| 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 | 33.7 | Very low | 37.7 | Very low | 239 Ų | 239 | 144.3 Ų | 144.3 | 100% | 1.177 | 81% | 0.809 | S | S | * | * | 0 | 108.1 | 0 | -59.9 | 173 | -177.8 | 0 | 0 | 104.5 | |||||
| 2 | A | 37.5 | Very low | 37.7 | Very low | 99 Ų | 99 | 146.6 Ų | 146.6 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | 66.9 | 126.9 | 78.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 3 | T | 42.6 | Very low | 38.4 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | cis | -139.3 | 155.1 | 13.3 | 42.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 4 | D | 41.8 | Very low | 38 | Very low | 136 Ų | 136 | 149.1 Ų | 149.1 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | cis | 93.2 | 152.5 | 41.1 | -167 | -139.6 | 0 | 0 | 0 | 115.4 | ||||
| 5 | M | 39.4 | Very low | 37.7 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | 94.2 | 153.6 | 176.9 | -63.8 | -75.4 | 97.2 | 0 | 0 | 121.1 | ||||
| 6 | S | 45.8 | Very low | 37.6 | Very low | 99 Ų | 99 | 146.3 Ų | 146.3 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | trans | -158.5 | 162.9 | -151.7 | 62 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 7 | Q | 38.6 | Very low | 38.2 | Very low | 202 Ų | 202 | 144.8 Ų | 144.8 | 94% | 0.944 | 81% | 0.809 | S | S | * | * | trans | -178.1 | 168.8 | 154.3 | -103.3 | 159.2 | 60.6 | 0 | 0 | 110 | ||||
| 8 | G | 32.6 | Very low | 38 | Very low | 65 Ų | 65 | 145.5 Ų | 145.5 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | cis | 140.2 | 141 | -8.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 9 | E | 34 | Very low | 37.8 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | cis | -164.5 | 147.6 | -16.9 | -164.2 | 152.2 | 122.7 | 0 | 0 | 114.5 | ||||
| 10 | L | 34.3 | Very low | 37.6 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 72% | 0.717 | 81% | 0.813 | S | S | * | * | trans | 37.1 | 132.5 | 157.6 | -65.7 | 172.6 | 0 | 0 | 0 | 127.3 | ||||
| 11 | I | 34.1 | Very low | 37.4 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | 85.8 | 147.5 | 127.5 | -73.8 | 175.3 | 0 | 0 | 0 | 125.4 | |||||
| 12 | H | 37.5 | Very low | 37.4 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | -69.5 | 155.2 | -179.8 | -69 | -81.1 | 0 | 0 | 0 | 119.6 | ||||
| 13 | P | 47.9 | Very low | 37.3 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -101.7 | 169.5 | 146.1 | 38.2 | -31.9 | 0 | 0 | 0 | 113.5 | ||||
| 14 | K | 32.7 | Very low | 36.9 | Very low | 204 Ų | 204 | 139.4 Ų | 139.4 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -161.7 | 127.2 | -171.9 | -158 | 163.5 | -176.6 | 171.3 | 0 | 120.1 | ||||
| 15 | A | 33.5 | Very low | 36.7 | Very low | 84 Ų | 84 | 139.1 Ų | 139.1 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | trans | 62.3 | 128.7 | 148.8 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 16 | L | 36.1 | Very low | 36.5 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | 66 | 169.9 | 154.8 | -64.7 | 177 | 0 | 0 | 0 | 117.3 | ||||
| 17 | P | 47.2 | Very low | 36.1 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | cis | -137.3 | -151.8 | 12.5 | 45.4 | -25 | 0 | 0 | 0 | 116.6 | ||||
| 18 | L | 34 | Very low | 35.7 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -87.9 | 164 | 179.2 | -61.5 | 115.8 | 0 | 0 | 0 | 114.6 | ||||
| 19 | I | 35.2 | Very low | 36.1 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | 164.1 | 132.1 | 122 | -86.8 | 163.9 | 0 | 0 | 0 | 115.3 | |||||
| 20 | V | 34.3 | Very low | 36.3 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | 33.8 | 134.9 | 149.3 | -178.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 21 | G | 31.6 | Very low | 36.2 | Very low | 79 Ų | 79 | 135.2 Ų | 135.2 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | -179.5 | 123.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 22 | A | 34.1 | Very low | 36.1 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -91.4 | 174.4 | -161.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 23 | Q | 35.9 | Very low | 35.9 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | trans | 103.3 | 121.1 | 137.4 | -100.7 | -178.3 | 116.3 | 0 | 0 | 124.1 | ||||
| 24 | L | 34.5 | Very low | 35.4 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | 113.4 | 137.4 | 122.1 | -141.3 | 74.6 | 0 | 0 | 0 | 121.4 | |||||
| 25 | I | 37.4 | Very low | 35.5 | Very low | 130 Ų | 130 | 132 Ų | 132 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | trans | 53.7 | 147.2 | 161.2 | 45.9 | 176.1 | 0 | 0 | 0 | 120.6 | ||||
| 26 | H | 35.6 | Very low | 35.7 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | cis | -141.6 | 137.9 | -6.3 | -99.8 | -68.4 | 0 | 0 | 0 | 106 | ||||
| 27 | A | 37.2 | Very low | 35.5 | Very low | 79 Ų | 79 | 133.7 Ų | 133.7 | 65% | 0.653 | 76% | 0.76 | S | S | * | * | 98.3 | 136.5 | 62.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 28 | D | 30.6 | Very low | 35.1 | Very low | 129 Ų | 129 | 133 Ų | 133 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | trans | 66 | 141.3 | 170.3 | -74.6 | 10.2 | 0 | 0 | 0 | 119.9 | ||||
| 29 | K | 41.1 | Very low | 35.1 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | cis | -158.1 | 142.2 | -3.7 | -126.9 | 168.9 | -175.7 | 127.2 | 0 | 113.9 | ||||
| 30 | L | 37.3 | Very low | 35.8 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | trans | 34.9 | 149.6 | 145.3 | -62.3 | 168.9 | 0 | 0 | 0 | 122 | ||||
| 31 | G | 32.9 | Very low | 36.1 | Very low | 62 Ų | 62 | 131.5 Ų | 131.5 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | cis | -168.7 | 149.7 | 0.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 32 | E | 32.4 | Very low | 36.3 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | 51.9 | 134.9 | 98.4 | -91.4 | -164.9 | 95.5 | 0 | 0 | 115.9 | |||||
| 33 | K | 32.9 | Very low | 36.3 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | cis | -131.5 | 164.7 | 27.3 | -72.2 | 178.8 | 134.4 | -163.5 | 0 | 115 | E35 | K33-E35 IonicContact NZ-OE1 2.67Å; K33-E35 PolarHBondContact NZ-OE1 3.03Å | ||
| 34 | A | 37.2 | Very low | 36.1 | Very low | 97 Ų | 97 | 142 Ų | 142 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | trans | -114 | 144.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 35 | E | 33.8 | Very low | 35.9 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | trans | -134.2 | 148.4 | 167.9 | -66.8 | -167.8 | -172.2 | 0 | 0 | 110.2 | K33 | K33-E35 IonicContact NZ-OE1 2.67Å; K33-E35 PolarHBondContact NZ-OE1 3.03Å | ||
| 36 | D | 39.3 | Very low | 35.6 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -100.6 | 143.7 | -165.5 | -179.1 | 20.1 | 0 | 0 | 0 | 111.5 | ||||
| 37 | T | 31.5 | Very low | 35.3 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -153.6 | 141.3 | 173.7 | -53.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 38 | T | 38.4 | Very low | 35 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 64% | 0.644 | 78% | 0.775 | S | S | * | * | trans | -119.9 | 130.7 | -162.2 | 172.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 39 | M | 34.4 | Very low | 35 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 83% | 0.833 | 78% | 0.78 | S | S | * | * | trans | 64.3 | 177.1 | 161.9 | -76.1 | -159.5 | -68 | 0 | 0 | 115.9 | ||||
| 40 | P | 50.3 | Low | 34.4 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | cis | -133.5 | -178.9 | 6.1 | 43.9 | -27.2 | 0 | 0 | 0 | 117.8 | ||||
| 41 | I | 40.2 | Very low | 34.4 | Very low | 148 Ų | 148 | 146 Ų | 146 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -62.8 | 139.6 | 171.9 | -59.9 | 153.1 | 0 | 0 | 0 | 112.7 | ||||
| 42 | R | 36.4 | Very low | 35.1 | Very low | 240 Ų | 240 | 148.2 Ų | 148.2 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | -138.1 | 165.3 | 152.3 | -74.7 | -160.7 | 173.3 | -174.5 | 0 | 113.1 | ||||
| 43 | R | 33 | Very low | 35.5 | Very low | 233 Ų | 233 | 146.1 Ų | 146.1 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -113.9 | 147.5 | -176 | -78.4 | 174.1 | 152.3 | 102.3 | -9.3 | 111.3 | ||||
