16Å; V181-V200 HydrophobicContact CG2-CG1 4.22Å; A184-V200 HydrophobicContact CB-CG2 4.22Å; V200-F202 HydrophobicContact CG1-CD2 4.03Å; V200-F202 HydrophobicContact CG1-CE2 3.64Å; V200-F202 HydrophobicContact CG1-CZ 4.09Å |
| 201 | E | 95.8 | Very high | 95 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 113.8 | -177.5 | -74.4 | 158.1 | 176.7 | 0 | 0 | 108.3 | R80 A156 E182 R183 I199 | R80-E201 WeakPolarHBondContact CD-OE2 3.36Å; R80-E201 IonicContact NE-OE1 2.7Å; A156-E201 HydrophobicContact CB-CG 4.16Å; E182-E201 PolarHBondContact N-O 2.86Å; R183-E201 WeakPolarHBondContact CB-OE2 3.21Å; R183-E201 WeakPolarHBondContact CD-OE2 3.33Å; R183-E201 IonicContact CZ-OE1 3.03Å; R183-E201 IonicContact CZ-OE2 2.65Å; R183-E201 PolarHBondContact N-O 3.45Å; R183-E201 IonicContact NE-OE2 2.77Å; R183-E201 IonicContact NH1-OE1 2.59Å; R183-E201 PolarHBondContact NH1-OE1 3.08Å; R183-E201 IonicContact NH1-OE2 3.79Å; R183-E201 PolarHBondContact NH1-OE2 2.96Å; R183-E201 PolarHBondContact O-N 3.27Å; I199-E201 HydrophobicContact CG2-CG 4.15Å |
| 202 | F | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 145.2 | 178.6 | -77 | -85.3 | 0 | 0 | 0 | 112.2 | Q79 A155 L157 F175 F178 V181 V200 S204 A207 A208 A211 | Q79-F202 PolarHBondContact NE2-O 2.7Å; A155-F202 HydrophobicContact CB-CB 4.24Å; A155-F202 VanDerWaalsContact CB-O 3.23Å; A155-F202 WeakPolarHBondContact CB-O 3.33Å; A155-F202 PolarHBondContact O-N 2.82Å; L157-F202 HydrophobicContact CD1-CD2 4.22Å; L157-F202 HydrophobicContact CD1-CE2 3.83Å; F175-F202 HydrophobicContact CB-CZ 3.95Å; F175-F202 HydrophobicContact CD1-CE2 4.06Å; F175-F202 AromaticContact CD1-CZ 3.92Å; F175-F202 HydrophobicContact CD1-CZ 3.92Å; F175-F202 HydrophobicContact CG-CZ 4.45Å; F175-F202 WeakPolarHBondContact O-CE1 3.37Å; F178-F202 HydrophobicContact CB-CE1 4.11Å; F178-F202 HydrophobicContact CB-CZ 4.09Å; F178-F202 HydrophobicContact CD2-CZ 4.27Å; V181-F202 HydrophobicContact CG2-CD1 3.95Å; V181-F202 HydrophobicContact CG2-CE1 3.63Å; V181-F202 HydrophobicContact CG2-CZ 4.17Å; V200-F202 HydrophobicContact CG1-CD2 4.03Å; V200-F202 HydrophobicContact CG1-CE2 3.64Å; V200-F202 HydrophobicContact CG1-CZ 4.09Å; F202-S204 PolarHBondContact O-N 2.89Å; F202-A207 HydrophobicContact CB-CB 4.32Å; F202-A207 HydrophobicContact CD1-CB 3.56Å; F202-A207 HydrophobicContact CE1-CB 4.07Å; F202-A207 HydrophobicContact CG-CB 4.09Å; F202-A208 HydrophobicContact CB-CB 4.19Å; F202-A208 HydrophobicContact CD2-CB 3.86Å; F202-A208 HydrophobicContact CG-CB 4.28Å; F202-A211 HydrophobicContact CE2-CB 3.9Å; F202-A211 HydrophobicContact CZ-CB 3.86Å |
| 203 | A | 93.1 | Very high | 95.2 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -67.8 | -17 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q79 P180 E182 | Q79-A203 PolarHBondContact NE2-O 2.73Å; P180-A203 HydrophobicContact CB-CB 4.25Å; P180-A203 HydrophobicContact CG-CB 4.15Å; P180-A203 PolarHBondContact O-N 2.69Å; E182-A203 HydrophobicContact CG-CB 3.73Å; E182-A203 VanDerWaalsContact OE1-CA 3.31Å; E182-A203 WeakPolarHBondContact OE1-CA 3.49Å |
| 204 | S | 92.6 | Very high | 95.3 | Very high | 47 Ų | 47 | 52.2 Ų | 52.2 | 33% | 0.329 | 26% | 0.258 | S | S | . | . | trans | -134.9 | 132.7 | 179 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | F202 V206 A207 A208 | F202-S204 PolarHBondContact O-N 2.89Å; S204-V206 PolarHBondContact O-N 3.41Å; S204-V206 VanDerWaalsContact O-N 3.16Å; S204-V206 PolarHBondContact OG-N 2.91Å; S204-V206 VanDerWaalsContact OG-N 3.16Å; S204-A207 WeakPolarHBondContact O-CB 3.49Å; S204-A207 PolarHBondContact O-N 3.44Å; S204-A208 PolarHBondContact O-N 2.99Å; S204-A208 VanDerWaalsContact O-N 3.12Å | ||
| 205 | K | 93.5 | Very high | 95.3 | Very high | 126 Ų | 126 | 51 Ų | 51 | 55% | 0.548 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.7 | -21.7 | 170.8 | -173.2 | 168.6 | -174.7 | 172.5 | 0 | 113.1 | G154 A155 R209 | G154-K205 WeakPolarHBondContact O-CD 3.46Å; A155-K205 HydrophobicContact CB-CB 4.3Å; K205-R209 WeakPolarHBondContact O-CG 3.29Å; K205-R209 PolarHBondContact O-N 2.82Å; K205-R209 VanDerWaalsContact O-N 3.15Å; K205-R209 PolarHBondContact O-NE 3.05Å |
| 206 | V | 95.9 | Very high | 95.2 | Very high | 90 Ų | 90 | 54 Ų | 54 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -71.3 | -44 | 173.4 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | S204 R209 K210 | S204-V206 PolarHBondContact O-N 3.41Å; S204-V206 VanDerWaalsContact O-N 3.16Å; S204-V206 PolarHBondContact OG-N 2.91Å; S204-V206 VanDerWaalsContact OG-N 3.16Å; V206-R209 PolarHBondContact O-N 2.88Å; V206-K210 WeakPolarHBondContact O-CB 3.47Å; V206-K210 PolarHBondContact O-N 2.62Å |
| 207 | A | 96.4 | Very high | 95.2 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F202 S204 R209 K210 A211 | F202-A207 HydrophobicContact CB-CB 4.32Å; F202-A207 HydrophobicContact CD1-CB 3.56Å; F202-A207 HydrophobicContact CE1-CB 4.07Å; F202-A207 HydrophobicContact CG-CB 4.09Å; S204-A207 WeakPolarHBondContact O-CB 3.49Å; S204-A207 PolarHBondContact O-N 3.44Å; A207-R209 PolarHBondContact O-N 3.18Å; A207-K210 PolarHBondContact O-N 3.35Å; A207-A211 WeakPolarHBondContact O-CB 3.41Å; A207-A211 PolarHBondContact O-N 2.96Å |
| 208 | A | 96.1 | Very high | 95 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | A155 L157 F202 S204 A211 L212 | A155-A208 HydrophobicContact CB-CB 4.03Å; L157-A208 HydrophobicContact CD1-CB 4.33Å; L157-A208 WeakPolarHBondContact CD1-O 3.46Å; L157-A208 HydrophobicContact CD2-CB 4.39Å; L157-A208 HydrophobicContact CG-CB 4.29Å; F202-A208 HydrophobicContact CB-CB 4.19Å; F202-A208 HydrophobicContact CD2-CB 3.86Å; F202-A208 HydrophobicContact CG-CB 4.28Å; S204-A208 PolarHBondContact O-N 2.99Å; S204-A208 VanDerWaalsContact O-N 3.12Å; A208-A211 PolarHBondContact O-N 2.78Å; A208-L212 WeakPolarHBondContact O-CB 3.36Å; A208-L212 PolarHBondContact O-N 3.09Å |
| 209 | R | 95.9 | Very high | 94.8 | Very high | 127 Ų | 127 | 60.9 Ų | 60.9 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 175.3 | -76.8 | -175.5 | -64.8 | -173.3 | 6.1 | 112.3 | K205 V206 A207 A211 L212 E213 | K205-R209 WeakPolarHBondContact O-CG 3.29Å; K205-R209 PolarHBondContact O-N 2.82Å; K205-R209 VanDerWaalsContact O-N 3.15Å; K205-R209 PolarHBondContact O-NE 3.05Å; V206-R209 PolarHBondContact O-N 2.88Å; A207-R209 PolarHBondContact O-N 3.18Å; R209-A211 VanDerWaalsContact C-N 3.28Å; R209-A211 PolarHBondContact O-N 3.47Å; R209-L212 WeakPolarHBondContact O-CB 3.49Å; R209-L212 PolarHBondContact O-N 3.03Å; R209-L212 VanDerWaalsContact O-N 3.13Å; R209-E213 WeakPolarHBondContact O-CB 3.2Å; R209-E213 WeakPolarHBondContact O-CG 3.35Å; R209-E213 PolarHBondContact O-N 3.47Å |
| 210 | K | 95.9 | Very high | 94.6 | Very high | 79 Ų | 79 | 60.2 Ų | 60.2 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58 | -39.3 | 176.1 | 178.1 | -175 | 164.2 | -157.4 | 0 | 112.1 | F178 V206 A207 R214 | F178-K210 HydrophobicContact CD1-CG 4.43Å; F178-K210 PolarHBondContact O-NZ 2.89Å; V206-K210 WeakPolarHBondContact O-CB 3.47Å; V206-K210 PolarHBondContact O-N 2.62Å; A207-K210 PolarHBondContact O-N 3.35Å; K210-R214 HydrophobicContact CG-CG 4.48Å; K210-R214 VanDerWaalsContact O-CB 3.23Å; K210-R214 WeakPolarHBondContact O-CB 3.16Å; K210-R214 WeakPolarHBondContact O-CG 3.34Å; K210-R214 PolarHBondContact O-N 3.11Å |
| 211 | A | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L157 F175 F178 F202 A207 A208 R209 R214 C215 | L157-A211 HydrophobicContact CD1-CB 3.92Å; F175-A211 HydrophobicContact CD1-CB 4.46Å; F178-A211 HydrophobicContact CB-CB 3.87Å; F178-A211 HydrophobicContact CD1-CB 4.25Å; F178-A211 HydrophobicContact CD2-CB 3.41Å; F178-A211 VanDerWaalsContact CD2-CB 3.41Å; F178-A211 HydrophobicContact CE2-CB 3.91Å; F178-A211 HydrophobicContact CG-CB 3.58Å; F202-A211 HydrophobicContact CE2-CB 3.9Å; F202-A211 HydrophobicContact CZ-CB 3.86Å; A207-A211 WeakPolarHBondContact O-CB 3.41Å; A207-A211 PolarHBondContact O-N 2.96Å; A208-A211 PolarHBondContact O-N 2.78Å; R209-A211 VanDerWaalsContact C-N 3.28Å; R209-A211 PolarHBondContact O-N 3.47Å; A211-R214 PolarHBondContact O-N 3.33Å; A211-C215 WeakPolarHBondContact O-CB 3.2Å; A211-C215 PolarHBondContact O-N 2.79Å; A211-C215 PolarHBondContact O-SG 3.44Å |
| 212 | L | 95.4 | Very high | 94.4 | Very high | 37 Ų | 37 | 65 Ų | 65 | 19% | 0.194 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 178.4 | -175.7 | 69 | 0 | 0 | 0 | 112.4 | A208 R209 N216 V231 P233 | A208-L212 WeakPolarHBondContact O-CB 3.36Å; A208-L212 PolarHBondContact O-N 3.09Å; R209-L212 WeakPolarHBondContact O-CB 3.49Å; R209-L212 PolarHBondContact O-N 3.03Å; R209-L212 VanDerWaalsContact O-N 3.13Å; L212-N216 WeakPolarHBondContact O-CB 3.49Å; L212-N216 VanDerWaalsContact O-CG 3.22Å; L212-N216 PolarHBondContact O-N 3.19Å; L212-N216 VanDerWaalsContact O-N 3.15Å; L212-N216 PolarHBondContact O-ND2 2.9Å; L212-N216 VanDerWaalsContact O-ND2 3.13Å; L212-V231 HydrophobicContact CD1-CB 4.46Å; L212-V231 HydrophobicContact CD1-CG1 4.1Å; L212-V231 VanDerWaalsContact CD1-O 3.23Å; L212-V231 WeakPolarHBondContact CD1-O 3.49Å; L212-P233 HydrophobicContact CD1-CG 4.48Å; L212-P233 HydrophobicContact CD2-CG 3.93Å |
| 213 | E | 95.1 | Very high | 94.2 | Very high | 108 Ų | 108 | 66.7 Ų | 66.7 | 51% | 0.505 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.4 | -54.4 | 176.6 | -71.5 | 157.5 | -166.4 | 0 | 0 | 110.5 | R209 C215 N216 E217 | R209-E213 WeakPolarHBondContact O-CB 3.2Å; R209-E213 WeakPolarHBondContact O-CG 3.35Å; R209-E213 PolarHBondContact O-N 3.47Å; E213-C215 VanDerWaalsContact C-N 3.33Å; E213-C215 PolarHBondContact O-N 3.05Å; E213-N216 PolarHBondContact O-N 3.32Å; E213-N216 VanDerWaalsContact O-N 3.15Å; E213-E217 WeakPolarHBondContact O-CG 3.3Å; E213-E217 PolarHBondContact O-N 3.33Å |
| 214 | R | 94.9 | Very high | 94.1 | Very high | 156 Ų | 156 | 71.6 Ų | 71.6 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.3 | -37.6 | -179.5 | -74.8 | -89.3 | -177.2 | 131.7 | -4.4 | 114 | F178 K210 A211 G218 | F178-R214 HydrophobicContact CD1-CB 4.36Å; F178-R214 HydrophobicContact CD1-CG 4.31Å; F178-R214 HydrophobicContact CE1-CB 3.55Å; F178-R214 HydrophobicContact CE1-CG 3.84Å; F178-R214 HydrophobicContact CZ-CB 4.15Å; K210-R214 HydrophobicContact CG-CG 4.48Å; K210-R214 VanDerWaalsContact O-CB 3.23Å; K210-R214 WeakPolarHBondContact O-CB 3.16Å; K210-R214 WeakPolarHBondContact O-CG 3.34Å; K210-R214 PolarHBondContact O-N 3.11Å; A211-R214 PolarHBondContact O-N 3.33Å; R214-G218 PolarHBondContact O-N 3.45Å; R214-G218 VanDerWaalsContact O-N 3.09Å |
| 215 | C | 94.2 | Very high | 93.8 | Very high | 11 Ų | 11 | 72.2 Ų | 72.2 | 7% | 0.074 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -84.6 | -11 | -178.7 | -59.2 | 0 | 0 | 0 | 0 | 113.7 | A211 E213 G218 V231 | A211-C215 WeakPolarHBondContact O-CB 3.2Å; A211-C215 PolarHBondContact O-N 2.79Å; A211-C215 PolarHBondContact O-SG 3.44Å; E213-C215 VanDerWaalsContact C-N 3.33Å; E213-C215 PolarHBondContact O-N 3.05Å; C215-G218 CarbonylContact C-O 3.56Å; C215-G218 VanDerWaalsContact O-O 3.13Å; C215-V231 HydrophobicContact CB-CB 3.95Å; C215-V231 HydrophobicContact CB-CG2 3.57Å |
| 216 | N | 91.8 | Very high | 93.5 | Very high | 108 Ų | 108 | 69.1 Ų | 69.1 | 58% | 0.578 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -95.4 | -33.4 | 171.8 | -73.1 | -23.9 | 0 | 0 | 0 | 111.8 | L212 E213 | L212-N216 WeakPolarHBondContact O-CB 3.49Å; L212-N216 VanDerWaalsContact O-CG 3.22Å; L212-N216 PolarHBondContact O-N 3.19Å; L212-N216 VanDerWaalsContact O-N 3.15Å; L212-N216 PolarHBondContact O-ND2 2.9Å; L212-N216 VanDerWaalsContact O-ND2 3.13Å; E213-N216 PolarHBondContact O-N 3.32Å; E213-N216 VanDerWaalsContact O-N 3.15Å |
| 217 | E | 93.1 | Very high | 93.1 | Very high | 167 Ų | 167 | 65.8 Ų | 65.8 | 78% | 0.78 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -78.3 | -28.6 | 174.9 | -69.4 | 177.9 | 172.4 | 0 | 0 | 113.1 | E213 | E213-E217 WeakPolarHBondContact O-CG 3.3Å; E213-E217 PolarHBondContact O-N 3.33Å |
| 218 | G | 92.6 | Very high | 93 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -135.1 | 166.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | R214 C215 M220 | R214-G218 PolarHBondContact O-N 3.45Å; R214-G218 VanDerWaalsContact O-N 3.09Å; C215-G218 CarbonylContact C-O 3.56Å; C215-G218 VanDerWaalsContact O-O 3.13Å; G218-M220 PolarHBondContact O-N 3.26Å |
| 219 | A | 92.2 | Very high | 92.9 | Very high | 77 Ų | 77 | 68.3 Ų | 68.3 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | trans | -88.2 | 99.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L221 P228 | A219-L221 PolarHBondContact O-N 3.32Å; A219-P228 HydrophobicContact CB-CB 4.14Å | ||
| 220 | M | 92.6 | Very high | 92.8 | Very high | 20 Ų | 20 | 65.3 Ų | 65.3 | 10% | 0.099 | 36% | 0.361 | C | S | . | . | trans | -75.2 | 119.6 | 169.7 | 177.7 | 166.2 | -137 | 0 | 0 | 110.4 | A174 F175 Q177 F178 G218 L222 P228 T229 | A174-M220 HydrophobicContact CB-CE 4.25Å; A174-M220 WeakPolarHBondContact O-CE 3.4Å; F175-M220 HydrophobicContact CE2-SD 4.05Å; F175-M220 HydrophobicContact CZ-SD 4.02Å; Q177-M220 VanDerWaalsContact NE2-CE 3.29Å; F178-M220 HydrophobicContact CE2-CE 3.62Å; F178-M220 HydrophobicContact CE2-SD 3.75Å; F178-M220 HydrophobicContact CZ-CE 3.81Å; F178-M220 HydrophobicContact CZ-SD 3.9Å; G218-M220 PolarHBondContact O-N 3.26Å; M220-L222 HydrophobicContact CE-CD2 4.33Å; M220-L222 HydrophobicContact CG-CD2 4.29Å; M220-L222 HydrophobicContact SD-CD2 4.47Å; M220-P228 WeakPolarHBondContact O-CA 3.44Å; M220-T229 PolarHBondContact O-N 2.95Å; M220-T229 PolarHBondContact O-OG1 3.25Å | ||
| 221 | L | 94.4 | Very high | 92.9 | Very high | 88 Ų | 88 | 61.7 Ų | 61.7 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | B | Isolated β-bridge | trans | -109.2 | 132.2 | 176.5 | -55.1 | -177.9 | 0 | 0 | 0 | 109.6 | A219 P226 P228 | A219-L221 PolarHBondContact O-N 3.32Å; L221-P226 HydrophobicContact CD1-CB 4.21Å; L221-P226 HydrophobicContact CD2-CB 4.48Å; L221-P228 HydrophobicContact CD2-CB 4.47Å |
| 222 | L | 93.7 | Very high | 92.8 | Very high | 25 Ų | 25 | 64.3 Ų | 64.3 | 13% | 0.131 | 36% | 0.358 | C | S | . | . | trans | -100.6 | -9.5 | 176.5 | -58.5 | -173.1 | 0 | 0 | 0 | 113.6 | L162 V166 L171 A174 M220 T229 | L162-L222 HydrophobicContact CD2-CD1 3.77Å; V166-L222 HydrophobicContact CG1-CD1 3.86Å; V166-L222 HydrophobicContact CG2-CB 4.36Å; V166-L222 HydrophobicContact CG2-CD1 4.18Å; L171-L222 HydrophobicContact CD1-CD1 3.92Å; A174-L222 HydrophobicContact CB-CD2 3.33Å; M220-L222 HydrophobicContact CE-CD2 4.33Å; M220-L222 HydrophobicContact CG-CD2 4.29Å; M220-L222 HydrophobicContact SD-CD2 4.47Å; L222-T229 HydrophobicContact CD1-CG2 3.62Å; L222-T229 HydrophobicContact CG-CG2 3.6Å | ||
| 223 | T | 93 | Very high | 92.8 | Very high | 36 Ų | 36 | 66.5 Ų | 66.5 | 22% | 0.221 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -148 | 166 | -165.9 | 53 | 0 | 0 | 0 | 0 | 110.8 | L163 V165 V166 T225 | L163-T223 HydrophobicContact CD1-CG2 4.31Å; L163-T223 VanDerWaalsContact CD1-OG1 3.31Å; L163-T223 WeakPolarHBondContact CD1-OG1 3.28Å; V165-T223 HydrophobicContact CG2-CG2 3.94Å; V166-T223 HydrophobicContact CG2-CG2 4.15Å; T223-T225 VanDerWaalsContact C-N 3.28Å; T223-T225 PolarHBondContact O-N 2.96Å; T223-T225 PolarHBondContact OG1-O 2.84Å; T223-T225 VanDerWaalsContact OG1-O 3.12Å |
| 224 | T | 89.7 | Confident | 92.6 | Very high | 149 Ų | 149 | 65.2 Ų | 65.2 | 91% | 0.914 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -58.3 | -36.6 | 174.6 | -44.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 225 | T | 87.3 | Confident | 92.3 | Very high | 60 Ų | 60 | 65.5 Ų | 65.5 | 37% | 0.368 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -68.4 | 126.7 | 171.8 | -55.6 | 0 | 0 | 0 | 0 | 108.9 | L163 T223 C227 | L163-T225 HydrophobicContact CD1-CG2 4.21Å; T223-T225 VanDerWaalsContact C-N 3.28Å; T223-T225 PolarHBondContact O-N 2.96Å; T223-T225 PolarHBondContact OG1-O 2.84Å; T223-T225 VanDerWaalsContact OG1-O 3.12Å; T225-C227 PolarHBondContact O-N 2.77Å |
| 226 | P | 87.9 | Confident | 91.8 | Very high | 61 Ų | 61 | 70.8 Ų | 70.8 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | trans | -78.2 | 57.3 | -173.3 | 34.1 | -38.6 | 0 | 0 | 0 | 112.2 | L221 P228 L307 | L221-P226 HydrophobicContact CD1-CB 4.21Å; L221-P226 HydrophobicContact CD2-CB 4.48Å; P226-P228 WeakPolarHBondContact O-CD 3.14Å; P226-L307 HydrophobicContact CG-CD1 3.74Å; P226-L307 HydrophobicContact CG-CD2 3.87Å; P226-L307 HydrophobicContact CG-CG 4.43Å | ||
| 227 | C | 87.3 | Confident | 91.6 | Very high | 20 Ų | 20 | 71.8 Ų | 71.8 | 14% | 0.135 | 41% | 0.405 | C | S | . | . | trans | -94.5 | 108.4 | 176.7 | -153.5 | 0 | 0 | 0 | 0 | 109.2 | N161 L163 T225 | N161-C227 PolarHBondContact ND2-SG 3.32Å; L163-C227 HydrophobicContact CD1-CB 4.25Å; L163-C227 HydrophobicContact CD2-CB 4.08Å; L163-C227 HydrophobicContact CG-CB 4.17Å; T225-C227 PolarHBondContact O-N 2.77Å | ||
| 228 | P | 93.2 | Very high | 91.1 | Very high | 59 Ų | 59 | 67.2 Ų | 67.2 | 38% | 0.383 | 39% | 0.386 | S | S | . | . | B | Isolated β-bridge | trans | -71.6 | 132 | -178.8 | 28.3 | -34.1 | 0 | 0 | 0 | 111.2 | N161 A219 M220 L221 P226 | N161-P228 PolarHBondContact ND2-O 3.11Å; A219-P228 HydrophobicContact CB-CB 4.14Å; M220-P228 WeakPolarHBondContact O-CA 3.44Å; L221-P228 HydrophobicContact CD2-CB 4.47Å; P226-P228 WeakPolarHBondContact O-CD 3.14Å |
| 229 | T | 94.2 | Very high | 90.7 | Very high | 6 Ų | 6 | 72.4 Ų | 72.4 | 4% | 0.037 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 127.4 | 174.4 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | V159 L162 M220 L222 | V159-T229 HydrophobicContact CG1-CG2 4.49Å; L162-T229 HydrophobicContact CD2-CG2 3.75Å; M220-T229 PolarHBondContact O-N 2.95Å; M220-T229 PolarHBondContact O-OG1 3.25Å; L222-T229 HydrophobicContact CD1-CG2 3.62Å; L222-T229 HydrophobicContact CG-CG2 3.6Å |
| 230 | I | 95.3 | Very high | 90.3 | Very high | 65 Ų | 65 | 75 Ų | 75 | 33% | 0.333 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.4 | 179.6 | -56.7 | 172.5 | 0 | 0 | 0 | 107.9 | V159 R160 N161 E232 | V159-I230 CarbonylContact C-O 3.57Å; V159-I230 WeakPolarHBondContact CA-O 3.15Å; R160-I230 HydrophobicContact CB-CB 4.26Å; R160-I230 PolarHBondContact N-O 2.91Å; R160-I230 PolarHBondContact O-N 3.09Å; N161-I230 HydrophobicContact CB-CD1 4.09Å; N161-I230 HydrophobicContact CB-CG1 4.12Å; I230-E232 HydrophobicContact CG2-CG 4.5Å |
| 231 | V | 96.2 | Very high | 89.8 | Confident | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.012 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.8 | -177.2 | -176 | 0 | 0 | 0 | 0 | 109.8 | L157 F175 L212 C215 | L157-V231 HydrophobicContact CB-CG1 4.03Å; L157-V231 HydrophobicContact CD1-CG1 3.66Å; L157-V231 HydrophobicContact CG-CG1 4.3Å; F175-V231 HydrophobicContact CE1-CG1 4.45Å; F175-V231 HydrophobicContact CE1-CG2 3.93Å; F175-V231 HydrophobicContact CZ-CG2 3.77Å; L212-V231 HydrophobicContact CD1-CB 4.46Å; L212-V231 HydrophobicContact CD1-CG1 4.1Å; L212-V231 VanDerWaalsContact CD1-O 3.23Å; L212-V231 WeakPolarHBondContact CD1-O 3.49Å; C215-V231 HydrophobicContact CB-CB 3.95Å; C215-V231 HydrophobicContact CB-CG2 3.57Å |
| 232 | E | 95.1 | Very high | 89.5 | Confident | 56 Ų | 56 | 74.2 Ų | 74.2 | 26% | 0.262 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 150.5 | -180 | -66.3 | 173.8 | 155.4 | 0 | 0 | 109.7 | L157 K158 R160 I230 M234 | L157-E232 CarbonylContact C-O 3.58Å; L157-E232 WeakPolarHBondContact CA-O 3.4Å; K158-E232 HydrophobicContact CB-CB 4.43Å; K158-E232 PolarHBondContact N-O 3.44Å; K158-E232 IonicContact NZ-OE2 3.85Å; K158-E232 PolarHBondContact O-N 3.35Å; R160-E232 WeakPolarHBondContact CD-OE2 3.38Å; R160-E232 IonicContact CZ-OE1 2.69Å; R160-E232 VanDerWaalsContact CZ-OE1 3.25Å; R160-E232 IonicContact CZ-OE2 2.78Å; R160-E232 IonicContact NE-OE1 2.69Å; R160-E232 PolarHBondContact NE-OE1 2.69Å; R160-E232 IonicContact NE-OE2 3.33Å; R160-E232 PolarHBondContact NE-OE2 2.78Å; R160-E232 IonicContact NH2-OE1 3.81Å; R160-E232 PolarHBondContact NH2-OE1 2.93Å; R160-E232 IonicContact NH2-OE2 3.04Å; I230-E232 HydrophobicContact CG2-CG 4.5Å; E232-M234 PolarHBondContact O-N 2.91Å |
| 233 | P | 94.5 | Very high | 89.3 | Confident | 83 Ų | 83 | 79.2 Ų | 79.2 | 54% | 0.539 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 138.2 | 164.4 | -20 | 32.6 | 0 | 0 | 0 | 110.1 | L212 E235 | L212-P233 HydrophobicContact CD1-CG 4.48Å; L212-P233 HydrophobicContact CD2-CG 3.93Å; P233-E235 PolarHBondContact O-N 3.3Å |
| 234 | M | 91.8 | Very high | 89.1 | Confident | 81 Ų | 81 | 79.6 Ų | 79.6 | 40% | 0.399 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 117.4 | 172.5 | -170.8 | 170 | -175.7 | 0 | 0 | 109.7 | A156 I199 E232 H236 | A156-M234 HydrophobicContact CB-CB 3.78Å; A156-M234 HydrophobicContact CB-CG 4.38Å; A156-M234 HydrophobicContact CB-SD 3.9Å; A156-M234 WeakPolarHBondContact O-CB 3.35Å; A156-M234 PolarHBondContact O-N 2.83Å; I199-M234 HydrophobicContact CD1-CE 4.04Å; I199-M234 HydrophobicContact CG2-CE 4.5Å; I199-M234 HydrophobicContact CG2-SD 3.83Å; E232-M234 PolarHBondContact O-N 2.91Å; M234-H236 PolarHBondContact O-N 3.05Å |
| 235 | E | 88.2 | Confident | 89.2 | Confident | 161 Ų | 161 | 76.2 Ų | 76.2 | 75% | 0.752 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 128.3 | 167.4 | -68.4 | 179.7 | 170.2 | 0 | 0 | 109.3 | P233 | P233-E235 PolarHBondContact O-N 3.3Š|
| 236 | H | 84.3 | Confident | 89.3 | Confident | 122 Ų | 122 | 82.4 Ų | 82.4 | 57% | 0.565 | 44% | 0.435 | S | S | * | . | trans | -102.7 | 113 | 175.6 | -177.7 | 64.6 | 0 | 0 | 0 | 109.1 | T152 M234 | T152-H236 VanDerWaalsContact CG2-CD2 3.47Å; T152-H236 WeakPolarHBondContact CG2-CD2 3.24Å; M234-H236 PolarHBondContact O-N 3.05Å | ||
| 237 | L | 86.4 | Confident | 89.3 | Confident | 129 Ų | 129 | 84.2 Ų | 84.2 | 68% | 0.675 | 44% | 0.441 | S | S | * | . | trans | -108.2 | 138.1 | 175.6 | -56.8 | 176.6 | 0 | 0 | 0 | 108.1 | D239 | L237-D239 PolarHBondContact O-N 3.33Š| ||
| 238 | D | 83.3 | Confident | 89.5 | Confident | 72 Ų | 72 | 85.6 Ų | 85.6 | 39% | 0.385 | 45% | 0.446 | S | S | . | . | trans | -89.5 | 92.7 | 177.3 | -175 | -5.8 | 0 | 0 | 0 | 108.6 | R149 E240 D241 | R149-D238 IonicContact CZ-OD2 3.81Å; R149-D238 IonicContact NH1-OD2 2.74Å; R149-D238 PolarHBondContact NH1-OD2 2.65Å; R149-D238 IonicContact NH2-OD2 3.26Å; D238-E240 PolarHBondContact OD1-N 3.47Å; D238-D241 PolarHBondContact OD1-N 3.26Å | ||
| 239 | D | 84.6 | Confident | 89.5 | Confident | 148 Ų | 148 | 87.2 Ų | 87.2 | 79% | 0.791 | 46% | 0.457 | S | S | * | . | trans | -91.2 | -4.3 | 176.8 | 58.6 | -21.1 | 0 | 0 | 0 | 113.5 | L237 | L237-D239 PolarHBondContact O-N 3.33Š| ||
| 240 | E | 82.9 | Confident | 89.6 | Confident | 132 Ų | 132 | 93.5 Ų | 93.5 | 62% | 0.617 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -91.5 | -55.8 | -177.7 | -71.4 | -95 | 118.4 | 0 | 0 | 112.3 | K133 D238 | K133-E240 IonicContact NZ-OE2 2.65Å; K133-E240 PolarHBondContact NZ-OE2 3.03Å; D238-E240 PolarHBondContact OD1-N 3.47Å |
| 241 | D | 83.1 | Confident | 89.6 | Confident | 49 Ų | 49 | 93.5 Ų | 93.5 | 26% | 0.262 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -92 | -24.1 | -173.8 | -77.5 | 32.2 | 0 | 0 | 0 | 112.3 | K133 R149 D238 P244 | K133-D241 IonicContact NZ-OD1 2.98Å; R149-D241 IonicContact CZ-OD2 3.97Å; R149-D241 IonicContact NE-OD2 2.66Å; R149-D241 PolarHBondContact NE-OD2 2.8Å; R149-D241 VanDerWaalsContact NH2-CG 3.34Å; R149-D241 IonicContact NH2-OD2 3.03Å; R149-D241 PolarHBondContact NH2-OD2 2.81Å; D238-D241 PolarHBondContact OD1-N 3.26Å; D241-P244 WeakPolarHBondContact O-CD 3.41Å; D241-P244 WeakPolarHBondContact O-CG 3.28Å |
| 242 | G | 87.8 | Confident | 89.7 | Confident | 43 Ų | 43 | 98.9 Ų | 98.9 | 44% | 0.443 | 52% | 0.522 | S | S | . | . | trans | 56.6 | -141.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P244 | G242-P244 WeakPolarHBondContact O-CD 3.37Š| ||
| 243 | L | 88.4 | Confident | 89.7 | Confident | 130 Ų | 130 | 103 Ų | 103 | 68% | 0.681 | 54% | 0.539 | S | S | * | . | trans | -122.1 | 82.1 | 179.1 | -170.4 | 68 | 0 | 0 | 0 | 111.7 | I247 L248 | L243-I247 HydrophobicContact CD1-CD1 4.03Å; L243-I247 HydrophobicContact CD1-CG1 4.49Å; L243-L248 HydrophobicContact CD2-CD2 3.95Å; L243-L248 HydrophobicContact CG-CD2 4.17Å | ||
| 244 | P | 90.1 | Very high | 89.7 | Confident | 43 Ų | 43 | 101.2 Ų | 101.2 | 28% | 0.279 | 52% | 0.522 | S | S | . | . | trans | -65.2 | 143.7 | -177.3 | -26 | 36.6 | 0 | 0 | 0 | 114.3 | D241 G242 K246 I247 | D241-P244 WeakPolarHBondContact O-CD 3.41Å; D241-P244 WeakPolarHBondContact O-CG 3.28Å; G242-P244 WeakPolarHBondContact O-CD 3.37Å; P244-K246 HydrophobicContact CB-CG 4.01Å; P244-K246 PolarHBondContact O-N 3.25Å; P244-K246 VanDerWaalsContact O-N 3.1Å; P244-I247 HydrophobicContact CB-CG1 4.49Å; P244-I247 WeakPolarHBondContact O-CG1 3.45Å; P244-I247 PolarHBondContact O-N 3.22Å | ||
| 245 | E | 90.8 | Very high | 89.9 | Confident | 79 Ų | 79 | 103.5 Ų | 103.5 | 37% | 0.369 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -50.8 | -40.3 | 178.3 | -171.5 | 58 | -138.4 | 0 | 0 | 113.7 | I247 L248 Y254 R258 | E245-I247 PolarHBondContact O-N 2.9Å; E245-I247 VanDerWaalsContact O-N 3.11Å; E245-L248 PolarHBondContact O-N 2.81Å; E245-L248 VanDerWaalsContact O-N 3.1Å; E245-Y254 VanDerWaalsContact OE1-CE2 3.24Å; E245-Y254 WeakPolarHBondContact OE1-CE2 3.39Å; E245-Y254 PolarHBondContact OE1-OH 3Å; E245-R258 IonicContact OE1-CZ 3.92Å; E245-R258 IonicContact OE1-NH1 2.73Å; E245-R258 PolarHBondContact OE1-NH1 2.91Å; E245-R258 IonicContact OE1-NH2 3.17Å; E245-R258 IonicContact OE2-CZ 2.82Å; E245-R258 IonicContact OE2-NH1 3.64Å; E245-R258 PolarHBondContact OE2-NH1 2.97Å; E245-R258 IonicContact OE2-NH2 2.75Å; E245-R258 PolarHBondContact OE2-NH2 2.91Å |
| 246 | K | 90.3 | Very high | 90.3 | Very high | 190 Ų | 190 | 102.5 Ų | 102.5 | 83% | 0.826 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -61.3 | -18.4 | -177.7 | 65.5 | -172.9 | 177.6 | -173.8 | 0 | 114.7 | P244 | P244-K246 HydrophobicContact CB-CG 4.01Å; P244-K246 PolarHBondContact O-N 3.25Å; P244-K246 VanDerWaalsContact O-N 3.1Å |
| 247 | I | 88.8 | Confident | 90.8 | Very high | 99 Ų | 99 | 102.8 Ų | 102.8 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -103.8 | -3.5 | 177.9 | 61.6 | 163 | 0 | 0 | 0 | 113.7 | L243 P244 E245 | L243-I247 HydrophobicContact CD1-CD1 4.03Å; L243-I247 HydrophobicContact CD1-CG1 4.49Å; P244-I247 HydrophobicContact CB-CG1 4.49Å; P244-I247 WeakPolarHBondContact O-CG1 3.45Å; P244-I247 PolarHBondContact O-N 3.22Å; E245-I247 PolarHBondContact O-N 2.9Å; E245-I247 VanDerWaalsContact O-N 3.11Å |
| 248 | L | 91.3 | Very high | 91.3 | Very high | 48 Ų | 48 | 102.7 Ų | 102.7 | 25% | 0.251 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -72.8 | 131 | 179 | -76.7 | 174.4 | 0 | 0 | 0 | 111.7 | L243 E245 K250 Y254 | L243-L248 HydrophobicContact CD2-CD2 3.95Å; L243-L248 HydrophobicContact CG-CD2 4.17Å; E245-L248 PolarHBondContact O-N 2.81Å; E245-L248 VanDerWaalsContact O-N 3.1Å; L248-K250 PolarHBondContact O-N 2.74Å; L248-Y254 HydrophobicContact CD1-CE2 4.28Å |
| 249 | P | 93.1 | Very high | 91.8 | Very high | 93 Ų | 93 | 105.8 Ų | 105.8 | 60% | 0.604 | 52% | 0.524 | S | S | * | . | trans | -71.9 | 115.9 | 174.4 | 29.3 | -33.2 | 0 | 0 | 0 | 110 | T251 | P249-T251 HydrophobicContact CB-CG2 4.32Å; P249-T251 PolarHBondContact O-N 2.62Å | ||
| 250 | K | 95.2 | Very high | 92.3 | Very high | 139 Ų | 139 | 103.8 Ų | 103.8 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | trans | -74 | 61.5 | -178.2 | -61.4 | -174.8 | -179.6 | -177.2 | 0 | 112.8 | L248 Y254 Y255 | L248-K250 PolarHBondContact O-N 2.74Å; K250-Y254 HydrophobicContact CB-CD1 4.21Å; K250-Y254 HydrophobicContact CG-CD1 4.31Å; K250-Y254 HydrophobicContact CG-CE1 4.2Å; K250-Y255 HydrophobicContact CB-CE2 3.97Å; K250-Y255 WeakPolarHBondContact O-CE2 3.37Å | ||
| 251 | T | 96.4 | Very high | 92.9 | Very high | 64 Ų | 64 | 101.5 Ų | 101.5 | 39% | 0.393 | 51% | 0.507 | S | S | . | . | trans | -71.2 | 163.4 | 176 | 60.5 | 0 | 0 | 0 | 0 | 111.7 | P249 K253 Y254 Y255 | P249-T251 HydrophobicContact CB-CG2 4.32Å; P249-T251 PolarHBondContact O-N 2.62Å; T251-K253 PolarHBondContact O-N 3.01Å; T251-Y254 WeakPolarHBondContact O-CB 3.37Å; T251-Y254 PolarHBondContact O-N 2.84Å; T251-Y254 PolarHBondContact OG1-N 2.79Å; T251-Y255 VanDerWaalsContact O-CD2 3.31Å; T251-Y255 WeakPolarHBondContact O-CD2 3.48Å; T251-Y255 PolarHBondContact O-N 2.81Å | ||
| 252 | P | 96.8 | Very high | 93.6 | Very high | 116 Ų | 116 | 105.9 Ų | 105.9 | 75% | 0.753 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55.8 | -34.7 | 172 | -27 | 36 | 0 | 0 | 0 | 113.2 | Y255 K256 | P252-Y255 PolarHBondContact O-N 2.82Å; P252-K256 PolarHBondContact O-N 3.05Å |
| 253 | K | 95.7 | Very high | 93.9 | Very high | 142 Ų | 142 | 109.4 Ų | 109.4 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.4 | -46.3 | 173.4 | -174 | 177.5 | -180 | -178 | 0 | 111.5 | T251 Y255 K256 E257 | T251-K253 PolarHBondContact O-N 3.01Å; K253-Y255 VanDerWaalsContact C-N 3.26Å; K253-Y255 PolarHBondContact O-N 3Å; K253-K256 PolarHBondContact O-N 3.22Å; K253-K256 VanDerWaalsContact O-N 3.16Å; K253-E257 WeakPolarHBondContact CE-OE1 3.37Å; K253-E257 HydrophobicContact CG-CG 3.94Å; K253-E257 VanDerWaalsContact O-CG 3.28Å; K253-E257 WeakPolarHBondContact O-CG 3.4Å; K253-E257 PolarHBondContact O-N 3.45Å |
| 254 | Y | 95.1 | Very high | 94.3 | Very high | 45 Ų | 45 | 112.7 Ų | 112.7 | 18% | 0.176 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -53.7 | -42.9 | 177.7 | 159.2 | -82.5 | 0 | 0 | 0 | 112.2 | E245 L248 K250 T251 R258 | E245-Y254 VanDerWaalsContact OE1-CE2 3.24Å; E245-Y254 WeakPolarHBondContact OE1-CE2 3.39Å; E245-Y254 PolarHBondContact OE1-OH 3Å; L248-Y254 HydrophobicContact CD1-CE2 4.28Å; K250-Y254 HydrophobicContact CB-CD1 4.21Å; K250-Y254 HydrophobicContact CG-CD1 4.31Å; K250-Y254 HydrophobicContact CG-CE1 4.2Å; T251-Y254 WeakPolarHBondContact O-CB 3.37Å; T251-Y254 PolarHBondContact O-N 2.84Å; T251-Y254 PolarHBondContact OG1-N 2.79Å; Y254-R258 WeakPolarHBondContact O-CG 3.33Å; Y254-R258 PolarHBondContact OH-NH1 3.45Å |
| 255 | Y | 95.9 | Very high | 94.6 | Very high | 130 Ų | 130 | 112 Ų | 112 | 51% | 0.51 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.8 | -45.3 | 177.7 | -68.4 | -71.5 | 0 | 0 | 0 | 111.8 | K250 T251 P252 K253 E257 R258 E259 | K250-Y255 HydrophobicContact CB-CE2 3.97Å; K250-Y255 WeakPolarHBondContact O-CE2 3.37Å; T251-Y255 VanDerWaalsContact O-CD2 3.31Å; T251-Y255 WeakPolarHBondContact O-CD2 3.48Å; T251-Y255 PolarHBondContact O-N 2.81Å; P252-Y255 PolarHBondContact O-N 2.82Å; K253-Y255 VanDerWaalsContact C-N 3.26Å; K253-Y255 PolarHBondContact O-N 3Å; Y255-E257 PolarHBondContact O-N 2.91Å; Y255-R258 CarbonylContact O-C 3.58Å; Y255-R258 WeakPolarHBondContact O-CA 3.5Å; Y255-R258 PolarHBondContact O-N 2.7Å; Y255-E259 PolarHBondContact O-N 3.49Å |
| 256 | K | 96.8 | Very high | 94.8 | Very high | 140 Ų | 140 | 115 Ų | 115 | 61% | 0.609 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -57.3 | -46.9 | 179.3 | -172.6 | -177 | 178.6 | -175.4 | 0 | 112.9 | P252 K253 R258 E259 | P252-K256 PolarHBondContact O-N 3.05Å; K253-K256 PolarHBondContact O-N 3.22Å; K253-K256 VanDerWaalsContact O-N 3.16Å; K256-R258 PolarHBondContact O-N 3.41Å; K256-R258 VanDerWaalsContact O-N 3.16Å; K256-E259 PolarHBondContact O-N 3.22Å |