| 44 | A | 32.2 | Very low | 35.4 | Very low | 93 Ų | 93 | 148.8 Ų | 148.8 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 24 | 135.8 | 146 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 45 | V | 30.9 | Very low | 35.3 | Very low | 148 Ų | 148 | 149.8 Ų | 149.8 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | -161.3 | 159.6 | 119.2 | -95.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 46 | N | 29.6 | Very low | 35.3 | Very low | 164 Ų | 164 | 151.5 Ų | 151.5 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -95.7 | 146.1 | 163.5 | -73.1 | 3.1 | 0 | 0 | 0 | 109.6 | ||||
| 47 | S | 30.1 | Very low | 35 | Very low | 110 Ų | 110 | 151.2 Ų | 151.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -164.4 | 126.4 | 143.2 | -150.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 48 | T | 30.3 | Very low | 34.9 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | 46.4 | 106 | 126.6 | -41.8 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 49 | R | 31.6 | Very low | 34.5 | Very low | 210 Ų | 210 | 153 Ų | 153 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | 38.9 | 119.8 | 123.1 | -174.9 | -154.3 | 157.8 | 149.2 | -4.6 | 119.1 | |||||
| 50 | E | 28.7 | Very low | 34.3 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | -166.7 | 175.1 | 106.3 | -98.3 | -157.2 | 156.2 | 0 | 0 | 114.1 | |||||
| 51 | T | 35.6 | Very low | 33.3 | Very low | 133 Ų | 133 | 152.9 Ų | 152.9 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | trans | -133.6 | -173.6 | -173.7 | 70.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 52 | P | 47.6 | Very low | 32.9 | Very low | 110 Ų | 110 | 155 Ų | 155 | 71% | 0.714 | 82% | 0.821 | S | S | * | * | -114.2 | 172.6 | -126.5 | 40.6 | -24.8 | 0 | 0 | 0 | 115.5 | |||||
| 53 | P | 41.1 | Very low | 32.7 | Very low | 129 Ų | 129 | 152.5 Ų | 152.5 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | trans | -94.9 | 166.2 | 157.5 | 36 | -30.5 | 0 | 0 | 0 | 112.6 | ||||
| 54 | K | 31.4 | Very low | 32.8 | Very low | 212 Ų | 212 | 149 Ų | 149 | 92% | 0.922 | 81% | 0.811 | S | S | * | * | trans | -146 | 134.1 | -174.1 | 175.7 | -175.9 | -178.9 | -178.3 | 0 | 108.8 | ||||
| 55 | S | 34.8 | Very low | 33.4 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -134.4 | 135.5 | 178.8 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 56 | K | 34.4 | Very low | 33.4 | Very low | 192 Ų | 192 | 149.6 Ų | 149.6 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -70.1 | 176.1 | 165.3 | -79.1 | 175.8 | 172.2 | -178.9 | 0 | 110.4 | ||||
| 57 | L | 31.8 | Very low | 34.9 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | cis | -164.7 | 164.9 | -1.4 | -123.6 | 167.4 | 0 | 0 | 0 | 108 | ||||
| 58 | A | 29.4 | Very low | 34.8 | Very low | 83 Ų | 83 | 149.4 Ų | 149.4 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | trans | 167 | 118.1 | 131.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 59 | E | 30.9 | Very low | 34.7 | Very low | 195 Ų | 195 | 147.1 Ų | 147.1 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | 29 | 150.7 | 137.3 | -65.4 | 160.8 | 156 | 0 | 0 | 123.6 | ||||
| 60 | G | 29.8 | Very low | 34.4 | Very low | 74 Ų | 74 | 142.4 Ų | 142.4 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | 173.2 | 28 | 176.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 61 | E | 29.9 | Very low | 34.6 | Very low | 204 Ų | 204 | 139.3 Ų | 139.3 | 95% | 0.953 | 79% | 0.787 | S | S | * | * | trans | 62 | 173.6 | 162.1 | -65.3 | -176.5 | 122 | 0 | 0 | 121.1 | ||||
| 62 | E | 31.5 | Very low | 34.5 | Very low | 192 Ų | 192 | 140.9 Ų | 140.9 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -119.7 | 160.5 | -164.9 | -52.4 | 177.1 | 106.2 | 0 | 0 | 112.3 | ||||
| 63 | E | 31.8 | Very low | 33.8 | Very low | 189 Ų | 189 | 143 Ų | 143 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | -160.1 | 145.6 | 127.4 | -134.9 | -173 | 151.4 | 0 | 0 | 112.3 | |||||
| 64 | K | 36 | Very low | 34 | Very low | 158 Ų | 158 | 141 Ų | 141 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | trans | -160 | 134.1 | 168.8 | -163.8 | -164.9 | -173.3 | -166.5 | 0 | 110 | E66 | K64-E66 HydrophobicContact CD-CG 4.44Å; K64-E66 IonicContact NZ-OE1 2.59Å; K64-E66 PolarHBondContact NZ-OE1 3.01Å | ||
| 65 | P | 44.8 | Very low | 33.9 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -126 | 176.5 | 136.2 | 1.1 | 20.9 | 0 | 0 | 0 | 113.9 | ||||
| 66 | E | 31.2 | Very low | 33.7 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 66% | 0.659 | 76% | 0.758 | S | S | * | * | trans | -123.8 | -153.5 | 179 | -38.3 | -176.3 | 143.4 | 0 | 0 | 107.7 | K64 | K64-E66 HydrophobicContact CD-CG 4.44Å; K64-E66 IonicContact NZ-OE1 2.59Å; K64-E66 PolarHBondContact NZ-OE1 3.01Å | ||
| 67 | P | 59.8 | Low | 33.4 | Very low | 105 Ų | 105 | 133 Ų | 133 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | cis | -123.4 | -176.5 | -41.6 | 37.6 | -23.1 | 0 | 0 | 0 | 111.1 | ||||
| 68 | D | 28.1 | Very low | 33.4 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | 173 | 166.3 | 120.2 | -117.1 | -41.1 | 0 | 0 | 0 | 112.3 | |||||
| 69 | G | 27.7 | Very low | 33.9 | Very low | 69 Ų | 69 | 134.8 Ų | 134.8 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | 138.6 | 63.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 70 | S | 25.5 | Very low | 34.3 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | 35.2 | 109.6 | 139 | -125.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 71 | S | 33.3 | Very low | 34.4 | Very low | 85 Ų | 85 | 137 Ų | 137 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | 76.9 | 146.5 | 106.9 | 75.3 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 72 | E | 34.2 | Very low | 34.5 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | 97.5 | 114.1 | 138.6 | -79.4 | 152.3 | 140.8 | 0 | 0 | 124.8 | ||||
| 73 | E | 32.5 | Very low | 34.4 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | 93.4 | 83.8 | 126.9 | -64.8 | -94.6 | 71.9 | 0 | 0 | 123 | |||||
| 74 | S | 45.9 | Very low | 34.3 | Very low | 87 Ų | 87 | 129.1 Ų | 129.1 | 61% | 0.608 | 71% | 0.707 | S | S | * | * | 81.8 | 152 | 99.1 | -68.8 | 0 | 0 | 0 | 0 | 126.2 | |||||
| 75 | I | 27.8 | Very low | 34 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 81% | 0.81 | 71% | 0.71 | S | S | * | * | trans | 81.3 | 138.4 | 145.5 | -84.8 | 156.8 | 0 | 0 | 0 | 119.5 | ||||
| 76 | S | 30.7 | Very low | 34.4 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 58% | 0.58 | 71% | 0.709 | S | S | * | * | cis | -177.9 | 158.7 | -19.5 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 77 | T | 29.9 | Very low | 35.4 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | trans | 62.8 | 157.3 | 152.1 | 35.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 78 | V | 31.7 | Very low | 34 | Very low | 118 Ų | 118 | 125 Ų | 125 | 72% | 0.715 | 71% | 0.713 | S | S | * | * | cis | -156.1 | 150.2 | 1.4 | 107.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 79 | E | 39.9 | Very low | 33.9 | Very low | 150 Ų | 150 | 123.2 Ų | 123.2 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | cis | -141.5 | -131.8 | -23.2 | -144.1 | 74.5 | -67.6 | 0 | 0 | 107.1 | ||||
| 80 | E | 38.3 | Very low | 34.1 | Very low | 172 Ų | 172 | 124.1 Ų | 124.1 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | cis | -164.8 | 161.6 | -1.4 | -138.7 | -168.6 | 113.4 | 0 | 0 | 104.8 | ||||
| 81 | Q | 31.8 | Very low | 34.3 | Very low | 144 Ų | 144 | 124 Ų | 124 | 67% | 0.673 | 70% | 0.702 | S | S | * | * | cis | -142.1 | -126.2 | -2.8 | -162.3 | -134.2 | -28.4 | 0 | 0 | 109.4 | ||||
| 82 | E | 32.4 | Very low | 34 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | trans | -136.8 | 175.4 | -162.4 | -57.8 | 161.4 | 125.2 | 0 | 0 | 111.7 | ||||
| 83 | N | 29.2 | Very low | 33.6 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 65% | 0.652 | 71% | 0.706 | S | S | * | * | cis | -158.3 | 161.2 | 16.8 | -165.4 | 19.8 | 0 | 0 | 0 | 114.5 | ||||
| 84 | E | 29.8 | Very low | 33.3 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | trans | 35.4 | 134.2 | 158.9 | -80.5 | 162.2 | 152.6 | 0 | 0 | 122.9 | ||||
| 85 | T | 28.8 | Very low | 32.3 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | cis | 80.4 | 167.6 | 14.5 | 85.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 86 | P | 53.6 | Low | 32.7 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | -128.5 | -135.6 | -57 | 37.4 | -18.1 | 0 | 0 | 0 | 110.2 | |||||