| 257 | E | 95.1 | Very high | 95.1 | Very high | 128 Ų | 128 | 111 Ų | 111 | 60% | 0.598 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -13.6 | 177.9 | -57.2 | -69.3 | 172.1 | 0 | 0 | 112.6 | K253 Y255 | K253-E257 WeakPolarHBondContact CE-OE1 3.37Å; K253-E257 HydrophobicContact CG-CG 3.94Å; K253-E257 VanDerWaalsContact O-CG 3.28Å; K253-E257 WeakPolarHBondContact O-CG 3.4Å; K253-E257 PolarHBondContact O-N 3.45Å; Y255-E257 PolarHBondContact O-N 2.91Å |
| 258 | R | 95.3 | Very high | 95.4 | Very high | 127 Ų | 127 | 109.8 Ų | 109.8 | 48% | 0.479 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.1 | 6.1 | 179.7 | -69.2 | -170.4 | 173.4 | -158.6 | -0.8 | 114.6 | E245 Y254 Y255 K256 Q260 | E245-R258 IonicContact OE1-CZ 3.92Å; E245-R258 IonicContact OE1-NH1 2.73Å; E245-R258 PolarHBondContact OE1-NH1 2.91Å; E245-R258 IonicContact OE1-NH2 3.17Å; E245-R258 IonicContact OE2-CZ 2.82Å; E245-R258 IonicContact OE2-NH1 3.64Å; E245-R258 PolarHBondContact OE2-NH1 2.97Å; E245-R258 IonicContact OE2-NH2 2.75Å; E245-R258 PolarHBondContact OE2-NH2 2.91Å; Y254-R258 WeakPolarHBondContact O-CG 3.33Å; Y254-R258 PolarHBondContact OH-NH1 3.45Å; Y255-R258 CarbonylContact O-C 3.58Å; Y255-R258 WeakPolarHBondContact O-CA 3.5Å; Y255-R258 PolarHBondContact O-N 2.7Å; K256-R258 PolarHBondContact O-N 3.41Å; K256-R258 VanDerWaalsContact O-N 3.16Å; R258-Q260 PolarHBondContact O-N 2.99Å |
| 259 | E | 95.6 | Very high | 95.7 | Very high | 137 Ų | 137 | 109.6 Ų | 109.6 | 64% | 0.64 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -58.2 | -30.3 | 170.3 | -74.6 | 171.8 | -163.7 | 0 | 0 | 111.6 | Y255 K256 | Y255-E259 PolarHBondContact O-N 3.49Å; K256-E259 PolarHBondContact O-N 3.22Å |
| 260 | Q | 93.5 | Very high | 95.8 | Very high | 106 Ų | 106 | 112.8 Ų | 112.8 | 50% | 0.495 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -110.5 | 130.1 | 179.7 | -61.3 | -67.9 | -27.6 | 0 | 0 | 111.2 | R258 | R258-Q260 PolarHBondContact O-N 2.99Š|
| 261 | P | 95.5 | Very high | 95.9 | Very high | 84 Ų | 84 | 110.1 Ų | 110.1 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | trans | -72.1 | 165.5 | 176.4 | 31.1 | -35.5 | 0 | 0 | 0 | 112.1 | R263 | P261-R263 PolarHBondContact O-N 3.03Å; P261-R263 PolarHBondContact O-NH1 2.66Å; P261-R263 VanDerWaalsContact O-NH1 3.15Å | ||
| 262 | P | 97.6 | Very high | 95.9 | Very high | 141 Ų | 141 | 110.8 Ų | 110.8 | 92% | 0.916 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -54.6 | 120.7 | 169.9 | -24.1 | 34.5 | 0 | 0 | 0 | 110.9 | ||
| 263 | R | 95.3 | Very high | 96 | Very high | 117 Ų | 117 | 110.3 Ų | 110.3 | 44% | 0.442 | 55% | 0.545 | S | S | . | . | trans | -151.1 | 161.3 | -176.9 | 73.3 | -164.9 | 173.2 | -69.3 | 5.2 | 110.3 | P261 E271 | P261-R263 PolarHBondContact O-N 3.03Å; P261-R263 PolarHBondContact O-NH1 2.66Å; P261-R263 VanDerWaalsContact O-NH1 3.15Å; R263-E271 IonicContact CZ-OE1 3.43Å; R263-E271 IonicContact CZ-OE2 3.53Å; R263-E271 IonicContact NE-OE2 3.25Å; R263-E271 PolarHBondContact NE-OE2 3.08Å; R263-E271 IonicContact NH2-OE1 3.29Å; R263-E271 PolarHBondContact NH2-OE1 2.84Å; R263-E271 IonicContact NH2-OE2 3.83Å; R263-E271 PolarHBondContact NH2-OE2 3.47Å | ||
| 264 | F | 96.6 | Very high | 96 | Very high | 199 Ų | 199 | 109.4 Ų | 109.4 | 87% | 0.873 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 135.2 | 161.4 | -66.1 | -76.1 | 0 | 0 | 0 | 109.6 | ||
| 265 | A | 96.6 | Very high | 96.1 | Very high | 29 Ų | 29 | 109.2 Ų | 109.2 | 24% | 0.24 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 135.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | E271 F272 | A265-E271 HydrophobicContact CB-CB 4.18Å; A265-F272 HydrophobicContact CB-CB 3.87Å; A265-F272 HydrophobicContact CB-CD2 4.27Å; A265-F272 WeakPolarHBondContact O-CD2 3.11Å |
| 266 | Q | 95.2 | Very high | 96.2 | Very high | 142 Ų | 142 | 105.3 Ų | 105.3 | 66% | 0.664 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -83.3 | 133.5 | -176.2 | -66.2 | -176.7 | 1.5 | 0 | 0 | 110.8 | G268 T269 F272 | Q266-G268 PolarHBondContact O-N 2.86Å; Q266-T269 HydrophobicContact CB-CG2 3.93Å; Q266-T269 WeakPolarHBondContact O-CB 3.36Å; Q266-T269 WeakPolarHBondContact O-CG2 3.36Å; Q266-T269 PolarHBondContact O-N 3.46Å; Q266-T269 VanDerWaalsContact O-N 3.1Å; Q266-T269 PolarHBondContact O-OG1 3.06Å; Q266-F272 WeakPolarHBondContact O-CB 3.46Å |
| 267 | P | 96.6 | Very high | 96.2 | Very high | 105 Ų | 105 | 107.1 Ų | 107.1 | 68% | 0.682 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 137.7 | 174.9 | -27.2 | 35.4 | 0 | 0 | 0 | 112.3 | T269 F272 | P267-T269 VanDerWaalsContact C-N 3.34Å; P267-F272 HydrophobicContact CG-CD2 4.44Å; P267-F272 HydrophobicContact CG-CE2 4.17Å; P267-F272 HydrophobicContact CG-CZ 4.38Å |
| 268 | G | 94.6 | Very high | 96.4 | Very high | 74 Ų | 74 | 107.7 Ų | 107.7 | 76% | 0.763 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 2.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q266 | Q266-G268 PolarHBondContact O-N 2.86Š|
| 269 | T | 96.9 | Very high | 96.5 | Very high | 44 Ų | 44 | 109.2 Ų | 109.2 | 27% | 0.27 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -94.8 | 152.3 | 169.4 | 65.7 | 0 | 0 | 0 | 0 | 111.8 | Q266 P267 E271 F272 E273 | Q266-T269 HydrophobicContact CB-CG2 3.93Å; Q266-T269 WeakPolarHBondContact O-CB 3.36Å; Q266-T269 WeakPolarHBondContact O-CG2 3.36Å; Q266-T269 PolarHBondContact O-N 3.46Å; Q266-T269 VanDerWaalsContact O-N 3.1Å; Q266-T269 PolarHBondContact O-OG1 3.06Å; P267-T269 VanDerWaalsContact C-N 3.34Å; T269-E271 PolarHBondContact O-N 3.02Å; T269-F272 PolarHBondContact O-N 2.77Å; T269-F272 PolarHBondContact OG1-N 3.31Å; T269-E273 PolarHBondContact O-N 2.66Å; T269-E273 VanDerWaalsContact O-N 3.1Å |
| 270 | F | 96.1 | Very high | 96.6 | Very high | 159 Ų | 159 | 105.7 Ų | 105.7 | 70% | 0.697 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -54.2 | -38.6 | 172 | 173.4 | -97.6 | 0 | 0 | 0 | 112.5 | F272 E273 Y274 | F270-F272 VanDerWaalsContact C-N 3.32Å; F270-F272 PolarHBondContact O-N 3.09Å; F270-E273 PolarHBondContact O-N 3.37Å; F270-Y274 WeakPolarHBondContact O-CB 3.32Å; F270-Y274 PolarHBondContact O-N 3.47Å |
| 271 | E | 95.8 | Very high | 96.8 | Very high | 84 Ų | 84 | 104.6 Ų | 104.6 | 39% | 0.393 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 177.2 | -58 | -170.3 | 149.3 | 0 | 0 | 111.9 | R263 A265 T269 A275 | R263-E271 IonicContact CZ-OE1 3.43Å; R263-E271 IonicContact CZ-OE2 3.53Å; R263-E271 IonicContact NE-OE2 3.25Å; R263-E271 PolarHBondContact NE-OE2 3.08Å; R263-E271 IonicContact NH2-OE1 3.29Å; R263-E271 PolarHBondContact NH2-OE1 2.84Å; R263-E271 IonicContact NH2-OE2 3.83Å; R263-E271 PolarHBondContact NH2-OE2 3.47Å; A265-E271 HydrophobicContact CB-CB 4.18Å; T269-E271 PolarHBondContact O-N 3.02Å; E271-A275 WeakPolarHBondContact O-CB 3.39Å; E271-A275 PolarHBondContact O-N 3.41Å |
| 272 | F | 97.8 | Very high | 96.9 | Very high | 78 Ų | 78 | 105.7 Ų | 105.7 | 34% | 0.342 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69 | -45.7 | 178.1 | -179.8 | -90.2 | 0 | 0 | 0 | 111.5 | A265 Q266 P267 T269 F270 Y274 A275 S276 | A265-F272 HydrophobicContact CB-CB 3.87Å; A265-F272 HydrophobicContact CB-CD2 4.27Å; A265-F272 WeakPolarHBondContact O-CD2 3.11Å; Q266-F272 WeakPolarHBondContact O-CB 3.46Å; P267-F272 HydrophobicContact CG-CD2 4.44Å; P267-F272 HydrophobicContact CG-CE2 4.17Å; P267-F272 HydrophobicContact CG-CZ 4.38Å; T269-F272 PolarHBondContact O-N 2.77Å; T269-F272 PolarHBondContact OG1-N 3.31Å; F270-F272 VanDerWaalsContact C-N 3.32Å; F270-F272 PolarHBondContact O-N 3.09Å; F272-Y274 VanDerWaalsContact C-N 3.3Å; F272-Y274 PolarHBondContact O-N 3.11Å; F272-A275 PolarHBondContact O-N 3.42Å; F272-S276 WeakPolarHBondContact O-CB 3.42Å; F272-S276 PolarHBondContact O-N 2.65Å; F272-S276 PolarHBondContact O-OG 2.93Å |
| 273 | E | 97.6 | Very high | 96.9 | Very high | 105 Ų | 105 | 102.5 Ų | 102.5 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 176.3 | -68.2 | -173 | -177.5 | 0 | 0 | 112.2 | T269 F270 R277 | T269-E273 PolarHBondContact O-N 2.66Å; T269-E273 VanDerWaalsContact O-N 3.1Å; F270-E273 PolarHBondContact O-N 3.37Å; E273-R277 WeakPolarHBondContact O-CG 3.31Å; E273-R277 PolarHBondContact O-N 3.48Å |
| 274 | Y | 97.2 | Very high | 97.1 | Very high | 124 Ų | 124 | 101.1 Ų | 101.1 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68 | -45.4 | 177.8 | -169 | -111.2 | 0 | 0 | 0 | 111.8 | F270 F272 S276 R277 W278 | F270-Y274 WeakPolarHBondContact O-CB 3.32Å; F270-Y274 PolarHBondContact O-N 3.47Å; F272-Y274 VanDerWaalsContact C-N 3.3Å; F272-Y274 PolarHBondContact O-N 3.11Å; Y274-S276 VanDerWaalsContact C-N 3.32Å; Y274-S276 PolarHBondContact O-N 2.76Å; Y274-R277 PolarHBondContact O-N 3.28Å; Y274-W278 AromaticContact CD1-CD1 3.77Å; Y274-W278 AromaticContact CD1-NE1 3.84Å; Y274-W278 AromaticContact CE1-CD1 3.51Å; Y274-W278 AromaticContact CE1-NE1 3.08Å; Y274-W278 AromaticContact CE2-NE1 3.98Å; Y274-W278 AromaticContact CZ-CD1 3.83Å; Y274-W278 AromaticContact CZ-NE1 3.15Å; Y274-W278 PolarHBondContact O-N 2.89Å; Y274-W278 PolarHBondContact OH-NE1 2.9Å; Y274-W278 VanDerWaalsContact OH-NE1 3.15Å |
| 275 | A | 97.5 | Very high | 97.1 | Very high | 40 Ų | 40 | 97.5 Ų | 97.5 | 33% | 0.331 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -35.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E271 F272 W278 K279 | E271-A275 WeakPolarHBondContact O-CB 3.39Å; E271-A275 PolarHBondContact O-N 3.41Å; F272-A275 PolarHBondContact O-N 3.42Å; A275-W278 PolarHBondContact O-N 3.21Å; A275-K279 PolarHBondContact O-N 3.37Å |
| 276 | S | 96.9 | Very high | 97.1 | Very high | 48 Ų | 48 | 100.5 Ų | 100.5 | 34% | 0.336 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 173.6 | -76.3 | 0 | 0 | 0 | 0 | 112.5 | F272 Y274 K279 A280 | F272-S276 WeakPolarHBondContact O-CB 3.42Å; F272-S276 PolarHBondContact O-N 2.65Å; F272-S276 PolarHBondContact O-OG 2.93Å; Y274-S276 VanDerWaalsContact C-N 3.32Å; Y274-S276 PolarHBondContact O-N 2.76Å; S276-K279 PolarHBondContact O-N 2.75Å; S276-A280 PolarHBondContact O-N 2.88Å |
| 277 | R | 97.8 | Very high | 97.3 | Very high | 178 Ų | 178 | 98.7 Ų | 98.7 | 67% | 0.672 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.9 | -39 | 172.2 | -68 | 177.8 | -168.3 | -170.5 | 6 | 112 | E273 Y274 A280 L281 | E273-R277 WeakPolarHBondContact O-CG 3.31Å; E273-R277 PolarHBondContact O-N 3.48Å; Y274-R277 PolarHBondContact O-N 3.28Å; R277-A280 PolarHBondContact O-N 2.84Å; R277-L281 PolarHBondContact O-N 3.04Å |
| 278 | W | 97.7 | Very high | 97.3 | Very high | 141 Ų | 141 | 99.2 Ų | 99.2 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 172.3 | -86.3 | 97.8 | 0 | 0 | 0 | 112.6 | Y274 A275 A280 L281 D282 | Y274-W278 AromaticContact CD1-CD1 3.77Å; Y274-W278 AromaticContact CD1-NE1 3.84Å; Y274-W278 AromaticContact CE1-CD1 3.51Å; Y274-W278 AromaticContact CE1-NE1 3.08Å; Y274-W278 AromaticContact CE2-NE1 3.98Å; Y274-W278 AromaticContact CZ-CD1 3.83Å; Y274-W278 AromaticContact CZ-NE1 3.15Å; Y274-W278 PolarHBondContact O-N 2.89Å; Y274-W278 PolarHBondContact OH-NE1 2.9Å; Y274-W278 VanDerWaalsContact OH-NE1 3.15Å; A275-W278 PolarHBondContact O-N 3.21Å; W278-A280 VanDerWaalsContact C-N 3.34Å; W278-A280 PolarHBondContact O-N 2.98Å; W278-L281 HydrophobicContact CE3-CD2 4.09Å; W278-L281 HydrophobicContact CZ3-CD2 4.05Å; W278-L281 WeakPolarHBondContact O-CB 3.48Å; W278-L281 PolarHBondContact O-N 3.16Å; W278-D282 PolarHBondContact O-N 3.02Å |
| 279 | K | 97.8 | Very high | 97.4 | Very high | 159 Ų | 159 | 103.2 Ų | 103.2 | 69% | 0.691 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.8 | -36.7 | 173.3 | -74.3 | -173.4 | 173.2 | -170 | 0 | 113.2 | A275 S276 L281 E283 | A275-K279 PolarHBondContact O-N 3.37Å; S276-K279 PolarHBondContact O-N 2.75Å; K279-L281 VanDerWaalsContact C-N 3.32Å; K279-E283 WeakPolarHBondContact O-CB 3.48Å; K279-E283 PolarHBondContact O-N 3.24Å |
| 280 | A | 97.8 | Very high | 97.4 | Very high | 63 Ų | 63 | 105.6 Ų | 105.6 | 52% | 0.521 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.6 | -32.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S276 R277 W278 M284 | S276-A280 PolarHBondContact O-N 2.88Å; R277-A280 PolarHBondContact O-N 2.84Å; W278-A280 VanDerWaalsContact C-N 3.34Å; W278-A280 PolarHBondContact O-N 2.98Å; A280-M284 VanDerWaalsContact O-CB 3.3Å; A280-M284 WeakPolarHBondContact O-CB 3.48Å; A280-M284 PolarHBondContact O-N 3.06Å; A280-M284 VanDerWaalsContact O-N 3.09Å |
| 281 | L | 97.9 | Very high | 97.4 | Very high | 83 Ų | 83 | 101.7 Ų | 101.7 | 44% | 0.435 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.1 | -47.3 | 173.7 | -167 | 82.6 | 0 | 0 | 0 | 111.6 | R277 W278 K279 M284 E285 | R277-L281 PolarHBondContact O-N 3.04Å; W278-L281 HydrophobicContact CE3-CD2 4.09Å; W278-L281 HydrophobicContact CZ3-CD2 4.05Å; W278-L281 WeakPolarHBondContact O-CB 3.48Å; W278-L281 PolarHBondContact O-N 3.16Å; K279-L281 VanDerWaalsContact C-N 3.32Å; L281-M284 HydrophobicContact CD1-CE 3.78Å; L281-M284 WeakPolarHBondContact O-CB 3.44Å; L281-M284 PolarHBondContact O-N 3.22Å; L281-E285 PolarHBondContact O-N 3.41Å |
| 282 | D | 97.8 | Very high | 97.5 | Very high | 106 Ų | 106 | 101.7 Ų | 101.7 | 57% | 0.567 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.9 | -45.7 | 178 | -179 | 73 | 0 | 0 | 0 | 112.1 | W278 M284 E285 K286 | W278-D282 PolarHBondContact O-N 3.02Å; D282-M284 VanDerWaalsContact C-N 3.34Å; D282-M284 PolarHBondContact O-N 2.87Å; D282-E285 PolarHBondContact O-N 3.43Å; D282-K286 WeakPolarHBondContact O-CB 3.48Å; D282-K286 PolarHBondContact O-N 3.12Å |
| 283 | E | 98.1 | Very high | 97.4 | Very high | 75 Ų | 75 | 101.8 Ų | 101.8 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.8 | -34.2 | 175.9 | -179 | 57.6 | -146.8 | 0 | 0 | 112 | K279 K286 Q287 | K279-E283 WeakPolarHBondContact O-CB 3.48Å; K279-E283 PolarHBondContact O-N 3.24Å; E283-K286 IonicContact OE1-NZ 2.73Å; E283-K286 IonicContact OE2-NZ 3.77Å; E283-K286 PolarHBondContact OE2-NZ 2.95Å; E283-Q287 WeakPolarHBondContact O-CB 3.23Å; E283-Q287 VanDerWaalsContact O-CG 3.22Å; E283-Q287 WeakPolarHBondContact O-CG 3.45Å; E283-Q287 PolarHBondContact O-N 3.39Å; E283-Q287 PolarHBondContact OE1-NE2 3.03Å |
| 284 | M | 97.9 | Very high | 97.3 | Very high | 88 Ų | 88 | 102.6 Ų | 102.6 | 43% | 0.433 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 172.3 | -179.1 | -167 | 67.5 | 0 | 0 | 112.1 | A280 L281 D282 Q287 Q288 | A280-M284 VanDerWaalsContact O-CB 3.3Å; A280-M284 WeakPolarHBondContact O-CB 3.48Å; A280-M284 PolarHBondContact O-N 3.06Å; A280-M284 VanDerWaalsContact O-N 3.09Å; L281-M284 HydrophobicContact CD1-CE 3.78Å; L281-M284 WeakPolarHBondContact O-CB 3.44Å; L281-M284 PolarHBondContact O-N 3.22Å; D282-M284 VanDerWaalsContact C-N 3.34Å; D282-M284 PolarHBondContact O-N 2.87Å; M284-Q287 PolarHBondContact O-N 3.4Å; M284-Q288 WeakPolarHBondContact O-CG 3.49Å; M284-Q288 PolarHBondContact O-N 2.87Å |
| 285 | E | 97.6 | Very high | 97.3 | Very high | 123 Ų | 123 | 100.6 Ų | 100.6 | 58% | 0.575 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.6 | -47.7 | 175.3 | 179.7 | 177.7 | 165.4 | 0 | 0 | 110.5 | L281 D282 Q287 Q288 R289 | L281-E285 PolarHBondContact O-N 3.41Å; D282-E285 PolarHBondContact O-N 3.43Å; E285-Q287 PolarHBondContact O-N 3.15Å; E285-Q288 PolarHBondContact O-N 3.26Å; E285-R289 WeakPolarHBondContact O-CB 3.41Å; E285-R289 PolarHBondContact O-N 3.46Å |
| 286 | K | 97.6 | Very high | 97.2 | Very high | 91 Ų | 91 | 104.1 Ų | 104.1 | 40% | 0.396 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.7 | -47.2 | 175.2 | 178.2 | -176.1 | 155.6 | -144.4 | 0 | 112.2 | D282 E283 Q288 R289 E290 | D282-K286 WeakPolarHBondContact O-CB 3.48Å; D282-K286 PolarHBondContact O-N 3.12Å; E283-K286 IonicContact OE1-NZ 2.73Å; E283-K286 IonicContact OE2-NZ 3.77Å; E283-K286 PolarHBondContact OE2-NZ 2.95Å; K286-Q288 PolarHBondContact O-N 2.93Å; K286-R289 PolarHBondContact O-N 3.06Å; K286-E290 WeakPolarHBondContact CE-OE1 3.23Å; K286-E290 HydrophobicContact CG-CG 4.49Å; K286-E290 WeakPolarHBondContact O-CB 2.9Å; K286-E290 WeakPolarHBondContact O-CG 3.27Å; K286-E290 PolarHBondContact O-N 3.19Å |