| 87 | P | 53.7 | Low | 32.3 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | cis | -117.1 | -145.5 | -27.2 | 31.9 | -7.6 | 0 | 0 | 0 | 111.1 | ||||
| 88 | A | 29.4 | Very low | 32 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | cis | -158.8 | 137.8 | 3.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 89 | T | 26.3 | Very low | 31.6 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | 67.8 | 136.2 | 93.3 | 68.9 | 0 | 0 | 0 | 0 | 118 | |||||
| 90 | S | 30.9 | Very low | 31.5 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 62% | 0.622 | 75% | 0.747 | S | S | * | * | cis | -120.3 | -115.3 | -1.4 | -64.9 | 0 | 0 | 0 | 0 | 112 | E92 | S90-E92 WeakPolarHBondContact CB-OE1 3.3Å; S90-E92 PolarHBondContact OG-OE1 3.33Å | ||
| 91 | S | 30.7 | Very low | 30.9 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | cis | -170.7 | 162.5 | -3.3 | -3.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 92 | E | 25.9 | Very low | 30.4 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | cis | -166.2 | 165.3 | -23.5 | -132.8 | 68.2 | 91.3 | 0 | 0 | 111.1 | S90 | S90-E92 WeakPolarHBondContact CB-OE1 3.3Å; S90-E92 PolarHBondContact OG-OE1 3.33Å | ||
| 93 | A | 27.5 | Very low | 29.9 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 72% | 0.719 | 75% | 0.749 | S | S | * | * | trans | 50.2 | 119.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 94 | E | 26.3 | Very low | 29.8 | Very low | 195 Ų | 195 | 128.7 Ų | 128.7 | 91% | 0.911 | 75% | 0.754 | S | S | * | * | trans | 71.7 | 170.3 | 134.4 | -69.8 | -156.5 | 80.5 | 0 | 0 | 125.2 | ||||
| 95 | Q | 24.1 | Very low | 29.5 | Very low | 177 Ų | 177 | 128.2 Ų | 128.2 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -100.2 | -169.3 | -170.2 | -48.8 | -173.2 | 5.8 | 0 | 0 | 110.7 | ||||
| 96 | P | 35.3 | Very low | 29.3 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | cis | -142.1 | 163.1 | 0.7 | 43.4 | -24.6 | 0 | 0 | 0 | 119 | ||||
| 97 | K | 23 | Very low | 27.9 | Very low | 210 Ų | 210 | 133.2 Ų | 133.2 | 91% | 0.913 | 76% | 0.755 | S | S | * | * | trans | 33.6 | 109.3 | 131.7 | -162.8 | -179.4 | -175.4 | -179.3 | 0 | 119.4 | ||||
| 98 | G | 23.5 | Very low | 26.4 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | -156.8 | 113.3 | 168 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 99 | E | 24 | Very low | 26.2 | Very low | 190 Ų | 190 | 135.4 Ų | 135.4 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | trans | -95.2 | 176.8 | 166.5 | -93 | 179.6 | 129.8 | 0 | 0 | 109.7 | ||||
| 100 | P | 38 | Very low | 26.2 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | cis | -137.2 | -149.6 | -26.9 | 35.4 | -12.8 | 0 | 0 | 0 | 111.8 | ||||
| 101 | E | 24.2 | Very low | 26.1 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | 69.4 | 125.9 | 156.5 | -72.8 | 173.2 | 178.6 | 0 | 0 | 118 | ||||
| 102 | S | 22.2 | Very low | 26.1 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | 77.5 | 132.3 | 58.2 | 100.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 103 | G | 22.6 | Very low | 26.3 | Very low | 63 Ų | 63 | 138.4 Ų | 138.4 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | cis | 176 | -170.4 | -2.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 104 | E | 25.5 | Very low | 26.3 | Very low | 162 Ų | 162 | 143 Ų | 143 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | trans | 64.2 | 175.9 | 171.9 | -47.2 | -137.2 | 127.6 | 0 | 0 | 114.4 | ||||
| 105 | K | 23.6 | Very low | 26.4 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 60% | 0.596 | 76% | 0.761 | S | S | * | * | cis | -161.4 | 150.2 | -44.4 | -102.5 | 176.4 | -166.4 | 141 | 0 | 106 | ||||
| 106 | E | 24.6 | Very low | 27.2 | Very low | 173 Ų | 173 | 137 Ų | 137 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | trans | 59.5 | 154.8 | 150.1 | -76.6 | 158.4 | 166.1 | 0 | 0 | 117.8 | ||||
| 107 | E | 24.4 | Very low | 27 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 77% | 0.771 | 75% | 0.754 | S | S | * | * | cis | -153.4 | 171 | -21.2 | -159.3 | -166.3 | -179.5 | 0 | 0 | 108.2 | ||||
| 108 | N | 23.2 | Very low | 27.3 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | 97.4 | 125.9 | 137.4 | -146.3 | -10 | 0 | 0 | 0 | 120.2 | ||||
| 109 | N | 23.5 | Very low | 27.5 | Very low | 124 Ų | 124 | 143 Ų | 143 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | trans | 52.2 | 132.3 | 162.2 | -87.2 | -56 | 0 | 0 | 0 | 119.5 | ||||
| 110 | N | 27.2 | Very low | 28 | Very low | 157 Ų | 157 | 143 Ų | 143 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | -144.7 | 152.8 | 58 | -140.1 | -15.8 | 0 | 0 | 0 | 117.3 | |||||
| 111 | K | 29.4 | Very low | 27.5 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -77.5 | 146.8 | -170 | 166.4 | -171.4 | 178.8 | -177.3 | 0 | 114.7 | ||||
| 112 | S | 29.4 | Very low | 27.7 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -158.4 | 146.7 | 143.2 | -83.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 113 | A | 31.5 | Very low | 28.1 | Very low | 89 Ų | 89 | 149 Ų | 149 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -92.5 | -177.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 114 | E | 26.9 | Very low | 28.4 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | cis | -160.2 | 151.1 | 28 | -170 | 168.1 | 122.7 | 0 | 0 | 112.3 | ||||
| 115 | E | 29.3 | Very low | 28.7 | Very low | 150 Ų | 150 | 152.5 Ų | 152.5 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -109.5 | 150.3 | 168.9 | -127.5 | -154.8 | -157 | 0 | 0 | 107.5 | ||||
| 116 | P | 39.4 | Very low | 29.2 | Very low | 96 Ų | 96 | 154.1 Ų | 154.1 | 62% | 0.623 | 78% | 0.776 | S | S | * | * | -160.1 | 152.5 | 65.2 | 39.5 | -17 | 0 | 0 | 0 | 120.5 | |||||
| 117 | K | 31.4 | Very low | 29.6 | Very low | 173 Ų | 173 | 154.3 Ų | 154.3 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | 53.9 | 123.3 | 135.9 | -60.3 | 164.1 | -168.1 | 161.2 | 0 | 122 | ||||
| 118 | K | 28.6 | Very low | 30.5 | Very low | 203 Ų | 203 | 154.9 Ų | 154.9 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | -153.2 | 146.1 | 112.6 | -134 | 174 | -176.6 | 177 | 0 | 115.5 | |||||
| 119 | D | 28.8 | Very low | 31.1 | Very low | 145 Ų | 145 | 158 Ų | 158 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | -61.1 | 140.1 | -170.1 | -47.4 | -94.7 | 0 | 0 | 0 | 117.9 | ||||
| 120 | E | 33.9 | Very low | 32.2 | Very low | 192 Ų | 192 | 161.3 Ų | 161.3 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | -156.8 | 88.6 | 121.7 | -148.1 | 170.6 | -175.5 | 0 | 0 | 115.4 | |||||
| 121 | K | 28.3 | Very low | 33.2 | Very low | 177 Ų | 177 | 158.8 Ų | 158.8 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | 32.8 | 146.4 | 127.9 | -161.5 | 173.7 | 176.7 | -168.9 | 0 | 123.9 | |||||
| 122 | D | 27.7 | Very low | 34.5 | Very low | 127 Ų | 127 | 157.5 Ų | 157.5 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | trans | 75.2 | 55.4 | 156.7 | -83.1 | -27.6 | 0 | 0 | 0 | 120.5 | S124 | D122-S124 VanDerWaalsContact C-N 3.31Å; D122-S124 PolarHBondContact O-N 2.88Å | ||
| 123 | Q | 29.8 | Very low | 36.5 | Very low | 197 Ų | 197 | 157.6 Ų | 157.6 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -67.9 | 91.6 | 142.7 | -79.4 | -164.9 | 10.7 | 0 | 0 | 110.6 | K125 | Q123-K125 PolarHBondContact O-N 2.71Å; Q123-K125 VanDerWaalsContact O-N 3.09Å | ||
| 124 | S | 30.2 | Very low | 39 | Very low | 104 Ų | 104 | 157 Ų | 157 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -65.6 | 110.5 | 172.9 | 69.6 | 0 | 0 | 0 | 0 | 110.5 | D122 E126 | D122-S124 VanDerWaalsContact C-N 3.31Å; D122-S124 PolarHBondContact O-N 2.88Å; S124-E126 VanDerWaalsContact C-N 3.31Å; S124-E126 PolarHBondContact O-N 3.04Å | ||
| 125 | K | 32.2 | Very low | 41.8 | Very low | 196 Ų | 196 | 150.1 Ų | 150.1 | 85% | 0.852 | 72% | 0.719 | S | S | * | * | trans | -63.6 | 92.4 | 167.3 | -82.2 | -179.7 | 174.8 | 171.5 | 0 | 108.9 | Q123 K127 | Q123-K125 PolarHBondContact O-N 2.71Å; Q123-K125 VanDerWaalsContact O-N 3.09Å; K125-K127 PolarHBondContact O-N 3.13Å | ||
| 126 | E | 33.8 | Very low | 44.6 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | trans | -64.3 | 91.9 | 167.3 | -176.1 | 162.9 | -150.3 | 0 | 0 | 108.3 | S124 E128 | S124-E126 VanDerWaalsContact C-N 3.31Å; S124-E126 PolarHBondContact O-N 3.04Å; E126-E128 PolarHBondContact O-N 3.44Å | ||
| 127 | K | 33.5 | Very low | 46.8 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | trans | -60 | 104.2 | 170.4 | -71.5 | 177.1 | 178.6 | 174.2 | 0 | 107.1 | K125 K129 | K125-K127 PolarHBondContact O-N 3.13Å; K127-K129 PolarHBondContact O-N 2.91Å | ||
| 128 | E | 41.8 | Very low | 49.5 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 67% | 0.669 | S | S | * | * | trans | -44.7 | 109 | 169.2 | -70.4 | -166.7 | 132.2 | 0 | 0 | 108.7 | E126 K130 | E126-E128 PolarHBondContact O-N 3.44Å; E128-K130 PolarHBondContact O-N 3.25Å | ||
| 129 | K | 36.8 | Very low | 52.4 | Low | 186 Ų | 186 | 127.9 Ų | 127.9 | 81% | 0.809 | 63% | 0.632 | S | S | * | * | trans | -73.6 | 80.7 | -179.4 | -73.8 | 170 | -176.7 | 153 | 0 | 107.2 | K127 V131 | K127-K129 PolarHBondContact O-N 2.91Å; K129-V131 VanDerWaalsContact C-N 3.34Å; K129-V131 WeakPolarHBondContact O-CA 3.38Å; K129-V131 WeakPolarHBondContact O-CG2 3.23Å; K129-V131 PolarHBondContact O-N 3.46Å | ||
| 130 | K | 46.4 | Very low | 55.3 | Low | 193 Ų | 193 | 123.3 Ų | 123.3 | 84% | 0.839 | 61% | 0.609 | S | S | * | * | trans | -32.8 | 96.4 | -177.1 | -69.8 | -167.8 | -178.7 | -168.8 | 0 | 109.7 | E128 K132 | E128-K130 PolarHBondContact O-N 3.25Å; K130-K132 PolarHBondContact O-N 3.18Å | ||
| 131 | V | 47.2 | Very low | 57.5 | Low | 103 Ų | 103 | 115.4 Ų | 115.4 | 62% | 0.624 | 57% | 0.573 | S | S | * | * | trans | -65.7 | 131.4 | -170.4 | -175.1 | 0 | 0 | 0 | 0 | 105.8 | K129 K133 K393 | K129-V131 VanDerWaalsContact C-N 3.34Å; K129-V131 WeakPolarHBondContact O-CA 3.38Å; K129-V131 WeakPolarHBondContact O-CG2 3.23Å; K129-V131 PolarHBondContact O-N 3.46Å; V131-K133 PolarHBondContact O-N 3.07Å; V131-K393 WeakPolarHBondContact CG1-O 3.26Å | ||
| 132 | K | 58.1 | Low | 59.8 | Low | 146 Ų | 146 | 109.4 Ų | 109.4 | 64% | 0.635 | 55% | 0.553 | S | S | * | * | trans | -69.9 | 85.9 | -176.2 | -69 | 171.7 | -177.8 | 167.8 | 0 | 107.5 | K130 T134 P154 | K130-K132 PolarHBondContact O-N 3.18Å; K132-T134 PolarHBondContact O-N 2.93Å; K132-T134 PolarHBondContact O-OG1 3.42Å; K132-P154 HydrophobicContact CD-CG 4.21Å | ||
| 133 | K | 70.6 | Confident | 61.8 | Low | 125 Ų | 125 | 107.3 Ų | 107.3 | 54% | 0.543 | 55% | 0.553 | S | S | . | * | trans | -46.8 | 103.5 | -179.7 | -68 | -160.9 | 177.7 | -167.1 | 0 | 107.1 | V131 N394 | V131-K133 PolarHBondContact O-N 3.07Å; K133-N394 WeakPolarHBondContact CA-O 3.46Å | ||
| 134 | T | 83.7 | Confident | 63.7 | Low | 77 Ų | 77 | 101.2 Ų | 101.2 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 131.3 | -171.4 | -68.1 | 0 | 0 | 0 | 0 | 106.1 | K132 P136 N394 W396 | K132-T134 PolarHBondContact O-N 2.93Å; K132-T134 PolarHBondContact O-OG1 3.42Å; T134-P136 WeakPolarHBondContact O-CD 3.41Å; T134-N394 PolarHBondContact N-O 3.34Å; T134-W396 PolarHBondContact O-NE1 3.32Å |
| 135 | I | 85.8 | Confident | 65.9 | Low | 39 Ų | 39 | 100.5 Ų | 100.5 | 20% | 0.2 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 123.4 | -179.5 | -45.5 | 172.5 | 0 | 0 | 0 | 108 | A139 L141 L146 A149 Q150 F413 | I135-A139 HydrophobicContact CG2-CB 3.9Å; I135-L141 HydrophobicContact CG2-CD1 3.94Å; I135-L146 HydrophobicContact CD1-CD2 4.17Å; I135-L146 HydrophobicContact CG2-CD2 4.23Å; I135-A149 HydrophobicContact CD1-CB 3.54Å; I135-A149 HydrophobicContact CG1-CB 4.14Å; I135-Q150 HydrophobicContact CD1-CG 4.41Å; I135-F413 HydrophobicContact CG2-CE1 4.32Å |
| 136 | P | 88.7 | Confident | 67.9 | Low | 5 Ų | 5 | 93.8 Ų | 93.8 | 3% | 0.032 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 150.8 | 174.3 | 25 | -26 | 0 | 0 | 0 | 110.5 | T134 W138 A139 W396 F413 | T134-P136 WeakPolarHBondContact O-CD 3.41Å; P136-W138 HydrophobicContact CB-CD2 3.99Å; P136-W138 HydrophobicContact CB-CG 4.19Å; P136-W138 HydrophobicContact CB-CZ2 4Å; P136-W138 HydrophobicContact CG-CD2 3.94Å; P136-W138 HydrophobicContact CG-CE3 4.3Å; P136-W138 HydrophobicContact CG-CH2 3.98Å; P136-W138 HydrophobicContact CG-CZ2 3.6Å; P136-W138 HydrophobicContact CG-CZ3 4.31Å; P136-W138 PolarHBondContact O-N 3.43Å; P136-W138 VanDerWaalsContact O-N 3.15Å; P136-A139 HydrophobicContact CG-CB 4.01Å; P136-A139 WeakPolarHBondContact O-CB 3.27Å; P136-A139 PolarHBondContact O-N 3.47Å; P136-A139 VanDerWaalsContact O-N 3.11Å; P136-W396 HydrophobicContact CB-CD2 3.77Å; P136-W396 HydrophobicContact CB-CE3 4.25Å; P136-W396 HydrophobicContact CB-CG 4.01Å; P136-W396 HydrophobicContact CB-CZ2 4.15Å; P136-W396 HydrophobicContact CG-CB 4.43Å; P136-W396 HydrophobicContact CG-CD2 4.28Å; P136-W396 HydrophobicContact CG-CG 3.97Å; P136-F413 VanDerWaalsContact CD-CD2 3.42Å; P136-F413 VanDerWaalsContact CD-CE2 3.46Å; P136-F413 HydrophobicContact CG-CB 4.5Å; P136-F413 HydrophobicContact CG-CD2 3.77Å; P136-F413 HydrophobicContact CG-CE2 4.25Å; P136-F413 HydrophobicContact CG-CG 4.24Å |
| 137 | A | 86 | Confident | 69.7 | Low | 106 Ų | 106 | 87.5 Ų | 87.5 | 88% | 0.876 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -22.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 138 | W | 87.4 | Confident | 71.6 | Confident | 31 Ų | 31 | 87.8 Ų | 87.8 | 12% | 0.117 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -14.3 | 177.7 | 52.9 | -108.8 | 0 | 0 | 0 | 114.4 | P136 T140 P264 W396 L411 F413 Y415 | P136-W138 HydrophobicContact CB-CD2 3.99Å; P136-W138 HydrophobicContact CB-CG 4.19Å; P136-W138 HydrophobicContact CB-CZ2 4Å; P136-W138 HydrophobicContact CG-CD2 3.94Å; P136-W138 HydrophobicContact CG-CE3 4.3Å; P136-W138 HydrophobicContact CG-CH2 3.98Å; P136-W138 HydrophobicContact CG-CZ2 3.6Å; P136-W138 HydrophobicContact CG-CZ3 4.31Å; P136-W138 PolarHBondContact O-N 3.43Å; P136-W138 VanDerWaalsContact O-N 3.15Å; W138-T140 PolarHBondContact O-N 3Å; W138-P264 HydrophobicContact CB-CG 4.29Å; W138-P264 HydrophobicContact CD2-CB 3.99Å; W138-P264 HydrophobicContact CD2-CG 3.29Å; W138-P264 HydrophobicContact CE3-CB 3.98Å; W138-P264 HydrophobicContact CE3-CG 3.78Å; W138-P264 HydrophobicContact CG-CB 4.36Å; W138-P264 HydrophobicContact CG-CG 3.53Å; W138-P264 HydrophobicContact CH2-CG 4.27Å; W138-P264 HydrophobicContact CZ2-CG 3.82Å; W138-P264 HydrophobicContact CZ3-CB 4.35Å; W138-P264 HydrophobicContact CZ3-CG 4.25Å; W138-W396 HydrophobicContact CZ2-CB 4.31Å; W138-L411 HydrophobicContact CH2-CB 4.38Å; W138-L411 HydrophobicContact CH2-CD1 4.41Å; W138-L411 HydrophobicContact CH2-CD2 4.16Å; W138-L411 HydrophobicContact CZ3-CD1 4.36Å; W138-F413 HydrophobicContact CH2-CB 4.16Å; W138-F413 HydrophobicContact CZ3-CB 3.99Å; W138-Y415 HydrophobicContact CB-CD2 4.32Å; W138-Y415 HydrophobicContact CB-CE2 4.16Å; W138-Y415 HydrophobicContact CE3-CD2 4.08Å; W138-Y415 HydrophobicContact CE3-CG 4.26Å; W138-Y415 VanDerWaalsContact O-CD2 3.31Å; W138-Y415 WeakPolarHBondContact O-CD2 3.22Å |
| 139 | A | 90.4 | Very high | 72.8 | Confident | 13 Ų | 13 | 80.5 Ų | 80.5 | 11% | 0.107 | 43% | 0.434 | C | S | . | . | trans | -64.3 | 118.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I135 P136 L141 F413 P414 | I135-A139 HydrophobicContact CG2-CB 3.9Å; P136-A139 HydrophobicContact CG-CB 4.01Å; P136-A139 WeakPolarHBondContact O-CB 3.27Å; P136-A139 PolarHBondContact O-N 3.47Å; P136-A139 VanDerWaalsContact O-N 3.11Å; A139-L141 HydrophobicContact CB-CG 4.34Å; A139-L141 PolarHBondContact O-N 3.09Å; A139-F413 HydrophobicContact CB-CB 3.8Å; A139-F413 HydrophobicContact CB-CD1 4.26Å; A139-F413 HydrophobicContact CB-CG 4.13Å; A139-P414 CarbonylContact C-O 3.54Å; A139-P414 WeakPolarHBondContact CA-O 3.35Å | ||
| 140 | T | 88.5 | Confident | 74.1 | Confident | 49 Ų | 49 | 76.2 Ų | 76.2 | 30% | 0.301 | 42% | 0.418 | S | S | . | . | trans | -85.5 | 50.7 | -177.5 | -35.3 | 0 | 0 | 0 | 0 | 111.7 | W138 P414 Y415 Y416 | W138-T140 PolarHBondContact O-N 3Å; T140-P414 PolarHBondContact N-O 2.74Å; T140-Y415 WeakPolarHBondContact OG1-CA 3.4Å; T140-Y416 HydrophobicContact CG2-CD2 3.77Å; T140-Y416 HydrophobicContact CG2-CG 4.33Å; T140-Y416 PolarHBondContact OG1-N 2.91Å | ||