| 287 | Q | 97.4 | Very high | 96.9 | Very high | 104 Ų | 104 | 107.5 Ų | 107.5 | 49% | 0.486 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 177.5 | -75.5 | 171.7 | 19.6 | 0 | 0 | 112.6 | E283 M284 E285 Q291 | E283-Q287 WeakPolarHBondContact O-CB 3.23Å; E283-Q287 VanDerWaalsContact O-CG 3.22Å; E283-Q287 WeakPolarHBondContact O-CG 3.45Å; E283-Q287 PolarHBondContact O-N 3.39Å; E283-Q287 PolarHBondContact OE1-NE2 3.03Å; M284-Q287 PolarHBondContact O-N 3.4Å; E285-Q287 PolarHBondContact O-N 3.15Å; Q287-Q291 WeakPolarHBondContact O-CB 3.49Å; Q287-Q291 PolarHBondContact O-N 3.13Å |
| 288 | Q | 97.3 | Very high | 96.8 | Very high | 117 Ų | 117 | 104.5 Ų | 104.5 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 174.1 | -72.2 | -179.7 | 10.3 | 0 | 0 | 111.2 | M284 E285 K286 Q291 V292 | M284-Q288 WeakPolarHBondContact O-CG 3.49Å; M284-Q288 PolarHBondContact O-N 2.87Å; E285-Q288 PolarHBondContact O-N 3.26Å; K286-Q288 PolarHBondContact O-N 2.93Å; Q288-Q291 PolarHBondContact O-N 2.79Å; Q288-V292 WeakPolarHBondContact O-CG2 3.34Å; Q288-V292 PolarHBondContact O-N 3.46Å |
| 289 | R | 97.1 | Very high | 96.7 | Very high | 158 Ų | 158 | 100.6 Ų | 100.6 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.1 | -45.6 | 178.3 | -165 | -174.7 | 177.7 | -61.3 | -16 | 112 | E285 K286 Q291 V292 D293 | E285-R289 WeakPolarHBondContact O-CB 3.41Å; E285-R289 PolarHBondContact O-N 3.46Å; K286-R289 PolarHBondContact O-N 3.06Å; R289-Q291 VanDerWaalsContact C-N 3.35Å; R289-Q291 PolarHBondContact O-N 2.91Å; R289-V292 PolarHBondContact O-N 3.17Å; R289-D293 IonicContact CZ-OD2 3.46Å; R289-D293 IonicContact NH1-OD2 2.7Å; R289-D293 PolarHBondContact NH1-OD2 3.15Å; R289-D293 IonicContact NH2-OD2 3.42Å; R289-D293 WeakPolarHBondContact O-CB 3.41Å; R289-D293 PolarHBondContact O-N 2.74Å |
| 290 | E | 96.4 | Very high | 96.3 | Very high | 93 Ų | 93 | 98.5 Ų | 98.5 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.5 | -32.2 | 176 | -73.5 | 178 | -170.9 | 0 | 0 | 113 | K286 R294 | K286-E290 WeakPolarHBondContact CE-OE1 3.23Å; K286-E290 HydrophobicContact CG-CG 4.49Å; K286-E290 WeakPolarHBondContact O-CB 2.9Å; K286-E290 WeakPolarHBondContact O-CG 3.27Å; K286-E290 PolarHBondContact O-N 3.19Å; E290-R294 WeakPolarHBondContact O-CB 3.47Å; E290-R294 WeakPolarHBondContact O-CG 3.38Å; E290-R294 PolarHBondContact O-N 3.12Å; E290-R294 PolarHBondContact O-NE 2.99Å |
| 291 | Q | 97.4 | Very high | 96 | Very high | 78 Ų | 78 | 100.1 Ų | 100.1 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 173.2 | -173 | 63.4 | 63.9 | 0 | 0 | 111.5 | Q287 Q288 R289 R294 N295 | Q287-Q291 WeakPolarHBondContact O-CB 3.49Å; Q287-Q291 PolarHBondContact O-N 3.13Å; Q288-Q291 PolarHBondContact O-N 2.79Å; R289-Q291 VanDerWaalsContact C-N 3.35Å; R289-Q291 PolarHBondContact O-N 2.91Å; Q291-R294 PolarHBondContact O-N 3.22Å; Q291-R294 VanDerWaalsContact OE1-CZ 3.32Å; Q291-N295 PolarHBondContact NE2-OD1 3.38Å; Q291-N295 WeakPolarHBondContact O-CB 3.46Å; Q291-N295 PolarHBondContact O-N 3.33Å; Q291-N295 PolarHBondContact O-OD1 3.2Å; Q291-N295 VanDerWaalsContact O-OD1 3.08Å |
| 292 | V | 97.6 | Very high | 95.9 | Very high | 84 Ų | 84 | 102.6 Ų | 102.6 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 173.9 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | Q288 R289 R294 N295 I296 | Q288-V292 WeakPolarHBondContact O-CG2 3.34Å; Q288-V292 PolarHBondContact O-N 3.46Å; R289-V292 PolarHBondContact O-N 3.17Å; V292-R294 VanDerWaalsContact C-N 3.29Å; V292-R294 PolarHBondContact O-N 3.07Å; V292-N295 PolarHBondContact O-N 3.4Å; V292-I296 HydrophobicContact CG1-CG1 4.16Å; V292-I296 WeakPolarHBondContact O-CB 3.31Å; V292-I296 VanDerWaalsContact O-CG1 3.29Å; V292-I296 WeakPolarHBondContact O-CG1 3.41Å; V292-I296 PolarHBondContact O-N 2.95Å |
| 293 | D | 94.3 | Very high | 95.6 | Very high | 80 Ų | 80 | 103 Ų | 103 | 43% | 0.428 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 178.1 | -77.7 | -16.7 | 0 | 0 | 0 | 111.6 | R289 K297 | R289-D293 IonicContact CZ-OD2 3.46Å; R289-D293 IonicContact NH1-OD2 2.7Å; R289-D293 PolarHBondContact NH1-OD2 3.15Å; R289-D293 IonicContact NH2-OD2 3.42Å; R289-D293 WeakPolarHBondContact O-CB 3.41Å; R289-D293 PolarHBondContact O-N 2.74Å; D293-K297 WeakPolarHBondContact O-CB 3.46Å; D293-K297 PolarHBondContact O-N 3.37Å |
| 294 | R | 96.1 | Very high | 95.1 | Very high | 122 Ų | 122 | 104.2 Ų | 104.2 | 46% | 0.46 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -50.6 | 172.1 | -80.2 | -176 | -72.6 | 135.9 | -1.1 | 112.7 | E290 Q291 V292 I296 K297 E298 | E290-R294 WeakPolarHBondContact O-CB 3.47Å; E290-R294 WeakPolarHBondContact O-CG 3.38Å; E290-R294 PolarHBondContact O-N 3.12Å; E290-R294 PolarHBondContact O-NE 2.99Å; Q291-R294 PolarHBondContact O-N 3.22Å; Q291-R294 VanDerWaalsContact OE1-CZ 3.32Å; V292-R294 VanDerWaalsContact C-N 3.29Å; V292-R294 PolarHBondContact O-N 3.07Å; R294-I296 VanDerWaalsContact C-N 3.29Å; R294-I296 PolarHBondContact O-N 2.99Å; R294-K297 WeakPolarHBondContact O-CB 3.33Å; R294-K297 PolarHBondContact O-N 3.16Å; R294-K297 VanDerWaalsContact O-N 3.11Å; R294-E298 WeakPolarHBondContact O-CG 3.35Å; R294-E298 PolarHBondContact O-N 2.98Å |
| 295 | N | 97.3 | Very high | 94.7 | Very high | 81 Ų | 81 | 103 Ų | 103 | 43% | 0.433 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.3 | -41.5 | 179.9 | -66.7 | -0.9 | 0 | 0 | 0 | 111.8 | Q291 V292 A299 | Q291-N295 PolarHBondContact NE2-OD1 3.38Å; Q291-N295 WeakPolarHBondContact O-CB 3.46Å; Q291-N295 PolarHBondContact O-N 3.33Å; Q291-N295 PolarHBondContact O-OD1 3.2Å; Q291-N295 VanDerWaalsContact O-OD1 3.08Å; V292-N295 PolarHBondContact O-N 3.4Å; N295-A299 WeakPolarHBondContact O-CB 3.47Å; N295-A299 PolarHBondContact O-N 3.07Å |
| 296 | I | 94.6 | Very high | 94.4 | Very high | 114 Ų | 114 | 102.1 Ų | 102.1 | 59% | 0.585 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.6 | -38.3 | 177.5 | -66.1 | -65.4 | 0 | 0 | 0 | 111.3 | V292 R294 R300 | V292-I296 HydrophobicContact CG1-CG1 4.16Å; V292-I296 WeakPolarHBondContact O-CB 3.31Å; V292-I296 VanDerWaalsContact O-CG1 3.29Å; V292-I296 WeakPolarHBondContact O-CG1 3.41Å; V292-I296 PolarHBondContact O-N 2.95Å; R294-I296 VanDerWaalsContact C-N 3.29Å; R294-I296 PolarHBondContact O-N 2.99Å; I296-R300 WeakPolarHBondContact O-CB 3.11Å; I296-R300 PolarHBondContact O-N 3.13Å |
| 297 | K | 92.3 | Very high | 94 | Very high | 119 Ų | 119 | 101.2 Ų | 101.2 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -47.8 | 175.2 | -177.2 | 176.4 | -179.1 | -75 | 0 | 111.9 | D293 R294 A299 R300 E301 | D293-K297 WeakPolarHBondContact O-CB 3.46Å; D293-K297 PolarHBondContact O-N 3.37Å; R294-K297 WeakPolarHBondContact O-CB 3.33Å; R294-K297 PolarHBondContact O-N 3.16Å; R294-K297 VanDerWaalsContact O-N 3.11Å; K297-A299 PolarHBondContact O-N 3.01Å; K297-R300 WeakPolarHBondContact O-CB 3.49Å; K297-R300 PolarHBondContact O-N 3.48Å; K297-E301 VanDerWaalsContact CE-OE1 3.29Å; K297-E301 WeakPolarHBondContact CE-OE1 3.4Å; K297-E301 IonicContact NZ-OE1 3.55Å; K297-E301 PolarHBondContact NZ-OE1 3.12Å; K297-E301 IonicContact NZ-OE2 3.92Å; K297-E301 WeakPolarHBondContact O-CG 3.23Å; K297-E301 PolarHBondContact O-N 3.41Å |
| 298 | E | 95.5 | Very high | 93.5 | Very high | 116 Ų | 116 | 99.9 Ų | 99.9 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 177.5 | -71.1 | 172.5 | -163.8 | 0 | 0 | 111.7 | R294 R300 E301 K302 | R294-E298 WeakPolarHBondContact O-CG 3.35Å; R294-E298 PolarHBondContact O-N 2.98Å; E298-R300 VanDerWaalsContact C-N 3.33Å; E298-R300 PolarHBondContact O-N 3.3Å; E298-E301 PolarHBondContact O-N 2.92Å; E298-K302 WeakPolarHBondContact O-CB 3.37Å; E298-K302 PolarHBondContact O-N 3.48Å |
| 299 | A | 95.2 | Very high | 93.2 | Very high | 59 Ų | 59 | 97 Ų | 97 | 49% | 0.488 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N295 K297 L303 | N295-A299 WeakPolarHBondContact O-CB 3.47Å; N295-A299 PolarHBondContact O-N 3.07Å; K297-A299 PolarHBondContact O-N 3.01Å; A299-L303 WeakPolarHBondContact O-CB 3.35Å; A299-L303 PolarHBondContact O-N 2.85Å |
| 300 | R | 89.9 | Confident | 92.9 | Very high | 115 Ų | 115 | 92.2 Ų | 92.2 | 43% | 0.434 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66 | -49 | 174.9 | 177.7 | -170.6 | 173.1 | 130.6 | 11 | 111.9 | N161 I296 K297 E298 K302 L303 E304 | N161-R300 PolarHBondContact OD1-NH1 3.01Å; N161-R300 PolarHBondContact OD1-NH2 3.32Å; I296-R300 WeakPolarHBondContact O-CB 3.11Å; I296-R300 PolarHBondContact O-N 3.13Å; K297-R300 WeakPolarHBondContact O-CB 3.49Å; K297-R300 PolarHBondContact O-N 3.48Å; E298-R300 VanDerWaalsContact C-N 3.33Å; E298-R300 PolarHBondContact O-N 3.3Å; R300-K302 VanDerWaalsContact C-N 3.26Å; R300-K302 PolarHBondContact O-N 3.33Å; R300-L303 PolarHBondContact O-N 3.47Å; R300-E304 WeakPolarHBondContact O-CB 3.42Å; R300-E304 PolarHBondContact O-N 3.43Å |
| 301 | E | 91.1 | Very high | 92.5 | Very high | 96 Ų | 96 | 92.5 Ų | 92.5 | 45% | 0.449 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61 | -38.3 | 179.6 | -74.2 | 173.8 | 178.4 | 0 | 0 | 111.2 | K297 E298 E304 A305 | K297-E301 VanDerWaalsContact CE-OE1 3.29Å; K297-E301 WeakPolarHBondContact CE-OE1 3.4Å; K297-E301 IonicContact NZ-OE1 3.55Å; K297-E301 PolarHBondContact NZ-OE1 3.12Å; K297-E301 IonicContact NZ-OE2 3.92Å; K297-E301 WeakPolarHBondContact O-CG 3.23Å; K297-E301 PolarHBondContact O-N 3.41Å; E298-E301 PolarHBondContact O-N 2.92Å; E301-E304 PolarHBondContact O-N 2.93Å; E301-A305 WeakPolarHBondContact O-CB 3.35Å; E301-A305 PolarHBondContact O-N 2.99Å |
| 302 | K | 95.1 | Very high | 92.2 | Very high | 136 Ų | 136 | 92.6 Ų | 92.6 | 59% | 0.591 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.9 | -47.4 | 172.7 | -176.9 | 177.9 | 170.2 | -176.9 | 0 | 112.5 | E298 R300 E304 A305 E306 | E298-K302 WeakPolarHBondContact O-CB 3.37Å; E298-K302 PolarHBondContact O-N 3.48Å; R300-K302 VanDerWaalsContact C-N 3.26Å; R300-K302 PolarHBondContact O-N 3.33Å; K302-E304 VanDerWaalsContact C-N 3.3Å; K302-E304 PolarHBondContact O-N 3.15Å; K302-A305 PolarHBondContact O-N 3.34Å; K302-E306 WeakPolarHBondContact CE-OE1 3.46Å; K302-E306 IonicContact NZ-OE1 3.62Å; K302-E306 WeakPolarHBondContact O-CG 3.33Å; K302-E306 PolarHBondContact O-N 3.02Å |
| 303 | L | 91.1 | Very high | 92 | Very high | 113 Ų | 113 | 95.4 Ų | 95.4 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.9 | -38.4 | 178 | -179.9 | 64.5 | 0 | 0 | 0 | 112.1 | A299 R300 E306 L307 | A299-L303 WeakPolarHBondContact O-CB 3.35Å; A299-L303 PolarHBondContact O-N 2.85Å; R300-L303 PolarHBondContact O-N 3.47Å; L303-E306 PolarHBondContact O-N 3.1Å; L303-L307 WeakPolarHBondContact O-CB 3.42Å; L303-L307 PolarHBondContact O-N 3.13Å |
| 304 | E | 87.5 | Confident | 91.9 | Very high | 101 Ų | 101 | 96.7 Ų | 96.7 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 176.6 | -170.7 | 163 | -176.6 | 0 | 0 | 111.5 | R300 E301 K302 L307 E308 | R300-E304 WeakPolarHBondContact O-CB 3.42Å; R300-E304 PolarHBondContact O-N 3.43Å; E301-E304 PolarHBondContact O-N 2.93Å; K302-E304 VanDerWaalsContact C-N 3.3Å; K302-E304 PolarHBondContact O-N 3.15Å; E304-L307 PolarHBondContact O-N 3.15Å; E304-E308 WeakPolarHBondContact O-CB 3.23Å; E304-E308 PolarHBondContact O-N 3.2Å |
| 305 | A | 90.6 | Very high | 91.7 | Very high | 64 Ų | 64 | 95.5 Ų | 95.5 | 53% | 0.529 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E301 K302 A309 | E301-A305 WeakPolarHBondContact O-CB 3.35Å; E301-A305 PolarHBondContact O-N 2.99Å; K302-A305 PolarHBondContact O-N 3.34Å; A305-A309 WeakPolarHBondContact O-CB 3.44Å; A305-A309 PolarHBondContact O-N 2.63Å |
| 306 | E | 92.2 | Very high | 91.6 | Very high | 103 Ų | 103 | 97.1 Ų | 97.1 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -41 | 175 | -74.9 | 175.8 | -176.4 | 0 | 0 | 111.7 | K302 L303 A309 A310 | K302-E306 WeakPolarHBondContact CE-OE1 3.46Å; K302-E306 IonicContact NZ-OE1 3.62Å; K302-E306 WeakPolarHBondContact O-CG 3.33Å; K302-E306 PolarHBondContact O-N 3.02Å; L303-E306 PolarHBondContact O-N 3.1Å; E306-A309 PolarHBondContact O-N 3.36Å; E306-A310 WeakPolarHBondContact O-CB 3.33Å; E306-A310 PolarHBondContact O-N 3.49Å |
| 307 | L | 87.2 | Confident | 91.6 | Very high | 73 Ų | 73 | 97.1 Ų | 97.1 | 38% | 0.382 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.3 | -44.7 | 177.7 | -169.2 | 151.4 | 0 | 0 | 0 | 112.2 | P226 L303 E304 A309 A310 K311 | P226-L307 HydrophobicContact CG-CD1 3.74Å; P226-L307 HydrophobicContact CG-CD2 3.87Å; P226-L307 HydrophobicContact CG-CG 4.43Å; L303-L307 WeakPolarHBondContact O-CB 3.42Å; L303-L307 PolarHBondContact O-N 3.13Å; E304-L307 PolarHBondContact O-N 3.15Å; L307-A309 VanDerWaalsContact C-N 3.33Å; L307-A309 PolarHBondContact O-N 2.89Å; L307-A310 PolarHBondContact O-N 2.95Å; L307-K311 WeakPolarHBondContact O-CB 3.32Å; L307-K311 PolarHBondContact O-N 3.45Å |
| 308 | E | 87.8 | Confident | 91.7 | Very high | 75 Ų | 75 | 95.6 Ų | 95.6 | 35% | 0.35 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 178 | -163.5 | 64.7 | -149.1 | 0 | 0 | 111 | E304 K311 N312 | E304-E308 WeakPolarHBondContact O-CB 3.23Å; E304-E308 PolarHBondContact O-N 3.2Å; E308-K311 IonicContact OE1-NZ 2.75Å; E308-K311 PolarHBondContact OE1-NZ 3.03Å; E308-K311 IonicContact OE2-NZ 2.9Å; E308-K311 PolarHBondContact OE2-NZ 2.98Å; E308-N312 WeakPolarHBondContact O-CB 3.42Å; E308-N312 PolarHBondContact O-N 3.04Å; E308-N312 PolarHBondContact O-ND2 3.09Å |
| 309 | A | 91.8 | Very high | 91.6 | Very high | 57 Ų | 57 | 95.6 Ų | 95.6 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -49.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A305 E306 L307 K311 N312 E313 | A305-A309 WeakPolarHBondContact O-CB 3.44Å; A305-A309 PolarHBondContact O-N 2.63Å; E306-A309 PolarHBondContact O-N 3.36Å; L307-A309 VanDerWaalsContact C-N 3.33Å; L307-A309 PolarHBondContact O-N 2.89Å; A309-K311 VanDerWaalsContact C-N 3.33Å; A309-K311 PolarHBondContact O-N 3.41Å; A309-N312 PolarHBondContact O-N 3.42Å; A309-E313 PolarHBondContact O-N 3.49Å |
| 310 | A | 90.2 | Very high | 91.6 | Very high | 57 Ų | 57 | 101.4 Ų | 101.4 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E306 L307 E313 H314 | E306-A310 WeakPolarHBondContact O-CB 3.33Å; E306-A310 PolarHBondContact O-N 3.49Å; L307-A310 PolarHBondContact O-N 2.95Å; A310-E313 PolarHBondContact O-N 2.93Å; A310-H314 WeakPolarHBondContact O-CB 3.44Å; A310-H314 PolarHBondContact O-N 3.25Å |
| 311 | K | 87.8 | Confident | 91.9 | Very high | 99 Ų | 99 | 102 Ų | 102 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 173.3 | 171.7 | -173.8 | 159.9 | -147.4 | 0 | 111.7 | L307 E308 A309 H314 Q315 | L307-K311 WeakPolarHBondContact O-CB 3.32Å; L307-K311 PolarHBondContact O-N 3.45Å; E308-K311 IonicContact OE1-NZ 2.75Å; E308-K311 PolarHBondContact OE1-NZ 3.03Å; E308-K311 IonicContact OE2-NZ 2.9Å; E308-K311 PolarHBondContact OE2-NZ 2.98Å; A309-K311 VanDerWaalsContact C-N 3.33Å; A309-K311 PolarHBondContact O-N 3.41Å; K311-H314 PolarHBondContact O-N 3.46Å; K311-Q315 WeakPolarHBondContact O-CB 3.47Å; K311-Q315 PolarHBondContact O-N 3.48Å |
| 312 | N | 91.4 | Very high | 92 | Very high | 81 Ų | 81 | 99.6 Ų | 99.6 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 178.7 | -71.2 | -32.6 | 0 | 0 | 0 | 112 | E308 A309 Q315 L316 | E308-N312 WeakPolarHBondContact O-CB 3.42Å; E308-N312 PolarHBondContact O-N 3.04Å; E308-N312 PolarHBondContact O-ND2 3.09Å; A309-N312 PolarHBondContact O-N 3.42Å; N312-Q315 PolarHBondContact O-N 2.95Å; N312-L316 WeakPolarHBondContact O-CB 3.36Å; N312-L316 PolarHBondContact O-N 2.92Å |