| 141 | L | 81.6 | Confident | 74.7 | Confident | 25 Ų | 25 | 77.5 Ų | 77.5 | 13% | 0.131 | 42% | 0.417 | C | S | . | . | trans | -73.3 | 141.7 | 174.8 | -70.8 | 177.4 | 0 | 0 | 0 | 111 | I135 A139 Q145 L146 F413 P414 | I135-L141 HydrophobicContact CG2-CD1 3.94Å; A139-L141 HydrophobicContact CB-CG 4.34Å; A139-L141 PolarHBondContact O-N 3.09Å; L141-Q145 HydrophobicContact CB-CB 4.08Å; L141-Q145 HydrophobicContact CD2-CB 4.13Å; L141-L146 HydrophobicContact CB-CD2 3.82Å; L141-L146 HydrophobicContact CB-CG 3.76Å; L141-L146 HydrophobicContact CD1-CD2 4.1Å; L141-L146 WeakPolarHBondContact O-CD1 3.49Å; L141-F413 HydrophobicContact CD1-CD1 3.94Å; L141-F413 HydrophobicContact CD1-CE1 4.14Å; L141-F413 HydrophobicContact CG-CD1 4.41Å; L141-P414 HydrophobicContact CD2-CG 4.15Å | ||
| 142 | S | 76.3 | Confident | 75.3 | Confident | 52 Ų | 52 | 80.8 Ų | 80.8 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | trans | -61.5 | 155.2 | 172.2 | 63.9 | 0 | 0 | 0 | 0 | 111.8 | S144 Q145 L146 | S142-S144 PolarHBondContact O-N 2.86Å; S142-S144 VanDerWaalsContact O-N 3.09Å; S142-S144 PolarHBondContact OG-OG 3.12Å; S142-Q145 PolarHBondContact O-N 3.08Å; S142-Q145 VanDerWaalsContact OG-CD 3.27Å; S142-Q145 WeakPolarHBondContact OG-CG 3.49Å; S142-Q145 PolarHBondContact OG-N 2.88Å; S142-Q145 PolarHBondContact OG-OE1 2.89Å; S142-L146 PolarHBondContact O-N 3.23Å | ||
| 143 | A | 69.2 | Low | 75 | Confident | 82 Ų | 82 | 75.8 Ų | 75.8 | 68% | 0.678 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -55 | -32.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A147 | A143-A147 VanDerWaalsContact O-CB 3.25Å; A143-A147 WeakPolarHBondContact O-CB 3.3Å; A143-A147 PolarHBondContact O-N 3.47Å |
| 144 | S | 69.3 | Low | 74 | Confident | 70 Ų | 70 | 74.4 Ų | 74.4 | 49% | 0.49 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -74 | -38.2 | 175.6 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | S142 R148 | S142-S144 PolarHBondContact O-N 2.86Å; S142-S144 VanDerWaalsContact O-N 3.09Å; S142-S144 PolarHBondContact OG-OG 3.12Å; S144-R148 WeakPolarHBondContact O-CB 3.49Å; S144-R148 VanDerWaalsContact O-CG 3.27Å; S144-R148 WeakPolarHBondContact O-CG 3.16Å; S144-R148 PolarHBondContact O-N 3.04Å |
| 145 | Q | 76.6 | Confident | 72 | Confident | 89 Ų | 89 | 78.8 Ų | 78.8 | 42% | 0.416 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.2 | -45.2 | 171.8 | -73.6 | 163 | -45.9 | 0 | 0 | 111.3 | L141 S142 A147 R148 A149 | L141-Q145 HydrophobicContact CB-CB 4.08Å; L141-Q145 HydrophobicContact CD2-CB 4.13Å; S142-Q145 PolarHBondContact O-N 3.08Å; S142-Q145 VanDerWaalsContact OG-CD 3.27Å; S142-Q145 WeakPolarHBondContact OG-CG 3.49Å; S142-Q145 PolarHBondContact OG-N 2.88Å; S142-Q145 PolarHBondContact OG-OE1 2.89Å; Q145-A147 VanDerWaalsContact C-N 3.34Å; Q145-A147 PolarHBondContact O-N 3.18Å; Q145-R148 PolarHBondContact O-N 3.31Å; Q145-A149 WeakPolarHBondContact O-CB 3.27Å; Q145-A149 PolarHBondContact O-N 2.96Å |
| 146 | L | 75.2 | Confident | 69.9 | Low | 54 Ų | 54 | 79.4 Ų | 79.4 | 28% | 0.283 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.1 | -47.8 | 172.8 | -72.8 | 172.6 | 0 | 0 | 0 | 110.9 | I135 L141 S142 R148 A149 Q150 | I135-L146 HydrophobicContact CD1-CD2 4.17Å; I135-L146 HydrophobicContact CG2-CD2 4.23Å; L141-L146 HydrophobicContact CB-CD2 3.82Å; L141-L146 HydrophobicContact CB-CG 3.76Å; L141-L146 HydrophobicContact CD1-CD2 4.1Å; L141-L146 WeakPolarHBondContact O-CD1 3.49Å; S142-L146 PolarHBondContact O-N 3.23Å; L146-R148 PolarHBondContact O-N 2.84Å; L146-A149 PolarHBondContact O-N 2.85Å; L146-Q150 WeakPolarHBondContact O-CB 3.43Å; L146-Q150 WeakPolarHBondContact O-CG 3.42Å; L146-Q150 PolarHBondContact O-N 3.08Å |
| 147 | A | 69.9 | Low | 67.6 | Low | 39 Ų | 39 | 82.2 Ų | 82.2 | 32% | 0.322 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A143 Q145 R151 | A143-A147 VanDerWaalsContact O-CB 3.25Å; A143-A147 WeakPolarHBondContact O-CB 3.3Å; A143-A147 PolarHBondContact O-N 3.47Å; Q145-A147 VanDerWaalsContact C-N 3.34Å; Q145-A147 PolarHBondContact O-N 3.18Å; A147-R151 WeakPolarHBondContact O-CB 3.4Å; A147-R151 WeakPolarHBondContact O-CG 3.5Å; A147-R151 PolarHBondContact O-N 2.93Å |
| 148 | R | 74.3 | Confident | 65.6 | Low | 182 Ų | 182 | 79.6 Ų | 79.6 | 69% | 0.687 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.6 | -50 | 175.5 | -76 | 172.3 | -179.2 | -176.1 | 1.1 | 111.6 | S144 Q145 L146 R151 Q152 | S144-R148 WeakPolarHBondContact O-CB 3.49Å; S144-R148 VanDerWaalsContact O-CG 3.27Å; S144-R148 WeakPolarHBondContact O-CG 3.16Å; S144-R148 PolarHBondContact O-N 3.04Å; Q145-R148 PolarHBondContact O-N 3.31Å; L146-R148 PolarHBondContact O-N 2.84Å; R148-R151 PolarHBondContact O-N 3.01Å; R148-Q152 PolarHBondContact O-N 3.09Å |
| 149 | A | 66.1 | Low | 63.7 | Low | 24 Ų | 24 | 84.5 Ų | 84.5 | 20% | 0.198 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66 | -41.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I135 Q145 L146 R151 Q152 T153 | I135-A149 HydrophobicContact CD1-CB 3.54Å; I135-A149 HydrophobicContact CG1-CB 4.14Å; Q145-A149 WeakPolarHBondContact O-CB 3.27Å; Q145-A149 PolarHBondContact O-N 2.96Å; L146-A149 PolarHBondContact O-N 2.85Å; A149-R151 PolarHBondContact O-N 3.3Å; A149-Q152 PolarHBondContact O-N 3.34Å; A149-Q152 VanDerWaalsContact O-N 3.09Å; A149-T153 PolarHBondContact O-N 2.98Å; A149-T153 VanDerWaalsContact O-N 3.16Å |
| 150 | Q | 64.8 | Low | 61.7 | Low | 97 Ų | 97 | 93.4 Ų | 93.4 | 45% | 0.453 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.9 | -47.3 | 171.9 | -77.3 | 176.4 | 9.3 | 0 | 0 | 111.6 | I135 L146 Q152 T153 A156 | I135-Q150 HydrophobicContact CD1-CG 4.41Å; L146-Q150 WeakPolarHBondContact O-CB 3.43Å; L146-Q150 WeakPolarHBondContact O-CG 3.42Å; L146-Q150 PolarHBondContact O-N 3.08Å; Q150-Q152 PolarHBondContact O-N 2.82Å; Q150-T153 PolarHBondContact O-N 2.88Å; Q150-T153 VanDerWaalsContact O-O 3.1Å; Q150-T153 PolarHBondContact O-OG1 3.34Å; Q150-A156 HydrophobicContact CB-CB 3.86Å; Q150-A156 WeakPolarHBondContact O-CB 3.35Å |
| 151 | R | 59.9 | Low | 60.3 | Low | 219 Ų | 219 | 94.2 Ų | 94.2 | 83% | 0.826 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.6 | -27.9 | 176.1 | -77.1 | 171.8 | -177.5 | -151.9 | 3.1 | 113.6 | A147 R148 A149 | A147-R151 WeakPolarHBondContact O-CB 3.4Å; A147-R151 WeakPolarHBondContact O-CG 3.5Å; A147-R151 PolarHBondContact O-N 2.93Å; R148-R151 PolarHBondContact O-N 3.01Å; A149-R151 PolarHBondContact O-N 3.3Å |
| 152 | Q | 58.4 | Low | 60 | Low | 173 Ų | 173 | 98.9 Ų | 98.9 | 81% | 0.808 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -81.3 | -18.5 | 174.5 | -68.3 | 176.8 | -6.9 | 0 | 0 | 113.1 | R148 A149 Q150 | R148-Q152 PolarHBondContact O-N 3.09Å; A149-Q152 PolarHBondContact O-N 3.34Å; A149-Q152 VanDerWaalsContact O-N 3.09Å; Q150-Q152 PolarHBondContact O-N 2.82Å |
| 153 | T | 52.5 | Low | 60.5 | Low | 40 Ų | 40 | 97.8 Ų | 97.8 | 25% | 0.245 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -83 | 130.2 | 171 | 69.9 | 0 | 0 | 0 | 0 | 111.3 | A149 Q150 M155 A156 | A149-T153 PolarHBondContact O-N 2.98Å; A149-T153 VanDerWaalsContact O-N 3.16Å; Q150-T153 PolarHBondContact O-N 2.88Å; Q150-T153 VanDerWaalsContact O-O 3.1Å; Q150-T153 PolarHBondContact O-OG1 3.34Å; T153-M155 PolarHBondContact O-N 3.08Å; T153-A156 PolarHBondContact O-N 3.29Å |
| 154 | P | 49.9 | Very low | 61.3 | Low | 97 Ų | 97 | 94.6 Ų | 94.6 | 63% | 0.63 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 26.3 | 177.1 | 31.9 | -36.4 | 0 | 0 | 0 | 113.6 | K132 | K132-P154 HydrophobicContact CD-CG 4.21Š|
| 155 | M | 41.9 | Very low | 62.2 | Low | 169 Ų | 169 | 93.6 Ų | 93.6 | 83% | 0.833 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.1 | -11.4 | -178 | -77.1 | -75.7 | -126.4 | 0 | 0 | 113.2 | T153 S157 | T153-M155 PolarHBondContact O-N 3.08Å; M155-S157 PolarHBondContact O-N 2.91Å |
| 156 | A | 40.9 | Very low | 62.8 | Low | 52 Ų | 52 | 89.7 Ų | 89.7 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | trans | -73.5 | 65.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q150 T153 S158 | Q150-A156 HydrophobicContact CB-CB 3.86Å; Q150-A156 WeakPolarHBondContact O-CB 3.35Å; T153-A156 PolarHBondContact O-N 3.29Å; A156-S158 PolarHBondContact O-N 2.94Å | ||