| 313 | E | 93.6 | Very high | 92.1 | Very high | 142 Ų | 142 | 97.7 Ų | 97.7 | 66% | 0.664 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -44.7 | 173.6 | -175.6 | 175 | -168.4 | 0 | 0 | 111.8 | A309 A310 Q315 L316 M317 | A309-E313 PolarHBondContact O-N 3.49Å; A310-E313 PolarHBondContact O-N 2.93Å; E313-Q315 PolarHBondContact O-N 3.39Å; E313-L316 PolarHBondContact O-N 2.84Å; E313-M317 WeakPolarHBondContact O-CB 3.37Å; E313-M317 PolarHBondContact O-N 3.48Å |
| 314 | H | 91.8 | Very high | 92.2 | Very high | 107 Ų | 107 | 97.4 Ų | 97.4 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.3 | -176.6 | 62.4 | 0 | 0 | 0 | 112.1 | A310 K311 L316 M317 L318 | A310-H314 WeakPolarHBondContact O-CB 3.44Å; A310-H314 PolarHBondContact O-N 3.25Å; K311-H314 PolarHBondContact O-N 3.46Å; H314-L316 VanDerWaalsContact C-N 3.34Å; H314-L316 PolarHBondContact O-N 3.49Å; H314-M317 WeakPolarHBondContact O-CB 3.41Å; H314-M317 PolarHBondContact O-N 3.48Å; H314-L318 WeakPolarHBondContact O-CG 3.28Å; H314-L318 PolarHBondContact O-N 3.31Å |
| 315 | Q | 91.2 | Very high | 92.5 | Very high | 97 Ų | 97 | 99.4 Ų | 99.4 | 45% | 0.453 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 175.1 | -176.4 | 173.1 | -28.5 | 0 | 0 | 111.8 | K311 N312 E313 L318 M319 | K311-Q315 WeakPolarHBondContact O-CB 3.47Å; K311-Q315 PolarHBondContact O-N 3.48Å; N312-Q315 PolarHBondContact O-N 2.95Å; E313-Q315 PolarHBondContact O-N 3.39Å; Q315-L318 PolarHBondContact O-N 3.38Å; Q315-M319 HydrophobicContact CG-CE 4.2Å; Q315-M319 WeakPolarHBondContact O-CG 3.44Å; Q315-M319 PolarHBondContact O-N 3.05Å |
| 316 | L | 95.1 | Very high | 92.7 | Very high | 116 Ų | 116 | 103.2 Ų | 103.2 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.6 | -39.6 | 174.4 | 179.6 | 61.5 | 0 | 0 | 0 | 112.1 | N312 E313 H314 M319 R320 | N312-L316 WeakPolarHBondContact O-CB 3.36Å; N312-L316 PolarHBondContact O-N 2.92Å; E313-L316 PolarHBondContact O-N 2.84Å; H314-L316 VanDerWaalsContact C-N 3.34Å; H314-L316 PolarHBondContact O-N 3.49Å; L316-M319 PolarHBondContact O-N 2.84Å; L316-R320 VanDerWaalsContact O-CB 3.28Å; L316-R320 WeakPolarHBondContact O-CB 3.46Å; L316-R320 PolarHBondContact O-N 3.02Å |
| 317 | M | 94.5 | Very high | 92.7 | Very high | 114 Ų | 114 | 103.4 Ų | 103.4 | 56% | 0.562 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 175.4 | 178.6 | -174.6 | 139.7 | 0 | 0 | 111.4 | E313 H314 R320 Q321 | E313-M317 WeakPolarHBondContact O-CB 3.37Å; E313-M317 PolarHBondContact O-N 3.48Å; H314-M317 WeakPolarHBondContact O-CB 3.41Å; H314-M317 PolarHBondContact O-N 3.48Å; M317-R320 PolarHBondContact O-N 3.25Å; M317-Q321 PolarHBondContact O-N 3.47Å |
| 318 | L | 94.5 | Very high | 93 | Very high | 87 Ų | 87 | 104.8 Ų | 104.8 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 176.3 | -69 | 173.1 | 0 | 0 | 0 | 111.7 | H314 Q315 R320 Q321 D322 | H314-L318 WeakPolarHBondContact O-CG 3.28Å; H314-L318 PolarHBondContact O-N 3.31Å; Q315-L318 PolarHBondContact O-N 3.38Å; L318-R320 PolarHBondContact O-N 2.66Å; L318-Q321 PolarHBondContact O-N 2.93Å; L318-D322 PolarHBondContact O-N 3.11Å; L318-D322 VanDerWaalsContact O-N 3.09Å |
| 319 | M | 94.6 | Very high | 93.3 | Very high | 115 Ų | 115 | 106.5 Ų | 106.5 | 57% | 0.567 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -40.4 | 175.9 | -72.2 | -177.1 | 175.3 | 0 | 0 | 112.3 | Q315 L316 D322 L323 | Q315-M319 HydrophobicContact CG-CE 4.2Å; Q315-M319 WeakPolarHBondContact O-CG 3.44Å; Q315-M319 PolarHBondContact O-N 3.05Å; L316-M319 PolarHBondContact O-N 2.84Å; M319-D322 PolarHBondContact O-N 3.42Å; M319-L323 WeakPolarHBondContact O-CB 3.38Å; M319-L323 PolarHBondContact O-N 2.92Å |
| 320 | R | 95.4 | Very high | 93.3 | Very high | 181 Ų | 181 | 108.8 Ų | 108.8 | 68% | 0.683 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -39.3 | 176.5 | -174.7 | 177.4 | -177.8 | 177.3 | 1.1 | 111.6 | L316 M317 L318 L323 M324 | L316-R320 VanDerWaalsContact O-CB 3.28Å; L316-R320 WeakPolarHBondContact O-CB 3.46Å; L316-R320 PolarHBondContact O-N 3.02Å; M317-R320 PolarHBondContact O-N 3.25Å; L318-R320 PolarHBondContact O-N 2.66Å; R320-L323 PolarHBondContact O-N 3.3Å; R320-M324 WeakPolarHBondContact O-CB 3.36Å; R320-M324 WeakPolarHBondContact O-CG 3.43Å; R320-M324 PolarHBondContact O-N 3.09Å |
| 321 | Q | 94.7 | Very high | 93.5 | Very high | 128 Ų | 128 | 113.7 Ų | 113.7 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.9 | -43.8 | 176.9 | -170.3 | 178.2 | 18.2 | 0 | 0 | 111.7 | M317 L318 M324 R325 | M317-Q321 PolarHBondContact O-N 3.47Å; L318-Q321 PolarHBondContact O-N 2.93Å; Q321-M324 PolarHBondContact O-N 2.9Å; Q321-R325 WeakPolarHBondContact O-CB 3.47Å; Q321-R325 PolarHBondContact O-N 3.32Å |
| 322 | D | 95.1 | Very high | 93.8 | Very high | 45 Ų | 45 | 115.9 Ų | 115.9 | 24% | 0.241 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 175.9 | -175 | 31.1 | 0 | 0 | 0 | 112 | L318 M319 R325 R326 | L318-D322 PolarHBondContact O-N 3.11Å; L318-D322 VanDerWaalsContact O-N 3.09Å; M319-D322 PolarHBondContact O-N 3.42Å; D322-R325 WeakPolarHBondContact O-CB 3.22Å; D322-R325 PolarHBondContact O-N 2.91Å; D322-R325 IonicContact OD1-CZ 2.69Å; D322-R325 IonicContact OD1-NE 3.69Å; D322-R325 PolarHBondContact OD1-NE 2.98Å; D322-R325 IonicContact OD1-NH2 3.96Å; D322-R325 PolarHBondContact OD1-NH2 3.35Å; D322-R326 VanDerWaalsContact O-CG 3.3Å; D322-R326 WeakPolarHBondContact O-CG 3.5Å; D322-R326 PolarHBondContact O-N 2.98Å; D322-R326 IonicContact OD1-CZ 2.71Å; D322-R326 IonicContact OD1-NE 2.7Å; D322-R326 PolarHBondContact OD1-NE 2.7Å; D322-R326 VanDerWaalsContact OD1-NE 3.17Å; D322-R326 IonicContact OD1-NH2 3.64Å; D322-R326 IonicContact OD2-CZ 3.98Å; D322-R326 VanDerWaalsContact OD2-CZ 3.23Å; D322-R326 IonicContact OD2-NE 3.49Å; D322-R326 PolarHBondContact OD2-NE 3.47Å; D322-R326 VanDerWaalsContact OD2-NE 3.11Å; D322-R326 IonicContact OD2-NH2 3.9Å; D322-R326 PolarHBondContact OD2-NH2 3.42Å |
| 323 | L | 95.7 | Very high | 93.9 | Very high | 96 Ų | 96 | 117.5 Ų | 117.5 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.5 | -169.7 | 152.3 | 0 | 0 | 0 | 111.9 | M319 R320 R325 R326 Q327 | M319-L323 WeakPolarHBondContact O-CB 3.38Å; M319-L323 PolarHBondContact O-N 2.92Å; R320-L323 PolarHBondContact O-N 3.3Å; L323-R325 PolarHBondContact O-N 3.42Å; L323-R326 PolarHBondContact O-N 3.5Å; L323-Q327 HydrophobicContact CD2-CG 4Å; L323-Q327 WeakPolarHBondContact O-CB 3.5Å; L323-Q327 WeakPolarHBondContact O-CG 3.49Å; L323-Q327 PolarHBondContact O-N 2.99Å |
| 324 | M | 93 | Very high | 93.8 | Very high | 107 Ų | 107 | 117 Ų | 117 | 53% | 0.527 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 173.9 | -75.8 | -69 | -60.2 | 0 | 0 | 111.7 | R320 Q321 R326 Q327 E328 | R320-M324 WeakPolarHBondContact O-CB 3.36Å; R320-M324 WeakPolarHBondContact O-CG 3.43Å; R320-M324 PolarHBondContact O-N 3.09Å; Q321-M324 PolarHBondContact O-N 2.9Å; M324-R326 PolarHBondContact O-N 3.5Å; M324-Q327 PolarHBondContact O-N 2.92Å; M324-E328 PolarHBondContact O-N 3.47Å |
| 325 | R | 94.9 | Very high | 93.9 | Very high | 144 Ų | 144 | 116 Ų | 116 | 54% | 0.543 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.1 | -49.4 | 175.9 | 179.4 | -179.2 | 64 | 166.7 | -1.3 | 111.5 | Q321 D322 L323 Q327 E328 E329 | Q321-R325 WeakPolarHBondContact O-CB 3.47Å; Q321-R325 PolarHBondContact O-N 3.32Å; D322-R325 WeakPolarHBondContact O-CB 3.22Å; D322-R325 PolarHBondContact O-N 2.91Å; D322-R325 IonicContact OD1-CZ 2.69Å; D322-R325 IonicContact OD1-NE 3.69Å; D322-R325 PolarHBondContact OD1-NE 2.98Å; D322-R325 IonicContact OD1-NH2 3.96Å; D322-R325 PolarHBondContact OD1-NH2 3.35Å; L323-R325 PolarHBondContact O-N 3.42Å; R325-Q327 PolarHBondContact O-N 3.39Å; R325-E328 PolarHBondContact O-N 3.47Å; R325-E329 WeakPolarHBondContact CG-OE1 3.45Å; R325-E329 WeakPolarHBondContact O-CG 3.29Å; R325-E329 PolarHBondContact O-N 3.48Å |
| 326 | R | 94.4 | Very high | 94 | Very high | 143 Ų | 143 | 116.4 Ų | 116.4 | 54% | 0.54 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 178.6 | -66 | 171.9 | -167 | -151.4 | 7.7 | 112.4 | D322 L323 M324 E329 L330 | D322-R326 VanDerWaalsContact O-CG 3.3Å; D322-R326 WeakPolarHBondContact O-CG 3.5Å; D322-R326 PolarHBondContact O-N 2.98Å; D322-R326 IonicContact OD1-CZ 2.71Å; D322-R326 IonicContact OD1-NE 2.7Å; D322-R326 PolarHBondContact OD1-NE 2.7Å; D322-R326 VanDerWaalsContact OD1-NE 3.17Å; D322-R326 IonicContact OD1-NH2 3.64Å; D322-R326 IonicContact OD2-CZ 3.98Å; D322-R326 VanDerWaalsContact OD2-CZ 3.23Å; D322-R326 IonicContact OD2-NE 3.49Å; D322-R326 PolarHBondContact OD2-NE 3.47Å; D322-R326 VanDerWaalsContact OD2-NE 3.11Å; D322-R326 IonicContact OD2-NH2 3.9Å; D322-R326 PolarHBondContact OD2-NH2 3.42Å; L323-R326 PolarHBondContact O-N 3.5Å; M324-R326 PolarHBondContact O-N 3.5Å; R326-E329 PolarHBondContact O-N 3.3Å; R326-L330 WeakPolarHBondContact O-CB 3.3Å; R326-L330 WeakPolarHBondContact O-CG 3.22Å; R326-L330 PolarHBondContact O-N 3.17Å |
| 327 | Q | 92.4 | Very high | 93.8 | Very high | 108 Ų | 108 | 119.5 Ų | 119.5 | 51% | 0.505 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 173.8 | -79.3 | -174.8 | -20.9 | 0 | 0 | 111.9 | L323 M324 R325 L330 R331 | L323-Q327 HydrophobicContact CD2-CG 4Å; L323-Q327 WeakPolarHBondContact O-CB 3.5Å; L323-Q327 WeakPolarHBondContact O-CG 3.49Å; L323-Q327 PolarHBondContact O-N 2.99Å; M324-Q327 PolarHBondContact O-N 2.92Å; R325-Q327 PolarHBondContact O-N 3.39Å; Q327-L330 PolarHBondContact O-N 3.4Å; Q327-R331 VanDerWaalsContact O-CB 3.29Å; Q327-R331 WeakPolarHBondContact O-CB 3.39Å; Q327-R331 PolarHBondContact O-N 3.42Å |
| 328 | E | 93.6 | Very high | 93.7 | Very high | 102 Ų | 102 | 118.2 Ų | 118.2 | 48% | 0.477 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 176.6 | -160 | -175.2 | 160.5 | 0 | 0 | 111.8 | M324 R325 R331 R332 | M324-E328 PolarHBondContact O-N 3.47Å; R325-E328 PolarHBondContact O-N 3.47Å; E328-R331 PolarHBondContact O-N 2.82Å; E328-R332 WeakPolarHBondContact O-CB 3.5Å; E328-R332 VanDerWaalsContact O-CG 3.22Å; E328-R332 WeakPolarHBondContact O-CG 3.34Å; E328-R332 PolarHBondContact O-N 2.9Å; E328-R332 IonicContact OE1-CZ 2.81Å; E328-R332 VanDerWaalsContact OE1-CZ 3.3Å; E328-R332 IonicContact OE1-NE 3.44Å; E328-R332 PolarHBondContact OE1-NE 3.12Å; E328-R332 IonicContact OE1-NH2 3.3Å; E328-R332 PolarHBondContact OE1-NH2 3.46Å |
| 329 | E | 92.7 | Very high | 93.6 | Very high | 110 Ų | 110 | 119.7 Ų | 119.7 | 51% | 0.514 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 172 | -74 | 168.1 | -172.9 | 0 | 0 | 112 | R325 R326 R332 L333 | R325-E329 WeakPolarHBondContact CG-OE1 3.45Å; R325-E329 WeakPolarHBondContact O-CG 3.29Å; R325-E329 PolarHBondContact O-N 3.48Å; R326-E329 PolarHBondContact O-N 3.3Å; E329-R332 PolarHBondContact O-N 2.91Å; E329-L333 PolarHBondContact O-N 3.05Å |
| 330 | L | 93.8 | Very high | 93.4 | Very high | 106 Ų | 106 | 118 Ų | 118 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.1 | -45.6 | 175.6 | -74.1 | 171.2 | 0 | 0 | 0 | 111.8 | R326 Q327 R332 L333 E334 | R326-L330 WeakPolarHBondContact O-CB 3.3Å; R326-L330 WeakPolarHBondContact O-CG 3.22Å; R326-L330 PolarHBondContact O-N 3.17Å; Q327-L330 PolarHBondContact O-N 3.4Å; L330-R332 PolarHBondContact O-N 2.93Å; L330-L333 WeakPolarHBondContact O-CB 3.39Å; L330-L333 PolarHBondContact O-N 3.22Å; L330-L333 VanDerWaalsContact O-N 3.12Å; L330-E334 WeakPolarHBondContact O-CG 3.44Å; L330-E334 PolarHBondContact O-N 2.86Å |
| 331 | R | 94.1 | Very high | 93.2 | Very high | 160 Ų | 160 | 113.4 Ų | 113.4 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.1 | -43.4 | 178.2 | -179.4 | 178.5 | 172.2 | 162.2 | 3.3 | 112 | Q327 E328 L333 E334 E335 | Q327-R331 VanDerWaalsContact O-CB 3.29Å; Q327-R331 WeakPolarHBondContact O-CB 3.39Å; Q327-R331 PolarHBondContact O-N 3.42Å; E328-R331 PolarHBondContact O-N 2.82Å; R331-L333 VanDerWaalsContact C-N 3.28Å; R331-L333 PolarHBondContact O-N 2.89Å; R331-E334 PolarHBondContact O-N 3.41Å; R331-E335 HydrophobicContact CG-CG 4.47Å; R331-E335 WeakPolarHBondContact CG-OE1 3.49Å; R331-E335 IonicContact CZ-OE1 2.62Å; R331-E335 IonicContact NE-OE1 3.9Å; R331-E335 PolarHBondContact NE-OE1 2.65Å; R331-E335 IonicContact NH2-OE1 3.66Å; R331-E335 PolarHBondContact NH2-OE1 3.23Å; R331-E335 WeakPolarHBondContact O-CB 3.36Å; R331-E335 WeakPolarHBondContact O-CG 3.3Å; R331-E335 PolarHBondContact O-N 2.99Å |
| 332 | R | 93.4 | Very high | 93 | Very high | 145 Ų | 145 | 112.2 Ų | 112.2 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 174.6 | -71.8 | 168.2 | -177.7 | -157.1 | -1.2 | 111.3 | E328 E329 L330 L336 | E328-R332 WeakPolarHBondContact O-CB 3.5Å; E328-R332 VanDerWaalsContact O-CG 3.22Å; E328-R332 WeakPolarHBondContact O-CG 3.34Å; E328-R332 PolarHBondContact O-N 2.9Å; E328-R332 IonicContact OE1-CZ 2.81Å; E328-R332 VanDerWaalsContact OE1-CZ 3.3Å; E328-R332 IonicContact OE1-NE 3.44Å; E328-R332 PolarHBondContact OE1-NE 3.12Å; E328-R332 IonicContact OE1-NH2 3.3Å; E328-R332 PolarHBondContact OE1-NH2 3.46Å; E329-R332 PolarHBondContact O-N 2.91Å; L330-R332 PolarHBondContact O-N 2.93Å; R332-L336 WeakPolarHBondContact O-CB 3.49Å; R332-L336 VanDerWaalsContact O-CG 3.3Å; R332-L336 WeakPolarHBondContact O-CG 3.4Å; R332-L336 PolarHBondContact O-N 3.27Å |
| 333 | L | 93.9 | Very high | 92.9 | Very high | 115 Ų | 115 | 118 Ų | 118 | 60% | 0.602 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.4 | -38.8 | 177.1 | -163.8 | 70.9 | 0 | 0 | 0 | 112.3 | E329 L330 R331 R337 | E329-L333 PolarHBondContact O-N 3.05Å; L330-L333 WeakPolarHBondContact O-CB 3.39Å; L330-L333 PolarHBondContact O-N 3.22Å; L330-L333 VanDerWaalsContact O-N 3.12Å; R331-L333 VanDerWaalsContact C-N 3.28Å; R331-L333 PolarHBondContact O-N 2.89Å; L333-R337 WeakPolarHBondContact O-CB 3.45Å; L333-R337 PolarHBondContact O-N 2.96Å |
| 334 | E | 91.8 | Very high | 92.5 | Very high | 131 Ų | 131 | 120.7 Ų | 120.7 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.1 | -42.5 | 173.3 | -72.9 | -178 | 169.6 | 0 | 0 | 112.4 | L330 R331 R337 N338 | L330-E334 WeakPolarHBondContact O-CG 3.44Å; L330-E334 PolarHBondContact O-N 2.86Å; R331-E334 PolarHBondContact O-N 3.41Å; E334-R337 PolarHBondContact O-N 3.48Å; E334-N338 WeakPolarHBondContact O-CB 3.36Å; E334-N338 PolarHBondContact O-N 2.84Å |
| 335 | E | 93.1 | Very high | 92.4 | Very high | 87 Ų | 87 | 122.1 Ų | 122.1 | 41% | 0.407 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.4 | -74.9 | 174.5 | -170.7 | 0 | 0 | 111 | R331 N338 Q339 | R331-E335 HydrophobicContact CG-CG 4.47Å; R331-E335 WeakPolarHBondContact CG-OE1 3.49Å; R331-E335 IonicContact CZ-OE1 2.62Å; R331-E335 IonicContact NE-OE1 3.9Å; R331-E335 PolarHBondContact NE-OE1 2.65Å; R331-E335 IonicContact NH2-OE1 3.66Å; R331-E335 PolarHBondContact NH2-OE1 3.23Å; R331-E335 WeakPolarHBondContact O-CB 3.36Å; R331-E335 WeakPolarHBondContact O-CG 3.3Å; R331-E335 PolarHBondContact O-N 2.99Å; E335-N338 PolarHBondContact O-N 3.01Å; E335-Q339 VanDerWaalsContact O-CG 3.3Å; E335-Q339 WeakPolarHBondContact O-CG 3.37Å; E335-Q339 PolarHBondContact O-N 2.9Å |
| 336 | L | 92.5 | Very high | 92.1 | Very high | 104 Ų | 104 | 120.2 Ų | 120.2 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 172.2 | -76.4 | 167.1 | 0 | 0 | 0 | 112.5 | R332 N338 Q339 E340 | R332-L336 WeakPolarHBondContact O-CB 3.49Å; R332-L336 VanDerWaalsContact O-CG 3.3Å; R332-L336 WeakPolarHBondContact O-CG 3.4Å; R332-L336 PolarHBondContact O-N 3.27Å; L336-N338 VanDerWaalsContact C-N 3.3Å; L336-N338 PolarHBondContact O-N 3.49Å; L336-Q339 PolarHBondContact O-N 2.88Å; L336-E340 PolarHBondContact O-N 3.28Å |
| 337 | R | 91.1 | Very high | 91.8 | Very high | 182 Ų | 182 | 117.5 Ų | 117.5 | 69% | 0.687 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -38.7 | 176.3 | -179.2 | -177.1 | 174.3 | -159.6 | -1.4 | 111.8 | L333 E334 E340 L341 | L333-R337 WeakPolarHBondContact O-CB 3.45Å; L333-R337 PolarHBondContact O-N 2.96Å; E334-R337 PolarHBondContact O-N 3.48Å; R337-E340 PolarHBondContact O-N 3.41Å; R337-L341 HydrophobicContact CG-CD1 4.45Å; R337-L341 WeakPolarHBondContact O-CG 3.3Å; R337-L341 PolarHBondContact O-N 3.3Å |