| 157 | S | 41.3 | Very low | 63.5 | Low | 63 Ų | 63 | 87.1 Ų | 87.1 | 44% | 0.441 | 45% | 0.452 | S | S | . | . | trans | -67.1 | 112 | 159 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | M155 K162 | M155-S157 PolarHBondContact O-N 2.91Å; S157-K162 WeakPolarHBondContact OG-CE 3.49Å | ||
| 158 | S | 43.7 | Very low | 64.4 | Low | 51 Ų | 51 | 86.4 Ų | 86.4 | 36% | 0.357 | 44% | 0.444 | S | S | . | . | trans | -48.4 | 159.5 | 164.9 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | A156 R160 | A156-S158 PolarHBondContact O-N 2.94Å; S158-R160 PolarHBondContact O-N 3.29Å; S158-R160 PolarHBondContact OG-NE 3.06Å | ||
| 159 | P | 47.4 | Very low | 65.2 | Low | 135 Ų | 135 | 80.3 Ų | 80.3 | 88% | 0.877 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -68.1 | 23.9 | -177.2 | 29.4 | -37.5 | 0 | 0 | 0 | 115.9 | P161 | P159-P161 WeakPolarHBondContact O-CD 3.38Š|
| 160 | R | 48.3 | Very low | 66.4 | Low | 200 Ų | 200 | 79.2 Ų | 79.2 | 76% | 0.755 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -61.5 | 119.1 | 159.7 | -76.4 | -175.3 | -85 | -121.8 | 2.2 | 108.2 | S158 K162 | S158-R160 PolarHBondContact O-N 3.29Å; S158-R160 PolarHBondContact OG-NE 3.06Å; R160-K162 PolarHBondContact O-N 3.47Å; R160-K162 VanDerWaalsContact O-N 3.12Å |
| 161 | P | 59.5 | Low | 67.7 | Low | 66 Ų | 66 | 75.1 Ų | 75.1 | 43% | 0.429 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 120.4 | -178.3 | 22.6 | -31.2 | 0 | 0 | 0 | 109.5 | P159 A165 I166 | P159-P161 WeakPolarHBondContact O-CD 3.38Å; P161-A165 HydrophobicContact CB-CB 4.22Å; P161-I166 HydrophobicContact CB-CD1 4.41Å; P161-I166 HydrophobicContact CB-CG1 3.91Å; P161-I166 HydrophobicContact CG-CD1 4.07Å; P161-I166 HydrophobicContact CG-CG1 3.96Å; P161-I166 WeakPolarHBondContact O-CD1 3.41Å |
| 162 | K | 75.8 | Confident | 69 | Low | 122 Ų | 122 | 70.5 Ų | 70.5 | 53% | 0.53 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 152.9 | 177.2 | -65.6 | 177 | -176.7 | 173.4 | 0 | 109.1 | S157 R160 D164 A165 I166 | S157-K162 WeakPolarHBondContact OG-CE 3.49Å; R160-K162 PolarHBondContact O-N 3.47Å; R160-K162 VanDerWaalsContact O-N 3.12Å; K162-D164 PolarHBondContact O-N 3.42Å; K162-A165 WeakPolarHBondContact O-CB 3.4Å; K162-A165 PolarHBondContact O-N 2.64Å; K162-I166 PolarHBondContact O-N 2.89Å |
| 163 | M | 85.9 | Confident | 70.5 | Confident | 29 Ų | 29 | 64.2 Ų | 64.2 | 14% | 0.143 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -49.7 | -31.6 | -174.7 | -170.1 | 64.8 | -161.1 | 0 | 0 | 114 | L167 I189 L196 L198 L205 A208 | M163-L167 WeakPolarHBondContact O-CB 3.43Å; M163-L167 PolarHBondContact O-N 3.36Å; M163-I189 HydrophobicContact CE-CD1 3.92Å; M163-L196 HydrophobicContact SD-CD1 4.34Å; M163-L198 HydrophobicContact CE-CD1 4.03Å; M163-L198 HydrophobicContact CE-CD2 4.21Å; M163-L205 HydrophobicContact CE-CB 4.09Å; M163-L205 HydrophobicContact CE-CD1 3.76Å; M163-A208 HydrophobicContact CB-CB 4.17Å; M163-A208 HydrophobicContact CG-CB 3.52Å |
| 164 | D | 86.6 | Confident | 71.9 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 8% | 0.08 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.9 | -39 | 176.1 | -48.1 | -22.3 | 0 | 0 | 0 | 113.1 | K162 T168 R211 R215 | K162-D164 PolarHBondContact O-N 3.42Å; D164-T168 WeakPolarHBondContact O-CB 3.41Å; D164-T168 PolarHBondContact O-N 3.36Å; D164-T168 PolarHBondContact O-OG1 3.49Å; D164-R211 VanDerWaalsContact CG-NH2 3.25Å; D164-R211 IonicContact OD1-CZ 3.25Å; D164-R211 VanDerWaalsContact OD1-CZ 3.24Å; D164-R211 IonicContact OD1-NE 3.05Å; D164-R211 PolarHBondContact OD1-NE 2.89Å; D164-R211 IonicContact OD1-NH2 2.7Å; D164-R211 PolarHBondContact OD1-NH2 3.36Å; D164-R211 IonicContact OD2-CZ 2.65Å; D164-R211 VanDerWaalsContact OD2-CZ 3.25Å; D164-R211 IonicContact OD2-NE 3.87Å; D164-R211 PolarHBondContact OD2-NE 3.28Å; D164-R211 IonicContact OD2-NH2 3.68Å; D164-R211 PolarHBondContact OD2-NH2 3.1Å; D164-R215 IonicContact OD2-CZ 2.65Å; D164-R215 IonicContact OD2-NH1 3.89Å; D164-R215 PolarHBondContact OD2-NH1 3.24Å; D164-R215 IonicContact OD2-NH2 2.67Å |
| 165 | A | 87.8 | Confident | 72.8 | Confident | 50 Ų | 50 | 67.7 Ų | 67.7 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.1 | -46.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P161 K162 L167 T168 E169 | P161-A165 HydrophobicContact CB-CB 4.22Å; K162-A165 WeakPolarHBondContact O-CB 3.4Å; K162-A165 PolarHBondContact O-N 2.64Å; A165-L167 VanDerWaalsContact C-N 3.29Å; A165-L167 PolarHBondContact O-N 3.31Å; A165-T168 PolarHBondContact O-N 2.86Å; A165-T168 VanDerWaalsContact O-N 3.14Å; A165-E169 WeakPolarHBondContact O-CB 3.31Å; A165-E169 PolarHBondContact O-N 3.49Å |
| 166 | I | 88.4 | Confident | 74.5 | Confident | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 175.1 | -58.4 | -178.3 | 0 | 0 | 0 | 110.7 | P161 K162 A170 I189 Y193 L196 | P161-I166 HydrophobicContact CB-CD1 4.41Å; P161-I166 HydrophobicContact CB-CG1 3.91Å; P161-I166 HydrophobicContact CG-CD1 4.07Å; P161-I166 HydrophobicContact CG-CG1 3.96Å; P161-I166 WeakPolarHBondContact O-CD1 3.41Å; K162-I166 PolarHBondContact O-N 2.89Å; I166-A170 VanDerWaalsContact O-CB 3.26Å; I166-A170 WeakPolarHBondContact O-CB 2.98Å; I166-A170 PolarHBondContact O-N 3.14Å; I166-I189 HydrophobicContact CG2-CB 4.4Å; I166-I189 HydrophobicContact CG2-CD1 3.98Å; I166-I189 HydrophobicContact CG2-CG1 3.83Å; I166-I189 HydrophobicContact CG2-CG2 3.7Å; I166-Y193 HydrophobicContact CD1-CD1 4.5Å; I166-Y193 HydrophobicContact CD1-CG 4.44Å; I166-Y193 HydrophobicContact CG2-CD2 3.65Å; I166-Y193 HydrophobicContact CG2-CE2 3.81Å; I166-Y193 HydrophobicContact CG2-CG 4.42Å; I166-L196 HydrophobicContact CD1-CD1 3.84Å; I166-L196 HydrophobicContact CG2-CD1 4.44Å |
| 167 | L | 89.8 | Confident | 76 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 173.1 | 172.7 | 60.8 | 0 | 0 | 0 | 112.1 | M163 A165 E169 A170 I171 I185 L205 A208 L209 E212 I218 | M163-L167 WeakPolarHBondContact O-CB 3.43Å; M163-L167 PolarHBondContact O-N 3.36Å; A165-L167 VanDerWaalsContact C-N 3.29Å; A165-L167 PolarHBondContact O-N 3.31Å; L167-E169 VanDerWaalsContact C-N 3.33Å; L167-E169 PolarHBondContact O-N 3Å; L167-A170 PolarHBondContact O-N 3.3Å; L167-I171 HydrophobicContact CD1-CD1 3.79Å; L167-I171 HydrophobicContact CD1-CG1 4.25Å; L167-I171 HydrophobicContact CG-CD1 4.04Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.41Å; L167-I171 PolarHBondContact O-N 2.84Å; L167-I185 HydrophobicContact CD1-CD1 4.27Å; L167-I185 HydrophobicContact CD1-CG2 3.66Å; L167-L205 HydrophobicContact CD1-CD1 3.96Å; L167-A208 HydrophobicContact CD2-CB 3.98Å; L167-L209 HydrophobicContact CD1-CD2 3.81Å; L167-L209 HydrophobicContact CD1-CG 4.17Å; L167-L209 HydrophobicContact CD2-CD2 4.06Å; L167-L209 HydrophobicContact CD2-CG 4.13Å; L167-E212 HydrophobicContact CD2-CB 4.24Å; L167-I218 HydrophobicContact CD2-CD1 4.44Å |
| 168 | T | 89.9 | Confident | 77.8 | Confident | 25 Ų | 25 | 73.7 Ų | 73.7 | 15% | 0.153 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 179 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | D164 A165 K172 V232 | D164-T168 WeakPolarHBondContact O-CB 3.41Å; D164-T168 PolarHBondContact O-N 3.36Å; D164-T168 PolarHBondContact O-OG1 3.49Å; A165-T168 PolarHBondContact O-N 2.86Å; A165-T168 VanDerWaalsContact O-N 3.14Å; T168-K172 WeakPolarHBondContact O-CG 3.39Å; T168-K172 PolarHBondContact O-N 2.99Å; T168-K172 VanDerWaalsContact O-N 3.08Å; T168-V232 HydrophobicContact CG2-CG1 4.24Å; T168-V232 HydrophobicContact CG2-CG2 3.87Å |
| 169 | E | 91.1 | Very high | 79.8 | Confident | 54 Ų | 54 | 71.4 Ų | 71.4 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.5 | -48 | 174.2 | -171.5 | -158.2 | 124.4 | 0 | 0 | 111.8 | A165 L167 I171 K172 A173 Y188 K192 Y193 | A165-E169 WeakPolarHBondContact O-CB 3.31Å; A165-E169 PolarHBondContact O-N 3.49Å; L167-E169 VanDerWaalsContact C-N 3.33Å; L167-E169 PolarHBondContact O-N 3Å; E169-I171 VanDerWaalsContact C-N 3.31Å; E169-I171 PolarHBondContact O-N 2.97Å; E169-K172 WeakPolarHBondContact O-CB 3.41Å; E169-K172 PolarHBondContact O-N 3.38Å; E169-K172 VanDerWaalsContact O-N 3.12Å; E169-A173 WeakPolarHBondContact O-CB 3.45Å; E169-A173 PolarHBondContact O-N 3.26Å; E169-Y188 PolarHBondContact OE1-OH 2.88Å; E169-K192 WeakPolarHBondContact OE1-CD 3.44Å; E169-K192 WeakPolarHBondContact OE1-CE 3.29Å; E169-K192 IonicContact OE1-NZ 2.64Å; E169-K192 PolarHBondContact OE1-NZ 3.42Å; E169-Y193 PolarHBondContact OE2-OH 3.1Å |
| 170 | A | 91.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I166 L167 S174 I185 Y188 I189 | I166-A170 VanDerWaalsContact O-CB 3.26Å; I166-A170 WeakPolarHBondContact O-CB 2.98Å; I166-A170 PolarHBondContact O-N 3.14Å; L167-A170 PolarHBondContact O-N 3.3Å; A170-S174 WeakPolarHBondContact O-CB 3.26Å; A170-S174 PolarHBondContact O-N 3.16Å; A170-S174 PolarHBondContact O-OG 3.1Å; A170-I185 HydrophobicContact CB-CG2 4.08Å; A170-Y188 HydrophobicContact CB-CD1 3.47Å; A170-Y188 VanDerWaalsContact CB-CD1 3.47Å; A170-Y188 HydrophobicContact CB-CE1 4.09Å; A170-Y188 HydrophobicContact CB-CG 4.12Å; A170-I189 HydrophobicContact CB-CD1 3.94Å; A170-I189 HydrophobicContact CB-CG1 3.7Å |
| 171 | I | 90.4 | Very high | 83.8 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 6% | 0.056 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.9 | -40.5 | 174.4 | -65 | 163.6 | 0 | 0 | 0 | 111 | L167 E169 S174 A180 I185 I218 F230 V232 | L167-I171 HydrophobicContact CD1-CD1 3.79Å; L167-I171 HydrophobicContact CD1-CG1 4.25Å; L167-I171 HydrophobicContact CG-CD1 4.04Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.41Å; L167-I171 PolarHBondContact O-N 2.84Å; E169-I171 VanDerWaalsContact C-N 3.31Å; E169-I171 PolarHBondContact O-N 2.97Å; I171-S174 PolarHBondContact O-N 2.98Å; I171-A180 HydrophobicContact CB-CB 4.34Å; I171-A180 HydrophobicContact CG1-CB 4.26Å; I171-A180 HydrophobicContact CG2-CB 4.12Å; I171-I185 HydrophobicContact CD1-CD1 4.12Å; I171-I185 HydrophobicContact CG1-CD1 3.57Å; I171-I185 HydrophobicContact CG1-CG1 3.89Å; I171-I218 HydrophobicContact CD1-CD1 4.4Å; I171-I218 HydrophobicContact CD1-CG2 3.74Å; I171-F230 HydrophobicContact CD1-CB 4.14Å; I171-F230 WeakPolarHBondContact CG2-O 3.44Å; I171-V232 HydrophobicContact CB-CG2 3.97Å; I171-V232 HydrophobicContact CG2-CG2 3.77Å |
| 172 | K | 89.1 | Confident | 85.2 | Confident | 123 Ų | 123 | 55.4 Ų | 55.4 | 54% | 0.535 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 175.5 | -77 | 173.9 | 177.4 | -175.9 | 0 | 111.9 | T168 E169 S174 F175 V232 | T168-K172 WeakPolarHBondContact O-CG 3.39Å; T168-K172 PolarHBondContact O-N 2.99Å; T168-K172 VanDerWaalsContact O-N 3.08Å; E169-K172 WeakPolarHBondContact O-CB 3.41Å; E169-K172 PolarHBondContact O-N 3.38Å; E169-K172 VanDerWaalsContact O-N 3.12Å; K172-S174 VanDerWaalsContact C-N 3.29Å; K172-S174 PolarHBondContact O-N 3.24Å; K172-F175 WeakPolarHBondContact O-CD1 3.41Å; K172-F175 VanDerWaalsContact O-CD2 3.26Å; K172-F175 WeakPolarHBondContact O-CD2 3.39Å; K172-F175 WeakPolarHBondContact O-CE1 3.29Å; K172-F175 VanDerWaalsContact O-CE2 3.23Å; K172-F175 WeakPolarHBondContact O-CE2 3.34Å; K172-F175 WeakPolarHBondContact O-CG 3.26Å; K172-F175 VanDerWaalsContact O-CZ 3.3Å; K172-F175 WeakPolarHBondContact O-CZ 3.21Å; K172-V232 HydrophobicContact CG-CG2 4.27Å |
| 173 | A | 88.4 | Confident | 85.9 | Confident | 40 Ų | 40 | 55 Ų | 55 | 33% | 0.331 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.7 | -29.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E169 F175 Y188 | E169-A173 WeakPolarHBondContact O-CB 3.45Å; E169-A173 PolarHBondContact O-N 3.26Å; A173-F175 WeakPolarHBondContact O-CD2 3.25Å; A173-F175 PolarHBondContact O-N 2.81Å; A173-Y188 HydrophobicContact CB-CD2 4.15Å; A173-Y188 HydrophobicContact CB-CE1 4.37Å; A173-Y188 HydrophobicContact CB-CE2 3.38Å; A173-Y188 WeakPolarHBondContact CB-OH 3.42Å |
| 174 | S | 83.3 | Confident | 86.1 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 14% | 0.14 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -81.2 | 64.8 | 173.5 | -59 | 0 | 0 | 0 | 0 | 111.1 | A170 I171 K172 Q176 A180 | A170-S174 WeakPolarHBondContact O-CB 3.26Å; A170-S174 PolarHBondContact O-N 3.16Å; A170-S174 PolarHBondContact O-OG 3.1Å; I171-S174 PolarHBondContact O-N 2.98Å; K172-S174 VanDerWaalsContact C-N 3.29Å; K172-S174 PolarHBondContact O-N 3.24Å; S174-Q176 PolarHBondContact O-N 3.05Å; S174-A180 VanDerWaalsContact CB-CB 3.48Å |
| 175 | F | 67.3 | Low | 86.3 | Confident | 191 Ų | 191 | 54 Ų | 54 | 84% | 0.838 | 29% | 0.289 | S | S | * | . | trans | -63.5 | 67.4 | -177 | -71.6 | -79 | 0 | 0 | 0 | 114.1 | K172 A173 | K172-F175 WeakPolarHBondContact O-CD1 3.41Å; K172-F175 VanDerWaalsContact O-CD2 3.26Å; K172-F175 WeakPolarHBondContact O-CD2 3.39Å; K172-F175 WeakPolarHBondContact O-CE1 3.29Å; K172-F175 VanDerWaalsContact O-CE2 3.23Å; K172-F175 WeakPolarHBondContact O-CE2 3.34Å; K172-F175 WeakPolarHBondContact O-CG 3.26Å; K172-F175 VanDerWaalsContact O-CZ 3.3Å; K172-F175 WeakPolarHBondContact O-CZ 3.21Å; A173-F175 WeakPolarHBondContact O-CD2 3.25Å; A173-F175 PolarHBondContact O-N 2.81Å | ||
| 176 | Q | 77.8 | Confident | 86.4 | Confident | 91 Ų | 91 | 55.2 Ų | 55.2 | 43% | 0.425 | 28% | 0.283 | S | S | . | . | trans | -98.1 | 126.7 | 175.4 | -65 | -176.8 | -29.4 | 0 | 0 | 109.2 | S174 T178 G179 | S174-Q176 PolarHBondContact O-N 3.05Å; Q176-T178 PolarHBondContact O-N 3.18Å; Q176-G179 PolarHBondContact O-N 3.43Å; Q176-G179 PolarHBondContact OE1-O 3.14Å | ||
| 177 | K | 72.9 | Confident | 86.5 | Confident | 223 Ų | 223 | 62.5 Ų | 62.5 | 97% | 0.97 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -25.9 | 179.5 | -63.9 | -174 | 179.4 | -178.5 | 0 | 113.2 | ||
| 178 | T | 80.1 | Confident | 86.6 | Confident | 96 Ų | 96 | 65.4 Ų | 65.4 | 59% | 0.589 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 2.7 | 178.6 | 48.8 | 0 | 0 | 0 | 0 | 114.3 | Q176 V221 S229 | Q176-T178 PolarHBondContact O-N 3.18Å; T178-V221 WeakPolarHBondContact O-CG1 3.43Å; T178-S229 WeakPolarHBondContact O-CB 3.34Å |
| 179 | G | 84.3 | Confident | 86.6 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | trans | 86.7 | 147.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q176 S181 S229 F230 | Q176-G179 PolarHBondContact O-N 3.43Å; Q176-G179 PolarHBondContact OE1-O 3.14Å; G179-S181 PolarHBondContact O-N 3.35Å; G179-S229 VanDerWaalsContact O-CB 3.27Å; G179-S229 WeakPolarHBondContact O-CB 3.48Å; G179-S229 PolarHBondContact O-OG 2.73Å; G179-F230 CarbonylContact C-O 3.59Å; G179-F230 VanDerWaalsContact CA-O 3.3Å; G179-F230 WeakPolarHBondContact CA-O 3.31Å | ||
| 180 | A | 89.9 | Confident | 86.6 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 127 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I171 S174 I185 S229 F230 | I171-A180 HydrophobicContact CB-CB 4.34Å; I171-A180 HydrophobicContact CG1-CB 4.26Å; I171-A180 HydrophobicContact CG2-CB 4.12Å; S174-A180 VanDerWaalsContact CB-CB 3.48Å; A180-I185 HydrophobicContact CB-CD1 4.11Å; A180-I185 HydrophobicContact CB-CG1 3.84Å; A180-S229 WeakPolarHBondContact O-CA 3.4Å; A180-F230 PolarHBondContact N-O 3.34Å; A180-F230 PolarHBondContact O-N 3.25Å |
| 181 | S | 90.5 | Very high | 86.4 | Confident | 37 Ų | 37 | 71.7 Ų | 71.7 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 155.3 | 176.1 | 77.7 | 0 | 0 | 0 | 0 | 112.4 | G179 V183 A184 I185 G228 | G179-S181 PolarHBondContact O-N 3.35Å; S181-V183 PolarHBondContact O-N 2.98Å; S181-V183 VanDerWaalsContact O-N 3.09Å; S181-A184 PolarHBondContact O-N 2.83Å; S181-A184 PolarHBondContact OG-N 2.9Å; S181-I185 VanDerWaalsContact O-CG1 3.27Å; S181-I185 WeakPolarHBondContact O-CG1 3.48Å; S181-I185 PolarHBondContact O-N 3.48Å; S181-G228 WeakPolarHBondContact CA-O 3.28Å |
| 182 | V | 89.3 | Confident | 86.4 | Confident | 27 Ų | 27 | 76 Ų | 76 | 16% | 0.164 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -51.7 | -34.9 | 174.1 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | R186 L205 L209 A226 G228 F230 | V182-R186 VanDerWaalsContact O-CB 3.25Å; V182-R186 WeakPolarHBondContact O-CB 3.44Å; V182-R186 PolarHBondContact O-N 3.04Å; V182-L205 HydrophobicContact CG1-CD2 4.14Å; V182-L209 HydrophobicContact CG1-CD1 4.23Å; V182-L209 HydrophobicContact CG2-CD1 4.13Å; V182-A226 WeakPolarHBondContact CG2-O 3.47Å; V182-G228 PolarHBondContact N-O 3.1Å; V182-F230 HydrophobicContact CG2-CD2 4.5Å; V182-F230 HydrophobicContact CG2-CE2 3.72Å |