| 338 | N | 92.9 | Very high | 91.5 | Very high | 87 Ų | 87 | 118.7 Ų | 118.7 | 47% | 0.465 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.4 | -39.2 | 179.1 | -165 | 26.3 | 0 | 0 | 0 | 111.8 | E334 E335 L336 E340 L341 Q342 | E334-N338 WeakPolarHBondContact O-CB 3.36Å; E334-N338 PolarHBondContact O-N 2.84Å; E335-N338 PolarHBondContact O-N 3.01Å; L336-N338 VanDerWaalsContact C-N 3.3Å; L336-N338 PolarHBondContact O-N 3.49Å; N338-E340 VanDerWaalsContact C-N 3.34Å; N338-E340 PolarHBondContact O-N 3.26Å; N338-L341 PolarHBondContact O-N 2.98Å; N338-Q342 WeakPolarHBondContact O-CG 3.37Å; N338-Q342 PolarHBondContact O-N 3.36Å |
| 339 | Q | 93 | Very high | 91.1 | Very high | 117 Ų | 117 | 119.5 Ų | 119.5 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 171.1 | -73.2 | 173.3 | 27 | 0 | 0 | 111.5 | E335 L336 Q342 R343 | E335-Q339 VanDerWaalsContact O-CG 3.3Å; E335-Q339 WeakPolarHBondContact O-CG 3.37Å; E335-Q339 PolarHBondContact O-N 2.9Å; L336-Q339 PolarHBondContact O-N 2.88Å; Q339-Q342 PolarHBondContact O-N 2.9Å; Q339-R343 WeakPolarHBondContact O-CB 3.44Å; Q339-R343 PolarHBondContact O-N 3.3Å |
| 340 | E | 89.5 | Confident | 90.8 | Very high | 81 Ų | 81 | 122.2 Ų | 122.2 | 38% | 0.379 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 175.5 | 174.6 | 59.2 | -167.4 | 0 | 0 | 112 | L336 R337 N338 R343 R344 | L336-E340 PolarHBondContact O-N 3.28Å; R337-E340 PolarHBondContact O-N 3.41Å; N338-E340 VanDerWaalsContact C-N 3.34Å; N338-E340 PolarHBondContact O-N 3.26Å; E340-R343 WeakPolarHBondContact O-CB 3.41Å; E340-R343 PolarHBondContact O-N 3.04Å; E340-R344 WeakPolarHBondContact O-CG 3.5Å; E340-R344 PolarHBondContact O-N 3.45Å; E340-R344 IonicContact OE1-CZ 3.61Å; E340-R344 VanDerWaalsContact OE1-CZ 3.28Å; E340-R344 IonicContact OE1-NE 3.74Å; E340-R344 PolarHBondContact OE1-NE 2.89Å; E340-R344 IonicContact OE1-NH2 3.9Å; E340-R344 PolarHBondContact OE1-NH2 3.31Å |
| 341 | L | 91.6 | Very high | 90.5 | Very high | 83 Ų | 83 | 122.8 Ų | 122.8 | 44% | 0.435 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 173.5 | -74.7 | 168.9 | 0 | 0 | 0 | 112.5 | R337 N338 R344 K345 | R337-L341 HydrophobicContact CG-CD1 4.45Å; R337-L341 WeakPolarHBondContact O-CG 3.3Å; R337-L341 PolarHBondContact O-N 3.3Å; N338-L341 PolarHBondContact O-N 2.98Å; L341-R344 PolarHBondContact O-N 2.94Å; L341-K345 WeakPolarHBondContact O-CG 3.35Å; L341-K345 PolarHBondContact O-N 2.81Å |
| 342 | Q | 90.3 | Very high | 90.2 | Very high | 104 Ų | 104 | 119.7 Ų | 119.7 | 49% | 0.486 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 174.6 | -73.2 | 179.2 | -2.3 | 0 | 0 | 111.6 | N338 Q339 K345 Q346 | N338-Q342 WeakPolarHBondContact O-CG 3.37Å; N338-Q342 PolarHBondContact O-N 3.36Å; Q339-Q342 PolarHBondContact O-N 2.9Å; Q342-K345 PolarHBondContact O-N 3.3Å; Q342-Q346 WeakPolarHBondContact O-CG 3.34Å; Q342-Q346 PolarHBondContact O-N 2.75Å |
| 343 | R | 92.1 | Very high | 89.8 | Confident | 166 Ų | 166 | 119.4 Ų | 119.4 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 176.1 | -163.7 | -172.5 | -163.4 | 110.2 | 3.2 | 111.4 | Q339 E340 Q346 I347 | Q339-R343 WeakPolarHBondContact O-CB 3.44Å; Q339-R343 PolarHBondContact O-N 3.3Å; E340-R343 WeakPolarHBondContact O-CB 3.41Å; E340-R343 PolarHBondContact O-N 3.04Å; R343-Q346 PolarHBondContact O-N 3.49Å; R343-I347 HydrophobicContact CG-CD1 4.25Å; R343-I347 WeakPolarHBondContact O-CG1 3.45Å; R343-I347 PolarHBondContact O-N 3.18Å |
| 344 | R | 88.8 | Confident | 89.2 | Confident | 153 Ų | 153 | 118.4 Ų | 118.4 | 58% | 0.577 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.5 | -48.4 | 174.1 | -72.5 | 174.6 | -172.5 | -150.7 | -1.2 | 111.8 | E340 L341 Q346 I347 E348 | E340-R344 WeakPolarHBondContact O-CG 3.5Å; E340-R344 PolarHBondContact O-N 3.45Å; E340-R344 IonicContact OE1-CZ 3.61Å; E340-R344 VanDerWaalsContact OE1-CZ 3.28Å; E340-R344 IonicContact OE1-NE 3.74Å; E340-R344 PolarHBondContact OE1-NE 2.89Å; E340-R344 IonicContact OE1-NH2 3.9Å; E340-R344 PolarHBondContact OE1-NH2 3.31Å; L341-R344 PolarHBondContact O-N 2.94Å; R344-Q346 VanDerWaalsContact C-N 3.32Å; R344-Q346 PolarHBondContact O-N 3.32Å; R344-I347 PolarHBondContact O-N 2.83Å; R344-E348 WeakPolarHBondContact O-CB 3.28Å; R344-E348 PolarHBondContact O-N 3.03Å |
| 345 | K | 91.3 | Very high | 88.9 | Confident | 136 Ų | 136 | 119.7 Ų | 119.7 | 59% | 0.591 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.8 | -36.9 | 175.7 | -72.7 | -177.5 | 177.1 | -171.1 | 0 | 113 | L341 Q342 E348 M349 | L341-K345 WeakPolarHBondContact O-CG 3.35Å; L341-K345 PolarHBondContact O-N 2.81Å; Q342-K345 PolarHBondContact O-N 3.3Å; K345-E348 PolarHBondContact O-N 2.96Å; K345-M349 WeakPolarHBondContact O-CB 3.47Å; K345-M349 WeakPolarHBondContact O-CG 3.38Å; K345-M349 PolarHBondContact O-N 3.2Å |
| 346 | Q | 88 | Confident | 88.4 | Confident | 104 Ų | 104 | 122.4 Ų | 122.4 | 49% | 0.486 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 174.6 | -74.8 | -179.7 | 7.9 | 0 | 0 | 112.4 | Q342 R343 R344 R350 | Q342-Q346 WeakPolarHBondContact O-CG 3.34Å; Q342-Q346 PolarHBondContact O-N 2.75Å; R343-Q346 PolarHBondContact O-N 3.49Å; R344-Q346 VanDerWaalsContact C-N 3.32Å; R344-Q346 PolarHBondContact O-N 3.32Å; Q346-R350 WeakPolarHBondContact O-CB 3.38Å; Q346-R350 VanDerWaalsContact O-CG 3.28Å; Q346-R350 WeakPolarHBondContact O-CG 3.39Å; Q346-R350 PolarHBondContact O-N 2.85Å |
| 347 | I | 88.1 | Confident | 88 | Confident | 87 Ų | 87 | 125.1 Ų | 125.1 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 174.2 | -70.8 | 160.2 | 0 | 0 | 0 | 110.3 | R343 R344 R350 H351 | R343-I347 HydrophobicContact CG-CD1 4.25Å; R343-I347 WeakPolarHBondContact O-CG1 3.45Å; R343-I347 PolarHBondContact O-N 3.18Å; R344-I347 PolarHBondContact O-N 2.83Å; I347-R350 PolarHBondContact O-N 3.38Å; I347-H351 PolarHBondContact O-CD2 2.89Å; I347-H351 VanDerWaalsContact O-CD2 3.31Å; I347-H351 PolarHBondContact O-N 2.82Å |
| 348 | E | 85.6 | Confident | 87.6 | Confident | 132 Ų | 132 | 123.3 Ų | 123.3 | 62% | 0.617 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.3 | -49.6 | 177 | -174.5 | 172.4 | -154.7 | 0 | 0 | 111.9 | R344 K345 R350 H351 E352 | R344-E348 WeakPolarHBondContact O-CB 3.28Å; R344-E348 PolarHBondContact O-N 3.03Å; K345-E348 PolarHBondContact O-N 2.96Å; E348-R350 VanDerWaalsContact C-N 3.33Å; E348-R350 PolarHBondContact O-N 3.29Å; E348-H351 PolarHBondContact O-N 3.26Å; E348-H351 VanDerWaalsContact O-N 3.14Å; E348-E352 PolarHBondContact O-N 3.3Å |
| 349 | M | 85.6 | Confident | 87 | Confident | 120 Ų | 120 | 123.1 Ų | 123.1 | 59% | 0.591 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.3 | -39.2 | 175.1 | -75 | -165.4 | -54.6 | 0 | 0 | 112.5 | K345 E352 E353 | K345-M349 WeakPolarHBondContact O-CB 3.47Å; K345-M349 WeakPolarHBondContact O-CG 3.38Å; K345-M349 PolarHBondContact O-N 3.2Å; M349-E352 PolarHBondContact O-N 2.95Å; M349-E353 VanDerWaalsContact O-CB 3.28Å; M349-E353 WeakPolarHBondContact O-CB 3.28Å; M349-E353 PolarHBondContact O-N 3.31Å |
| 350 | R | 86.1 | Confident | 86.4 | Confident | 167 Ų | 167 | 123 Ų | 123 | 63% | 0.63 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.3 | -39.4 | 174.7 | -75.8 | 176.1 | -175.2 | -168.4 | 2.8 | 112.2 | Q346 I347 E348 E353 E354 | Q346-R350 WeakPolarHBondContact O-CB 3.38Å; Q346-R350 VanDerWaalsContact O-CG 3.28Å; Q346-R350 WeakPolarHBondContact O-CG 3.39Å; Q346-R350 PolarHBondContact O-N 2.85Å; I347-R350 PolarHBondContact O-N 3.38Å; E348-R350 VanDerWaalsContact C-N 3.33Å; E348-R350 PolarHBondContact O-N 3.29Å; R350-E353 PolarHBondContact O-N 3.48Å; R350-E354 WeakPolarHBondContact O-CB 3.48Å; R350-E354 WeakPolarHBondContact O-CG 3.39Å; R350-E354 PolarHBondContact O-N 2.77Å |
| 351 | H | 88.4 | Confident | 85.9 | Confident | 117 Ų | 117 | 124.1 Ų | 124.1 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.9 | -36.9 | 174.3 | -84.5 | -62.2 | 0 | 0 | 0 | 112.5 | I347 E348 R355 | I347-H351 PolarHBondContact O-CD2 2.89Å; I347-H351 VanDerWaalsContact O-CD2 3.31Å; I347-H351 PolarHBondContact O-N 2.82Å; E348-H351 PolarHBondContact O-N 3.26Å; E348-H351 VanDerWaalsContact O-N 3.14Å; H351-R355 VanDerWaalsContact O-CB 3.22Å; H351-R355 WeakPolarHBondContact O-CB 3.49Å; H351-R355 PolarHBondContact O-N 2.86Å |
| 352 | E | 87 | Confident | 85.2 | Confident | 96 Ų | 96 | 126.2 Ų | 126.2 | 45% | 0.449 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 173.9 | -164.3 | -173.2 | 163.6 | 0 | 0 | 111.5 | E348 M349 R355 R356 | E348-E352 PolarHBondContact O-N 3.3Å; M349-E352 PolarHBondContact O-N 2.95Å; E352-R355 WeakPolarHBondContact O-CB 3.22Å; E352-R355 PolarHBondContact O-N 3.14Å; E352-R356 WeakPolarHBondContact O-CG 3.41Å; E352-R356 PolarHBondContact O-N 2.96Å; E352-R356 IonicContact OE1-CZ 3.2Å; E352-R356 IonicContact OE1-NE 3.6Å; E352-R356 PolarHBondContact OE1-NE 3.38Å; E352-R356 IonicContact OE1-NH2 2.77Å; E352-R356 PolarHBondContact OE1-NH2 3.33Å |
| 353 | E | 84.2 | Confident | 84.3 | Confident | 139 Ų | 139 | 126.6 Ų | 126.6 | 65% | 0.65 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.6 | -45 | 176 | -172.1 | 177.2 | -163.9 | 0 | 0 | 111.8 | M349 R350 R355 R356 R357 | M349-E353 VanDerWaalsContact O-CB 3.28Å; M349-E353 WeakPolarHBondContact O-CB 3.28Å; M349-E353 PolarHBondContact O-N 3.31Å; R350-E353 PolarHBondContact O-N 3.48Å; E353-R355 VanDerWaalsContact C-N 3.28Å; E353-R355 PolarHBondContact O-N 2.79Å; E353-R356 PolarHBondContact O-N 2.89Å; E353-R357 VanDerWaalsContact O-CB 3.29Å; E353-R357 WeakPolarHBondContact O-CB 3.48Å; E353-R357 PolarHBondContact O-N 3.4Å |
| 354 | E | 82.3 | Confident | 83.3 | Confident | 93 Ų | 93 | 127 Ų | 127 | 44% | 0.435 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -58.6 | -40.8 | 170.6 | -83.5 | -169 | -171.5 | 0 | 0 | 111.9 | R350 R357 R358 | R350-E354 WeakPolarHBondContact O-CB 3.48Å; R350-E354 WeakPolarHBondContact O-CG 3.39Å; R350-E354 PolarHBondContact O-N 2.77Å; E354-R357 PolarHBondContact O-N 2.99Å; E354-R358 VanDerWaalsContact O-CG 3.31Å; E354-R358 WeakPolarHBondContact O-CG 3.39Å; E354-R358 PolarHBondContact O-N 2.82Å; E354-R358 IonicContact OE2-CZ 2.72Å; E354-R358 IonicContact OE2-NH1 3.36Å; E354-R358 IonicContact OE2-NH2 3.95Å; E354-R358 PolarHBondContact OE2-NH2 2.87Å |
| 355 | R | 84.9 | Confident | 82.5 | Confident | 159 Ų | 159 | 125.2 Ų | 125.2 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66 | -49.4 | 178.9 | 179.6 | -179.5 | 170.3 | 177.2 | -1.5 | 111.1 | H351 E352 E353 R357 R358 E359 | H351-R355 VanDerWaalsContact O-CB 3.22Å; H351-R355 WeakPolarHBondContact O-CB 3.49Å; H351-R355 PolarHBondContact O-N 2.86Å; E352-R355 WeakPolarHBondContact O-CB 3.22Å; E352-R355 PolarHBondContact O-N 3.14Å; E353-R355 VanDerWaalsContact C-N 3.28Å; E353-R355 PolarHBondContact O-N 2.79Å; R355-R357 VanDerWaalsContact C-N 3.29Å; R355-R357 PolarHBondContact O-N 2.72Å; R355-R358 PolarHBondContact O-N 3.13Å; R355-E359 WeakPolarHBondContact CG-OE1 3.39Å; R355-E359 IonicContact CZ-OE1 3.22Å; R355-E359 IonicContact NE-OE1 3.53Å; R355-E359 PolarHBondContact NE-OE1 3.4Å; R355-E359 IonicContact NH2-OE1 2.62Å; R355-E359 PolarHBondContact NH2-OE1 3.48Å; R355-E359 WeakPolarHBondContact O-CG 3.38Å; R355-E359 PolarHBondContact O-N 3.42Å |
| 356 | R | 84.1 | Confident | 81.5 | Confident | 144 Ų | 144 | 126.3 Ų | 126.3 | 54% | 0.543 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57 | -44.3 | 174.9 | -74.6 | -178.6 | -173.1 | -148.7 | 4.7 | 111.1 | E352 E353 R358 E359 E360 | E352-R356 WeakPolarHBondContact O-CG 3.41Å; E352-R356 PolarHBondContact O-N 2.96Å; E352-R356 IonicContact OE1-CZ 3.2Å; E352-R356 IonicContact OE1-NE 3.6Å; E352-R356 PolarHBondContact OE1-NE 3.38Å; E352-R356 IonicContact OE1-NH2 2.77Å; E352-R356 PolarHBondContact OE1-NH2 3.33Å; E353-R356 PolarHBondContact O-N 2.89Å; R356-R358 PolarHBondContact O-N 3.41Å; R356-E359 CarbonylContact O-C 3.52Å; R356-E359 WeakPolarHBondContact O-CB 3.29Å; R356-E359 PolarHBondContact O-N 3.18Å; R356-E359 VanDerWaalsContact O-N 3.13Å; R356-E360 WeakPolarHBondContact O-CG 3.5Å; R356-E360 PolarHBondContact O-N 2.91Å |
| 357 | R | 83.6 | Confident | 80.3 | Confident | 161 Ų | 161 | 126.6 Ų | 126.6 | 61% | 0.608 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.4 | -39.2 | 177.8 | -172.3 | 176.5 | 170.6 | -179.4 | 2.6 | 112.8 | E353 E354 R355 E360 E361 | E353-R357 VanDerWaalsContact O-CB 3.29Å; E353-R357 WeakPolarHBondContact O-CB 3.48Å; E353-R357 PolarHBondContact O-N 3.4Å; E354-R357 PolarHBondContact O-N 2.99Å; R355-R357 VanDerWaalsContact C-N 3.29Å; R355-R357 PolarHBondContact O-N 2.72Å; R357-E360 PolarHBondContact O-N 2.91Å; R357-E361 IonicContact NE-OE1 2.7Å; R357-E361 PolarHBondContact NE-OE1 3.3Å; R357-E361 IonicContact NH2-OE1 3.92Å; R357-E361 WeakPolarHBondContact O-CB 3.31Å; R357-E361 WeakPolarHBondContact O-CG 3.41Å; R357-E361 PolarHBondContact O-N 3.42Å |
| 358 | R | 81.6 | Confident | 79 | Confident | 144 Ų | 144 | 129.1 Ų | 129.1 | 54% | 0.543 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.8 | -35.9 | 172.7 | -71.3 | 173.3 | -168.7 | 148.8 | 15.8 | 112.5 | E354 R355 R356 M362 | E354-R358 VanDerWaalsContact O-CG 3.31Å; E354-R358 WeakPolarHBondContact O-CG 3.39Å; E354-R358 PolarHBondContact O-N 2.82Å; E354-R358 IonicContact OE2-CZ 2.72Å; E354-R358 IonicContact OE2-NH1 3.36Å; E354-R358 IonicContact OE2-NH2 3.95Å; E354-R358 PolarHBondContact OE2-NH2 2.87Å; R355-R358 PolarHBondContact O-N 3.13Å; R356-R358 PolarHBondContact O-N 3.41Å; R358-M362 PolarHBondContact O-N 2.92Å |
| 359 | E | 80.8 | Confident | 77.8 | Confident | 82 Ų | 82 | 126.4 Ų | 126.4 | 38% | 0.383 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.6 | -40.6 | 174.1 | -71.4 | 170.9 | -177.6 | 0 | 0 | 111.1 | R355 R356 M362 M363 | R355-E359 WeakPolarHBondContact CG-OE1 3.39Å; R355-E359 IonicContact CZ-OE1 3.22Å; R355-E359 IonicContact NE-OE1 3.53Å; R355-E359 PolarHBondContact NE-OE1 3.4Å; R355-E359 IonicContact NH2-OE1 2.62Å; R355-E359 PolarHBondContact NH2-OE1 3.48Å; R355-E359 WeakPolarHBondContact O-CG 3.38Å; R355-E359 PolarHBondContact O-N 3.42Å; R356-E359 CarbonylContact O-C 3.52Å; R356-E359 WeakPolarHBondContact O-CB 3.29Å; R356-E359 PolarHBondContact O-N 3.18Å; R356-E359 VanDerWaalsContact O-N 3.13Å; E359-M362 PolarHBondContact O-N 2.88Å; E359-M363 WeakPolarHBondContact O-CG 3.34Å; E359-M363 PolarHBondContact O-N 3.36Å |
| 360 | E | 81.2 | Confident | 76.3 | Confident | 116 Ų | 116 | 126.3 Ų | 126.3 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 172 | -74 | 176.8 | -164.1 | 0 | 0 | 112.9 | R356 R357 M363 R364 | R356-E360 WeakPolarHBondContact O-CG 3.5Å; R356-E360 PolarHBondContact O-N 2.91Å; R357-E360 PolarHBondContact O-N 2.91Å; E360-M363 PolarHBondContact O-N 2.94Å; E360-R364 WeakPolarHBondContact O-CG 3.41Å; E360-R364 PolarHBondContact O-N 3.46Å |
| 361 | E | 77.9 | Confident | 74.9 | Confident | 104 Ų | 104 | 125.3 Ų | 125.3 | 49% | 0.486 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.8 | -39.5 | 175 | -77.7 | 171.9 | -174.4 | 0 | 0 | 111.5 | R357 R364 H365 | R357-E361 IonicContact NE-OE1 2.7Å; R357-E361 PolarHBondContact NE-OE1 3.3Å; R357-E361 IonicContact NH2-OE1 3.92Å; R357-E361 WeakPolarHBondContact O-CB 3.31Å; R357-E361 WeakPolarHBondContact O-CG 3.41Å; R357-E361 PolarHBondContact O-N 3.42Å; E361-R364 PolarHBondContact O-N 3.29Å; E361-H365 PolarHBondContact O-N 2.96Å |
| 362 | M | 77.3 | Confident | 73.4 | Confident | 127 Ų | 127 | 129.8 Ų | 129.8 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.8 | -39.2 | 171.2 | -81.1 | -168.1 | -69.6 | 0 | 0 | 112.9 | R358 E359 H365 R366 | R358-M362 PolarHBondContact O-N 2.92Å; E359-M362 PolarHBondContact O-N 2.88Å; M362-H365 PolarHBondContact O-N 2.99Å; M362-R366 WeakPolarHBondContact O-CB 3.46Å; M362-R366 PolarHBondContact O-N 2.89Å |
| 363 | M | 71.9 | Confident | 71.8 | Confident | 112 Ų | 112 | 135.8 Ų | 135.8 | 55% | 0.552 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.2 | -44.1 | 175.1 | -78.1 | -68.6 | -69.8 | 0 | 0 | 111.6 | E359 E360 H365 R366 E367 | E359-M363 WeakPolarHBondContact O-CG 3.34Å; E359-M363 PolarHBondContact O-N 3.36Å; E360-M363 PolarHBondContact O-N 2.94Å; M363-H365 VanDerWaalsContact C-N 3.34Å; M363-H365 PolarHBondContact O-N 3.14Å; M363-R366 WeakPolarHBondContact O-CB 3.29Å; M363-R366 PolarHBondContact O-N 3.43Å; M363-R366 VanDerWaalsContact O-N 3.14Å; M363-E367 PolarHBondContact O-N 2.98Å |
| 364 | R | 71.4 | Confident | 69.7 | Low | 174 Ų | 174 | 137.6 Ų | 137.6 | 66% | 0.657 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.9 | -38.4 | 174.4 | -73.8 | 173.5 | 178.7 | -98.4 | 1.2 | 112.6 | E360 E361 R366 Q368 | E360-R364 WeakPolarHBondContact O-CG 3.41Å; E360-R364 PolarHBondContact O-N 3.46Å; E361-R364 PolarHBondContact O-N 3.29Å; R364-R366 VanDerWaalsContact C-N 3.34Å; R364-Q368 VanDerWaalsContact O-CB 3.29Å; R364-Q368 WeakPolarHBondContact O-CB 3.47Å; R364-Q368 PolarHBondContact O-N 3.44Å |
| 365 | H | 71.5 | Confident | 67.9 | Low | 115 Ų | 115 | 139 Ų | 139 | 53% | 0.532 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.2 | -40.7 | 173.7 | -168.9 | -61 | 0 | 0 | 0 | 111.4 | E361 M362 M363 Q368 D369 | E361-H365 PolarHBondContact O-N 2.96Å; M362-H365 PolarHBondContact O-N 2.99Å; M363-H365 VanDerWaalsContact C-N 3.34Å; M363-H365 PolarHBondContact O-N 3.14Å; H365-Q368 PolarHBondContact O-N 3.34Å; H365-D369 IonicContact CE1-OD2 3.1Å; H365-D369 PolarHBondContact CE1-OD2 3Å; H365-D369 IonicContact ND1-OD2 3Å; H365-D369 PolarHBondContact ND1-OD2 3.1Å; H365-D369 PolarHBondContact O-N 3.25Å |
| 366 | R | 69.3 | Low | 65.5 | Low | 160 Ų | 160 | 139.7 Ų | 139.7 | 60% | 0.604 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.2 | -44.1 | 177.8 | -173.4 | 177.7 | 179.7 | 164.2 | 2.2 | 112.5 | M362 M363 R364 Q368 D369 E370 | M362-R366 WeakPolarHBondContact O-CB 3.46Å; M362-R366 PolarHBondContact O-N 2.89Å; M363-R366 WeakPolarHBondContact O-CB 3.29Å; M363-R366 PolarHBondContact O-N 3.43Å; M363-R366 VanDerWaalsContact O-N 3.14Å; R364-R366 VanDerWaalsContact C-N 3.34Å; R366-Q368 VanDerWaalsContact C-N 3.29Å; R366-Q368 PolarHBondContact O-N 3.01Å; R366-D369 PolarHBondContact O-N 3Å; R366-E370 PolarHBondContact O-N 3.48Å |
| 367 | E | 63.6 | Low | 63.1 | Low | 109 Ų | 109 | 136.5 Ų | 136.5 | 51% | 0.509 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -59.8 | -40 | 171.9 | -72.8 | -178.7 | 138.2 | 0 | 0 | 111.3 | M363 E370 L371 | M363-E367 PolarHBondContact O-N 2.98Å; E367-E370 PolarHBondContact O-N 2.95Å; E367-L371 WeakPolarHBondContact O-CD1 3.17Å; E367-L371 PolarHBondContact O-N 3.33Å |
| 368 | Q | 61.5 | Low | 60.9 | Low | 140 Ų | 140 | 133 Ų | 133 | 65% | 0.654 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69 | -31.9 | 178.7 | -170.5 | 165.6 | 90.6 | 0 | 0 | 113.1 | R364 H365 R366 R372 | R364-Q368 VanDerWaalsContact O-CB 3.29Å; R364-Q368 WeakPolarHBondContact O-CB 3.47Å; R364-Q368 PolarHBondContact O-N 3.44Å; H365-Q368 PolarHBondContact O-N 3.34Å; R366-Q368 VanDerWaalsContact C-N 3.29Å; R366-Q368 PolarHBondContact O-N 3.01Å; Q368-R372 PolarHBondContact O-N 3.2Å |
| 369 | D | 58.8 | Low | 58.5 | Low | 76 Ų | 76 | 129.9 Ų | 129.9 | 41% | 0.406 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -73.3 | -33.4 | 169.9 | -81.2 | -36.7 | 0 | 0 | 0 | 112.8 | H365 R366 R372 | H365-D369 IonicContact CE1-OD2 3.1Å; H365-D369 PolarHBondContact CE1-OD2 3Å; H365-D369 IonicContact ND1-OD2 3Å; H365-D369 PolarHBondContact ND1-OD2 3.1Å; H365-D369 PolarHBondContact O-N 3.25Å; R366-D369 PolarHBondContact O-N 3Å; D369-R372 WeakPolarHBondContact O-CB 3.42Å; D369-R372 PolarHBondContact O-N 3.31Å |
| 370 | E | 55.9 | Low | 56.3 | Low | 118 Ų | 118 | 129.6 Ų | 129.6 | 55% | 0.551 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.2 | -41.1 | 172.7 | -78 | 179.7 | 174.5 | 0 | 0 | 111.9 | R366 E367 R372 R373 | R366-E370 PolarHBondContact O-N 3.48Å; E367-E370 PolarHBondContact O-N 2.95Å; E370-R372 PolarHBondContact O-N 3.29Å; E370-R373 PolarHBondContact O-N 2.86Å |
| 371 | L | 55.2 | Low | 54.2 | Low | 145 Ų | 145 | 130.3 Ų | 130.3 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -61.8 | -22.5 | 171.6 | -95.1 | 85.1 | 0 | 0 | 0 | 113 | E367 R373 | E367-L371 WeakPolarHBondContact O-CD1 3.17Å; E367-L371 PolarHBondContact O-N 3.33Å; L371-R373 PolarHBondContact O-N 3.42Å |
| 372 | R | 56.9 | Low | 52.1 | Low | 212 Ų | 212 | 129 Ų | 129 | 80% | 0.8 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -3.1 | 173.1 | -104.3 | 177.3 | 165.3 | 176 | -3.5 | 114.3 | Q368 D369 E370 | Q368-R372 PolarHBondContact O-N 3.2Å; D369-R372 WeakPolarHBondContact O-CB 3.42Å; D369-R372 PolarHBondContact O-N 3.31Å; E370-R372 PolarHBondContact O-N 3.29Å |
| 373 | R | 53.5 | Low | 49.8 | Very low | 222 Ų | 222 | 132.1 Ų | 132.1 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 15.1 | -174.8 | -76.7 | -169.5 | 171.3 | -132.3 | 1.5 | 115.7 | E370 L371 | E370-R373 PolarHBondContact O-N 2.86Å; L371-R373 PolarHBondContact O-N 3.42Å |
| 374 | Q | 41 | Very low | 48.5 | Very low | 176 Ų | 176 | 132.9 Ų | 132.9 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | trans | -111.3 | 117.6 | 170.3 | -74.7 | -170.2 | 11.2 | 0 | 0 | 112.7 | ||||
| 375 | P | 43.3 | Very low | 47.4 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | trans | -88.6 | 156.5 | 156 | 34.9 | -30.2 | 0 | 0 | 0 | 111.8 | ||||
| 376 | D | 35.4 | Very low | 45.4 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | trans | -43.9 | 154.8 | 177.4 | -81.6 | -81.8 | 0 | 0 | 0 | 117.7 | ||||
| 377 | G | 34.3 | Very low | 43.7 | Very low | 77 Ų | 77 | 131.6 Ų | 131.6 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | 160.5 | 80.3 | 159 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 378 | G | 35.9 | Very low | 42.4 | Very low | 88 Ų | 88 | 133.4 Ų | 133.4 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | -71.6 | 149.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 379 | G | 31.9 | Very low | 40.9 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | trans | 173.3 | 109.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 380 | G | 34.2 | Very low | 39.5 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | 70.1 | 110.7 | 137.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 381 | S | 36.4 | Very low | 38.4 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | 47.5 | 114.6 | 119.9 | 170.6 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 382 | G | 34.7 | Very low | 37.2 | Very low | 78 Ų | 78 | 138.4 Ų | 138.4 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -156.7 | 57.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 383 | F | 29.3 | Very low | 36.1 | Very low | 192 Ų | 192 | 136.2 Ų | 136.2 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | 15.8 | 125.7 | 151.9 | -157.1 | -105.3 | 0 | 0 | 0 | 121.9 | P385 | F383-P385 HydrophobicContact CE1-CG 4.35Š| ||
| 384 | V | 44.1 | Very low | 35.1 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -83.1 | 139.2 | 169.1 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 385 | P | 48.4 | Very low | 34.8 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 62% | 0.617 | 77% | 0.771 | S | S | * | * | -154.8 | 171.3 | 100.1 | 40.1 | -19.1 | 0 | 0 | 0 | 114.9 | F383 | F383-P385 HydrophobicContact CE1-CG 4.35Š| |||
| 386 | N | 30.7 | Very low | 35 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | cis | -171.2 | 133.9 | 44.9 | -157.2 | 31.2 | 0 | 0 | 0 | 114 | ||||
| 387 | Y | 32.6 | Very low | 35.1 | Very low | 190 Ų | 190 | 137.6 Ų | 137.6 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | trans | 28.7 | 153.7 | 141.2 | -84.3 | -100.1 | 0 | 0 | 0 | 127 | ||||
| 388 | H | 35.5 | Very low | 35.1 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | 84 | 137.3 | 157.7 | -72.3 | -76.1 | 0 | 0 | 0 | 119.3 | ||||
| 389 | E | 31.4 | Very low | 35 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 65% | 0.654 | 77% | 0.765 | S | S | * | * | cis | -168.3 | 163.2 | -20.3 | -156.6 | 171.8 | -175 | 0 | 0 | 111.1 | ||||
| 390 | N | 29.7 | Very low | 35.4 | Very low | 125 Ų | 125 | 146 Ų | 146 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | trans | 69.4 | 152.6 | 161.7 | -70.9 | -45.1 | 0 | 0 | 0 | 118.6 | ||||
| 391 | R | 31.2 | Very low | 35.5 | Very low | 189 Ų | 189 | 145.6 Ų | 145.6 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | cis | -170.9 | 129.8 | -28.5 | 179.8 | 163.7 | 178.6 | 161.7 | 2.5 | 108.5 | ||||
| 392 | E | 31.2 | Very low | 36.1 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 60% | 0.603 | 76% | 0.761 | S | S | * | * | trans | 65.3 | 156.3 | 160.5 | -73.3 | 167.2 | -153.7 | 0 | 0 | 120.5 | ||||
| 393 | Q | 32.9 | Very low | 36.2 | Very low | 166 Ų | 166 | 154.1 Ų | 154.1 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 75.7 | 81.3 | 157 | -71.3 | 158.9 | 43.3 | 0 | 0 | 120.1 | ||||
| 394 | E | 33.7 | Very low | 36.3 | Very low | 186 Ų | 186 | 148.9 Ų | 148.9 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | 0.7 | 116 | 124.2 | -174.4 | 178.1 | -149.2 | 0 | 0 | 118 | |||||
| 395 | M | 34.8 | Very low | 36 | Very low | 161 Ų | 161 | 148.1 Ų | 148.1 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | -171.9 | 126.7 | 143.1 | -103.5 | -178.3 | -71 | 0 | 0 | 106.4 | ||||
| 396 | R | 45.6 | Very low | 35.3 | Very low | 241 Ų | 241 | 147.5 Ų | 147.5 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | 52.9 | 76.2 | 58.4 | -154.2 | -179.5 | -164.5 | 173.8 | 5.7 | 113 | |||||
| 397 | V | 38 | Very low | 35.5 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -122.9 | 135.4 | 161.4 | -177.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 398 | G | 34.3 | Very low | 36 | Very low | 66 Ų | 66 | 148.9 Ų | 148.9 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | cis | 134.7 | 78.2 | 8.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 399 | E | 35.3 | Very low | 35.9 | Very low | 185 Ų | 185 | 144.8 Ų | 144.8 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -56.8 | 131.5 | 159.9 | 176.6 | -174.5 | 171 | 0 | 0 | 109.2 | ||||
| 400 | L | 38.6 | Very low | 36.1 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | trans | 171 | 135.6 | 143.5 | -96.4 | 161 | 0 | 0 | 0 | 113.6 | ||||
| 401 | G | 37.8 | Very low | 36.2 | Very low | 67 Ų | 67 | 143.9 Ų | 143.9 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | 83.3 | 154.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 402 | P | 48.7 | Very low | 36.4 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | -132.8 | 154.9 | 58 | 37.1 | -23.8 | 0 | 0 | 0 | 116.2 | |||||
| 403 | R | 36 | Very low | 36.6 | Very low | 255 Ų | 255 | 145.5 Ų | 145.5 | 96% | 0.962 | 83% | 0.834 | S | S | * | * | trans | -132.3 | 130.6 | 155.4 | -115.3 | -172.9 | 170.4 | -174 | -3 | 107.8 | ||||
| 404 | G | 32.2 | Very low | 36.9 | Very low | 81 Ų | 81 | 146.9 Ų | 146.9 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | trans | -166.9 | 115.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 405 | A | 37.3 | Very low | 37 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 93% | 0.926 | 84% | 0.835 | S | S | * | * | trans | -86.1 | 147.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 406 | G | 33.2 | Very low | 37.2 | Very low | 81 Ų | 81 | 140.3 Ų | 140.3 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | -147.9 | 138.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 407 | N | 35.7 | Very low | 36.6 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -117.5 | 123.1 | -160 | 174.8 | 81.7 | 0 | 0 | 0 | 112.5 | ||||
| 408 | M | 41.9 | Very low | 36.4 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 96% | 0.961 | 83% | 0.83 | S | S | * | * | trans | -174.2 | 143.8 | 165.8 | -100.3 | 167.2 | 176.6 | 0 | 0 | 106.5 | ||||
| 409 | G | 35.1 | Very low | 37.4 | Very low | 63 Ų | 63 | 132.4 Ų | 132.4 | 65% | 0.649 | 84% | 0.835 | S | S | * | * | cis | 148.4 | 120.6 | 1.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 410 | D | 34.9 | Very low | 37.6 | Very low | 179 Ų | 179 | 129.8 Ų | 129.8 | 96% | 0.957 | 83% | 0.832 | S | S | * | * | trans | 63.7 | 147.1 | 179.2 | -53.1 | -44.1 | 0 | 0 | 0 | 117.5 | ||||
| 411 | G | 32.8 | Very low | 37.4 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 82% | 0.823 | S | S | * | * | cis | 176.9 | 167.7 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 412 | F | 34.5 | Very low | 37.3 | Very low | 202 Ų | 202 | 129.2 Ų | 129.2 | 89% | 0.886 | 83% | 0.83 | S | S | * | * | trans | 81.4 | 100.9 | 170.5 | -79.2 | -92.3 | 0 | 0 | 0 | 122.8 | ||||
| 413 | N | 36.3 | Very low | 37.1 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 81% | 0.807 | 83% | 0.829 | S | S | * | * | 28.9 | 129.4 | 129.7 | -80.8 | -9.2 | 0 | 0 | 0 | 122.6 | |||||
| 414 | Q | 38.8 | Very low | 37 | Very low | 195 Ų | 195 | 123.1 Ų | 123.1 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | -155.5 | 162.2 | 95.1 | -152.9 | 162.4 | 51.4 | 0 | 0 | 112.7 | |||||
| 415 | A | 36.2 | Very low | 37.3 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 74% | 0.744 | 82% | 0.822 | S | S | * | * | trans | -70.4 | 177.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 416 | S | 37.3 | Very low | 37.2 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | cis | -167 | 150.9 | 17 | 42.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 417 | G | 33.4 | Very low | 37.2 | Very low | 81 Ų | 81 | 135.5 Ų | 135.5 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | 105.7 | 107.7 | 137.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 418 | G | 35.1 | Very low | 37.2 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -97.1 | -148.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 419 | P | 54.3 | Low | 36.8 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | cis | -123.2 | -165.7 | -12.7 | 37.3 | -16.8 | 0 | 0 | 0 | 110.3 | ||||
| 420 | T | 38.9 | Very low | 36.8 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | cis | -161.4 | 144.6 | 27.1 | -18 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 421 | G | 34.1 | Very low | 36.7 | Very low | 66 Ų | 66 | 125.6 Ų | 125.6 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | -82.7 | -157.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 422 | N | 36.3 | Very low | 36.7 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | cis | -162.5 | 172.8 | 6.3 | -167.9 | 18.4 | 0 | 0 | 0 | 109.8 | ||||
| 423 | Q | 45 | Very low | 36.5 | Very low | 182 Ų | 182 | 129 Ų | 129 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -64 | 159 | 165.5 | -71.5 | 176.3 | -24.6 | 0 | 0 | 112.9 | ||||
| 424 | G | 33 | Very low | 36.4 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -149.6 | 143.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 425 | Q | 38.2 | Very low | 36.2 | Very low | 177 Ų | 177 | 120.5 Ų | 120.5 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -108.8 | 149.6 | -175.1 | -78.5 | 176.2 | -24.7 | 0 | 0 | 113.4 | ||||
| 426 | M | 35.9 | Very low | 36.1 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 82% | 0.823 | 81% | 0.813 | S | S | * | * | trans | 49.9 | 131.4 | 143.4 | -65.4 | -160.9 | -84.5 | 0 | 0 | 123.7 | ||||
| 427 | M | 33.9 | Very low | 35.9 | Very low | 189 Ų | 189 | 122.8 Ų | 122.8 | 93% | 0.931 | 81% | 0.808 | S | S | * | * | trans | 175.3 | 136.5 | 140.6 | -91.5 | -66.7 | -161.9 | 0 | 0 | 105.4 | ||||
| 428 | G | 34.5 | Very low | 36.9 | Very low | 71 Ų | 71 | 124.5 Ų | 124.5 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | 103 | 130.9 | 55.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 429 | V | 35.1 | Very low | 36.8 | Very low | 132 Ų | 132 | 130 Ų | 130 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | cis | -169.9 | 158.7 | 26.6 | 143.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 430 | S | 33.9 | Very low | 35.7 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | 69.4 | 145.9 | 161.2 | 68.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 431 | G | 33.2 | Very low | 35.6 | Very low | 68 Ų | 68 | 127.9 Ų | 127.9 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | cis | 174.8 | 166.9 | -6.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 432 | R | 32.9 | Very low | 35.5 | Very low | 261 Ų | 261 | 131 Ų | 131 | 99% | 0.985 | 82% | 0.819 | S | S | * | * | trans | 75.5 | 133.4 | -173.7 | -64 | -177.4 | 164.5 | -165.7 | -4.6 | 116.7 | ||||
| 433 | G | 30.8 | Very low | 35.6 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | cis | 159.7 | 117 | -14.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 434 | G | 33.3 | Very low | 35.5 | Very low | 83 Ų | 83 | 130.8 Ų | 130.8 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | 75 | 151.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 435 | A | 35 | Very low | 35.4 | Very low | 84 Ų | 84 | 130.8 Ų | 130.8 | 69% | 0.694 | 82% | 0.82 | S | S | * | * | cis | -165.5 | 155 | -9.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 436 | I | 34.8 | Very low | 35.3 | Very low | 169 Ų | 169 | 129.1 Ų | 129.1 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | 75.7 | 123.9 | 154.7 | -59.2 | 151.6 | 0 | 0 | 0 | 119.3 | ||||
| 437 | A | 31.4 | Very low | 35.9 | Very low | 87 Ų | 87 | 126.9 Ų | 126.9 | 72% | 0.719 | 82% | 0.82 | S | S | * | * | trans | -115.2 | -171.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 438 | P | 55.4 | Low | 36 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | cis | -118.8 | -168.7 | 6.4 | 34.8 | -12 | 0 | 0 | 0 | 111.3 | ||||
| 439 | E | 32.2 | Very low | 36.2 | Very low | 191 Ų | 191 | 131 Ų | 131 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | cis | -137.5 | 178 | 24.4 | -56.1 | 176.9 | 125.3 | 0 | 0 | 108.2 | ||||
| 440 | G | 31.6 | Very low | 36.2 | Very low | 65 Ų | 65 | 129.9 Ų | 129.9 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | cis | 146.9 | 108.5 | 32.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 441 | T | 36.4 | Very low | 36.2 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -6.8 | 138.9 | 173.1 | 56.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 442 | S | 33.4 | Very low | 36.4 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | trans | -144.7 | 144 | 150.4 | -80.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 443 | N | 37.8 | Very low | 36.5 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -109 | -177.4 | -167.1 | -165.7 | 11 | 0 | 0 | 0 | 111.3 | ||||
| 444 | M | 42.1 | Very low | 36.7 | Very low | 181 Ų | 181 | 129.9 Ų | 129.9 | 89% | 0.892 | 82% | 0.822 | S | S | * | * | trans | -35.1 | 143.9 | 178.1 | -65.1 | -176.5 | 173.2 | 0 | 0 | 116.5 | ||||
| 445 | G | 31.4 | Very low | 37 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -139.8 | 118 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 446 | T | 36.4 | Very low | 36.8 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 87% | 0.871 | 84% | 0.835 | S | S | * | * | trans | -85.4 | 155.5 | 156.8 | 12.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 447 | P | 49.4 | Very low | 36.8 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | trans | -91.4 | 148 | -163.9 | 35.1 | -35.2 | 0 | 0 | 0 | 114.3 | ||||
| 448 | M | 34.5 | Very low | 37 | Very low | 180 Ų | 180 | 143 Ų | 143 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | trans | -141.9 | 134.2 | 164.2 | -91.9 | -70 | -155.9 | 0 | 0 | 111.6 | ||||
| 449 | M | 39.1 | Very low | 35.8 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 83% | 0.828 | 83% | 0.834 | S | S | * | * | trans | -8.4 | 137.4 | 162.6 | -53.6 | -61.1 | 177.9 | 0 | 0 | 121 | ||||
| 450 | S | 36.3 | Very low | 35.8 | Very low | 108 Ų | 108 | 149.8 Ų | 149.8 | 76% | 0.755 | 83% | 0.833 | S | S | * | * | trans | 175 | 158.5 | 133.2 | -98.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 451 | E | 33.2 | Very low | 37 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | cis | -170.4 | 146.7 | -20.2 | 177.4 | 174.6 | 136.4 | 0 | 0 | 105.3 | ||||
| 452 | N | 37.8 | Very low | 37.1 | Very low | 172 Ų | 172 | 153.9 Ų | 153.9 | 92% | 0.92 | 83% | 0.834 | S | S | * | * | trans | -159 | 129.1 | 165.9 | -126.2 | -18.8 | 0 | 0 | 0 | 111.3 | ||||
| 453 | G | 34.5 | Very low | 37 | Very low | 72 Ų | 72 | 151.6 Ų | 151.6 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | trans | -146.8 | 142 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 454 | A | 34.2 | Very low | 36.7 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | trans | -159.4 | 144.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 455 | M | 39.6 | Very low | 36.5 | Very low | 181 Ų | 181 | 145 Ų | 145 | 89% | 0.892 | 83% | 0.826 | S | S | * | * | trans | -95.1 | 161.4 | -168.8 | -55 | 169.3 | 175.8 | 0 | 0 | 113.3 | ||||
| 456 | R | 31.1 | Very low | 36.8 | Very low | 246 Ų | 246 | 150 Ų | 150 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | -176.9 | 134.9 | 113.4 | -100.1 | 172 | 179.6 | -144.1 | -1.2 | 115.9 | |||||
| 457 | N | 35.1 | Very low | 36.6 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 72% | 0.717 | 83% | 0.83 | S | S | * | * | trans | -21.1 | 162.7 | 151.4 | -76.1 | 36.3 | 0 | 0 | 0 | 118.6 | ||||
| 458 | D | 35.2 | Very low | 35.8 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 74% | 0.743 | 83% | 0.827 | S | S | * | * | cis | -164.9 | 178.8 | 16.4 | -131 | -44.7 | 0 | 0 | 0 | 113.4 | ||||
| 459 | R | 30.2 | Very low | 35.7 | Very low | 231 Ų | 231 | 147.4 Ų | 147.4 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | trans | 104.3 | 101.3 | 149.2 | -161 | 172.1 | -70.1 | -168 | -1.9 | 121.1 | ||||
| 460 | Y | 33.4 | Very low | 35.4 | Very low | 219 Ų | 219 | 143.8 Ų | 143.8 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -77.9 | -177.3 | 154.4 | -96.7 | -92.9 | 0 | 0 | 0 | 112.1 | ||||
| 461 | P | 57.2 | Low | 35.2 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | cis | -125 | -162.7 | -6.7 | 30.7 | -6 | 0 | 0 | 0 | 112 | ||||
| 462 | Q | 37.7 | Very low | 35.4 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | cis | -169.1 | 143.6 | 26.6 | -163.9 | 175.2 | 20.3 | 0 | 0 | 114.1 | ||||
| 463 | G | 30.5 | Very low | 35.2 | Very low | 82 Ų | 82 | 143.2 Ų | 143.2 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | 75.4 | 138.1 | 153.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 464 | G | 32.3 | Very low | 35.2 | Very low | 74 Ų | 74 | 145 Ų | 145 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | cis | 171.3 | 149.2 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 465 | S | 37.2 | Very low | 36.3 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | 35.7 | 144.4 | 150.6 | -75.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 466 | M | 38.3 | Very low | 36.1 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | cis | -142.5 | 159.9 | 3.2 | -83 | -165.1 | -175.5 | 0 | 0 | 107.3 | ||||
| 467 | G | 32.7 | Very low | 36.3 | Very low | 84 Ų | 84 | 141.6 Ų | 141.6 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | cis | 108.8 | 144.8 | 47 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 468 | G | 31.2 | Very low | 36.3 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | cis | -145.1 | 167.4 | -5.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 469 | R | 32.6 | Very low | 36.3 | Very low | 235 Ų | 235 | 143.4 Ų | 143.4 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | 48 | 133.7 | 97.2 | -73.9 | -167.2 | 172.6 | -156 | -3.1 | 114.7 | |||||
| 470 | S | 32.5 | Very low | 36.5 | Very low | 92 Ų | 92 | 140.7 Ų | 140.7 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | cis | -154.6 | 150.2 | 23.3 | -29.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 471 | E | 33.8 | Very low | 37.4 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | 69.4 | 146.4 | 96.7 | -66.6 | -178.4 | 76.9 | 0 | 0 | 116.3 | |||||
| 472 | V | 37.4 | Very low | 36.4 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 64% | 0.642 | 79% | 0.785 | S | S | * | * | cis | -169.9 | 154.9 | -9.4 | 120.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 473 | E | 33.5 | Very low | 36.2 | Very low | 179 Ų | 179 | 133.1 Ų | 133.1 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | 44.5 | 158.2 | 154.5 | -65.7 | 178 | 101.8 | 0 | 0 | 126.3 | ||||
| 474 | S | 33.6 | Very low | 37.1 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -102.1 | -159.4 | 164.3 | -53.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 475 | P | 56.7 | Low | 37.4 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | cis | -143 | -177.3 | -3 | 36.2 | -12.9 | 0 | 0 | 0 | 117.5 | ||||
| 476 | K | 36.5 | Very low | 37.2 | Very low | 183 Ų | 183 | 139 Ų | 139 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | 127.4 | 145.6 | 141.5 | -79.9 | -177.7 | 172.2 | 175.5 | 0 | 119.6 | ||||
| 477 | Q | 35.3 | Very low | 37.1 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | trans | 68.4 | 151.8 | 152.2 | -81.1 | 175.9 | -18.5 | 0 | 0 | 119.3 | ||||
| 478 | Q | 34.4 | Very low | 38.1 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 66% | 0.659 | 78% | 0.777 | S | S | * | * | cis | -168 | 159.8 | -26.2 | -138.7 | -172.3 | 2.7 | 0 | 0 | 110.6 | ||||
| 479 | Q | 34.6 | Very low | 38.4 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 74.9 | 150.5 | 155.8 | -64.2 | 179.8 | 58.8 | 0 | 0 | 122 | ||||
| 480 | Q | 36.1 | Very low | 39.4 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -102.4 | 175.7 | 176.7 | -49.5 | 175.6 | -3.1 | 0 | 0 | 110.7 | ||||
| 481 | P | 52.2 | Low | 39.5 | Very low | 113 Ų | 113 | 131 Ų | 131 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | -156.5 | 155.1 | 82.9 | 39.3 | -18.4 | 0 | 0 | 0 | 119.8 | |||||
| 482 | L | 35.6 | Very low | 39.6 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | 38.2 | 112.4 | 136.9 | -63.1 | 161.7 | 0 | 0 | 0 | 125 | ||||
| 483 | G | 32.3 | Very low | 39.4 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 66.5 | 176.7 | 131.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 484 | P | 51.1 | Low | 39.5 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | cis | -137.4 | 168.6 | -3.6 | 42.7 | -25.6 | 0 | 0 | 0 | 117.9 | ||||
| 485 | Q | 37.9 | Very low | 39.4 | Very low | 203 Ų | 203 | 135.5 Ų | 135.5 | 95% | 0.949 | 80% | 0.799 | S | S | * | * | trans | 51.4 | 136.1 | 146.7 | -72 | -168.7 | 79.6 | 0 | 0 | 125.3 | ||||
| 486 | G | 32.8 | Very low | 38.7 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 152.7 | 111.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 487 | G | 35.6 | Very low | 39.3 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -105.1 | -152.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 488 | P | 53.5 | Low | 39.4 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | cis | -139.6 | 164.7 | -18.3 | 40.8 | -24.2 | 0 | 0 | 0 | 116.1 | ||||
| 489 | A | 37.9 | Very low | 40.3 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | 63.1 | -179.5 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 490 | P | 54.9 | Low | 40.3 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | -130 | 174.9 | -67.4 | 39.1 | -25.5 | 0 | 0 | 0 | 114.2 | |||||
| 491 | G | 34.4 | Very low | 40.4 | Very low | 78 Ų | 78 | 124.1 Ų | 124.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -169.3 | 133.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 492 | Y | 35.8 | Very low | 39.3 | Very low | 225 Ų | 225 | 127.7 Ų | 127.7 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | -110.3 | 162.7 | -169.6 | -96.7 | -98.2 | 0 | 0 | 0 | 114.4 | ||||
| 493 | S | 33.2 | Very low | 39.4 | Very low | 97 Ų | 97 | 126 Ų | 126 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | trans | 92 | 115.4 | 140.9 | -78 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 494 | R | 36.1 | Very low | 39.4 | Very low | 247 Ų | 247 | 125.6 Ų | 125.6 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | 55.6 | 136.5 | 124.7 | -80.8 | -176.2 | 171 | -172.4 | -1 | 121.7 | |||||
| 495 | G | 31.2 | Very low | 39.4 | Very low | 77 Ų | 77 | 126 Ų | 126 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | 155.4 | 103 | 136.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 496 | S | 40.5 | Very low | 39.4 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -74.7 | 160.8 | 158.8 | -48.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 497 | P | 49.9 | Very low | 39.5 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | -148.8 | 164.5 | 108 | 36.8 | -20.2 | 0 | 0 | 0 | 116.4 | |||||
| 498 | S | 37.8 | Very low | 39.8 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -110.9 | -178.9 | 155.8 | -53.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 499 | P | 53 | Low | 39.2 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | cis | -134.5 | -175.2 | 3 | 41.3 | -22.7 | 0 | 0 | 0 | 114.8 | ||||
| 500 | G | 35.2 | Very low | 39.7 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -168.7 | 145.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 501 | V | 36.8 | Very low | 39.4 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -118.1 | 139.7 | -171.5 | 171 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 502 | F | 30.6 | Very low | 40.2 | Very low | 189 Ų | 189 | 157 Ų | 157 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | trans | -167.5 | 171.2 | 142.3 | -143.7 | -114.9 | 0 | 0 | 0 | 115.7 | ||||
| 503 | D | 36.2 | Very low | 40.4 | Very low | 128 Ų | 128 | 153.6 Ų | 153.6 | 68% | 0.684 | 82% | 0.822 | S | S | * | * | trans | -72.5 | 170 | -163 | -80.5 | -79.9 | 0 | 0 | 0 | 120.4 | ||||
| 504 | G | 32.3 | Very low | 40.8 | Very low | 68 Ų | 68 | 156.6 Ų | 156.6 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | trans | -82.8 | -139.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 505 | P | 52.3 | Low | 41 | Very low | 124 Ų | 124 | 151.6 Ų | 151.6 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | cis | -131.5 | 169.8 | -11 | 41.7 | -27.4 | 0 | 0 | 0 | 114.1 | ||||
| 506 | N | 37 | Very low | 41.6 | Very low | 151 Ų | 151 | 155.9 Ų | 155.9 | 81% | 0.807 | 83% | 0.825 | S | S | * | * | trans | -163.8 | 126.2 | 144.1 | -127.9 | -23.8 | 0 | 0 | 0 | 119 | ||||
| 507 | S | 35 | Very low | 41.7 | Very low | 82 Ų | 82 | 158.2 Ų | 158.2 | 57% | 0.573 | 82% | 0.824 | S | S | * | * | trans | 43.2 | 116.4 | 136 | -67 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 508 | K | 42.8 | Very low | 41.1 | Very low | 191 Ų | 191 | 160.5 Ų | 160.5 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | 73.8 | 108.7 | 121.6 | -64.7 | 172.7 | -176.2 | 170.9 | 0 | 120.7 | |||||
| 509 | R | 41.1 | Very low | 41.4 | Very low | 237 Ų | 237 | 163.8 Ų | 163.8 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | 17.2 | 127.2 | 124.5 | -73.9 | -177 | 170.7 | -165.4 | -0.2 | 117.7 | |||||
| 510 | R | 46.7 | Very low | 40.5 | Very low | 252 Ų | 252 | 166.2 Ų | 166.2 | 95% | 0.951 | 83% | 0.825 | S | S | * | * | -144.8 | 134.7 | 123.1 | -128 | 177.5 | -174.1 | -175.8 | 0.8 | 111.6 | |||||
| 511 | R | 48.9 | Very low | 40.9 | Very low | 220 Ų | 220 | 173.7 Ų | 173.7 | 83% | 0.83 | 83% | 0.828 | S | S | * | * | trans | -75.7 | 145.3 | 159.7 | -63.8 | 174.7 | 176.2 | 169.4 | -4.6 | 107.7 | ||||
| 512 | Y | 51.4 | Low | 41.3 | Very low | 301 Ų | 301 | 176.6 Ų | 176.6 | 100% | 1.18 | 83% | 0.826 | S | S | * | * | -145.5 | 0 | 101.9 | -104.1 | -75.3 | 0 | 0 | 0 | 109.1 |
Retrieved 512 of 512 residues in 188.6 ms
(Link to these results)