| 183 | V | 89.6 | Confident | 86.3 | Confident | 113 Ų | 113 | 72.7 Ų | 72.7 | 69% | 0.685 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -72 | -43.8 | 179.9 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | S181 R186 K187 | S181-V183 PolarHBondContact O-N 2.98Å; S181-V183 VanDerWaalsContact O-N 3.09Å; V183-R186 PolarHBondContact O-N 3.39Å; V183-K187 WeakPolarHBondContact O-CB 3.17Å; V183-K187 PolarHBondContact O-N 3.4Å |
| 184 | A | 90.1 | Very high | 86 | Confident | 24 Ų | 24 | 75.3 Ų | 75.3 | 20% | 0.198 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S181 R186 K187 Y188 | S181-A184 PolarHBondContact O-N 2.83Å; S181-A184 PolarHBondContact OG-N 2.9Å; A184-R186 PolarHBondContact O-N 2.76Å; A184-K187 PolarHBondContact O-N 2.94Å; A184-Y188 WeakPolarHBondContact O-CB 3.49Å; A184-Y188 PolarHBondContact O-N 3.48Å |
| 185 | I | 90.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.8 | -48.3 | 175.6 | -64.2 | 163.8 | 0 | 0 | 0 | 110.5 | L167 A170 I171 A180 S181 K187 Y188 I189 L205 F230 | L167-I185 HydrophobicContact CD1-CD1 4.27Å; L167-I185 HydrophobicContact CD1-CG2 3.66Å; A170-I185 HydrophobicContact CB-CG2 4.08Å; I171-I185 HydrophobicContact CD1-CD1 4.12Å; I171-I185 HydrophobicContact CG1-CD1 3.57Å; I171-I185 HydrophobicContact CG1-CG1 3.89Å; A180-I185 HydrophobicContact CB-CD1 4.11Å; A180-I185 HydrophobicContact CB-CG1 3.84Å; S181-I185 VanDerWaalsContact O-CG1 3.27Å; S181-I185 WeakPolarHBondContact O-CG1 3.48Å; S181-I185 PolarHBondContact O-N 3.48Å; I185-K187 PolarHBondContact O-N 2.7Å; I185-Y188 PolarHBondContact O-N 3.02Å; I185-I189 HydrophobicContact CG2-CD1 3.73Å; I185-I189 VanDerWaalsContact O-CG1 3.26Å; I185-I189 WeakPolarHBondContact O-CG1 3.41Å; I185-I189 PolarHBondContact O-N 3.04Å; I185-L205 HydrophobicContact CG2-CD1 3.79Å; I185-L205 HydrophobicContact CG2-CD2 4.44Å; I185-F230 HydrophobicContact CD1-CD2 4.33Å |
| 186 | R | 90.1 | Very high | 86.4 | Confident | 76 Ų | 76 | 72.6 Ų | 72.6 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 176.8 | 177.9 | -176.7 | -74 | -155.2 | 0.3 | 111.1 | V182 V183 A184 Y188 I189 I190 L205 | V182-R186 VanDerWaalsContact O-CB 3.25Å; V182-R186 WeakPolarHBondContact O-CB 3.44Å; V182-R186 PolarHBondContact O-N 3.04Å; V183-R186 PolarHBondContact O-N 3.39Å; A184-R186 PolarHBondContact O-N 2.76Å; R186-Y188 PolarHBondContact O-N 3.48Å; R186-I189 PolarHBondContact O-N 3.35Å; R186-I190 HydrophobicContact CG-CD1 3.52Å; R186-I190 HydrophobicContact CG-CG1 4.31Å; R186-I190 VanDerWaalsContact O-CG1 3.31Å; R186-I190 WeakPolarHBondContact O-CG1 3.36Å; R186-I190 PolarHBondContact O-N 3.15Å; R186-L205 HydrophobicContact CB-CD2 3.85Å |
| 187 | K | 91.9 | Very high | 86.5 | Confident | 158 Ų | 158 | 69.6 Ų | 69.6 | 69% | 0.687 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.2 | -43.1 | -179 | -171.3 | 176.2 | -178.5 | 179.7 | 0 | 111.8 | V183 A184 I185 H191 | V183-K187 WeakPolarHBondContact O-CB 3.17Å; V183-K187 PolarHBondContact O-N 3.4Å; A184-K187 PolarHBondContact O-N 2.94Å; I185-K187 PolarHBondContact O-N 2.7Å; K187-H191 WeakPolarHBondContact O-CB 3.22Å; K187-H191 PolarHBondContact O-N 3.37Å; K187-H191 VanDerWaalsContact O-N 3.08Å |
| 188 | Y | 90.8 | Very high | 86.9 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 24% | 0.239 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.5 | -49.5 | 175.4 | -175.2 | -89 | 0 | 0 | 0 | 111.8 | E169 A170 A173 A184 I185 R186 H191 K192 | E169-Y188 PolarHBondContact OE1-OH 2.88Å; A170-Y188 HydrophobicContact CB-CD1 3.47Å; A170-Y188 VanDerWaalsContact CB-CD1 3.47Å; A170-Y188 HydrophobicContact CB-CE1 4.09Å; A170-Y188 HydrophobicContact CB-CG 4.12Å; A173-Y188 HydrophobicContact CB-CD2 4.15Å; A173-Y188 HydrophobicContact CB-CE1 4.37Å; A173-Y188 HydrophobicContact CB-CE2 3.38Å; A173-Y188 WeakPolarHBondContact CB-OH 3.42Å; A184-Y188 WeakPolarHBondContact O-CB 3.49Å; A184-Y188 PolarHBondContact O-N 3.48Å; I185-Y188 PolarHBondContact O-N 3.02Å; R186-Y188 PolarHBondContact O-N 3.48Å; Y188-H191 PolarHBondContact O-N 3.19Å; Y188-K192 HydrophobicContact CE1-CB 4.33Å; Y188-K192 HydrophobicContact CE1-CD 3.71Å; Y188-K192 WeakPolarHBondContact O-CB 3.49Å; Y188-K192 PolarHBondContact O-N 3.08Å; Y188-K192 WeakPolarHBondContact OH-CD 3.44Å; Y188-K192 PolarHBondContact OH-NZ 3.49Å |
| 189 | I | 90.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.9 | -33.9 | -175.4 | -57.4 | 169.3 | 0 | 0 | 0 | 111.5 | M163 I166 A170 I185 R186 Y193 L196 L198 L205 | M163-I189 HydrophobicContact CE-CD1 3.92Å; I166-I189 HydrophobicContact CG2-CB 4.4Å; I166-I189 HydrophobicContact CG2-CD1 3.98Å; I166-I189 HydrophobicContact CG2-CG1 3.83Å; I166-I189 HydrophobicContact CG2-CG2 3.7Å; A170-I189 HydrophobicContact CB-CD1 3.94Å; A170-I189 HydrophobicContact CB-CG1 3.7Å; I185-I189 HydrophobicContact CG2-CD1 3.73Å; I185-I189 VanDerWaalsContact O-CG1 3.26Å; I185-I189 WeakPolarHBondContact O-CG1 3.41Å; I185-I189 PolarHBondContact O-N 3.04Å; R186-I189 PolarHBondContact O-N 3.35Å; I189-Y193 HydrophobicContact CG2-CD2 4.24Å; I189-Y193 CarbonylContact O-C 3.55Å; I189-Y193 VanDerWaalsContact O-C 3.31Å; I189-Y193 VanDerWaalsContact O-CA 3.28Å; I189-Y193 WeakPolarHBondContact O-CA 3.47Å; I189-Y193 WeakPolarHBondContact O-CB 3.43Å; I189-Y193 PolarHBondContact O-N 2.57Å; I189-L196 HydrophobicContact CG2-CD1 3.52Å; I189-L198 HydrophobicContact CB-CD1 3.71Å; I189-L198 HydrophobicContact CD1-CD1 4.38Å; I189-L198 HydrophobicContact CG2-CD1 3.39Å; I189-L205 HydrophobicContact CD1-CD1 4.34Å |
| 190 | I | 90.4 | Very high | 86.8 | Confident | 48 Ų | 48 | 72.4 Ų | 72.4 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 172.2 | -69.2 | 164.3 | 0 | 0 | 0 | 110.7 | R186 P194 L198 E199 | R186-I190 HydrophobicContact CG-CD1 3.52Å; R186-I190 HydrophobicContact CG-CG1 4.31Å; R186-I190 VanDerWaalsContact O-CG1 3.31Å; R186-I190 WeakPolarHBondContact O-CG1 3.36Å; R186-I190 PolarHBondContact O-N 3.15Å; I190-P194 WeakPolarHBondContact O-CA 3.16Å; I190-L198 HydrophobicContact CG1-CB 4.04Å; I190-E199 WeakPolarHBondContact CD1-OE2 3.49Å |
| 191 | H | 88.3 | Confident | 86.4 | Confident | 164 Ų | 164 | 78.1 Ų | 78.1 | 76% | 0.759 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -71.2 | -36.2 | -178.3 | -168.6 | -64.6 | 0 | 0 | 0 | 113.2 | K187 Y188 | K187-H191 WeakPolarHBondContact O-CB 3.22Å; K187-H191 PolarHBondContact O-N 3.37Å; K187-H191 VanDerWaalsContact O-N 3.08Å; Y188-H191 PolarHBondContact O-N 3.19Å |
| 192 | K | 89.3 | Confident | 85.9 | Confident | 101 Ų | 101 | 76.9 Ų | 76.9 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -93.3 | -26.2 | -177.2 | -165.9 | 172.5 | -177.7 | -174.5 | 0 | 114 | E169 Y188 | E169-K192 WeakPolarHBondContact OE1-CD 3.44Å; E169-K192 WeakPolarHBondContact OE1-CE 3.29Å; E169-K192 IonicContact OE1-NZ 2.64Å; E169-K192 PolarHBondContact OE1-NZ 3.42Å; Y188-K192 HydrophobicContact CE1-CB 4.33Å; Y188-K192 HydrophobicContact CE1-CD 3.71Å; Y188-K192 WeakPolarHBondContact O-CB 3.49Å; Y188-K192 PolarHBondContact O-N 3.08Å; Y188-K192 WeakPolarHBondContact OH-CD 3.44Å; Y188-K192 PolarHBondContact OH-NZ 3.49Å |
| 193 | Y | 86.3 | Confident | 85.8 | Confident | 54 Ų | 54 | 82.1 Ų | 82.1 | 21% | 0.212 | 40% | 0.396 | C | S | . | . | trans | -136.3 | 59.4 | -176.3 | -60.1 | -77.6 | 0 | 0 | 0 | 111.8 | I166 E169 I189 S195 L196 | I166-Y193 HydrophobicContact CD1-CD1 4.5Å; I166-Y193 HydrophobicContact CD1-CG 4.44Å; I166-Y193 HydrophobicContact CG2-CD2 3.65Å; I166-Y193 HydrophobicContact CG2-CE2 3.81Å; I166-Y193 HydrophobicContact CG2-CG 4.42Å; E169-Y193 PolarHBondContact OE2-OH 3.1Å; I189-Y193 HydrophobicContact CG2-CD2 4.24Å; I189-Y193 CarbonylContact O-C 3.55Å; I189-Y193 VanDerWaalsContact O-C 3.31Å; I189-Y193 VanDerWaalsContact O-CA 3.28Å; I189-Y193 WeakPolarHBondContact O-CA 3.47Å; I189-Y193 WeakPolarHBondContact O-CB 3.43Å; I189-Y193 PolarHBondContact O-N 2.57Å; Y193-S195 PolarHBondContact O-N 3.1Å; Y193-S195 VanDerWaalsContact O-N 3.1Å; Y193-L196 HydrophobicContact CG-CD1 4.42Å; Y193-L196 WeakPolarHBondContact O-CB 3.34Å; Y193-L196 PolarHBondContact O-N 2.95Å | ||
| 194 | P | 83.1 | Confident | 85.8 | Confident | 94 Ų | 94 | 79.3 Ų | 79.3 | 61% | 0.61 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -57.5 | -29.4 | -177.6 | 22.6 | -33.7 | 0 | 0 | 0 | 113.1 | I190 L196 G197 | I190-P194 WeakPolarHBondContact O-CA 3.16Å; P194-L196 PolarHBondContact O-N 2.98Å; P194-L196 VanDerWaalsContact O-N 3.1Å; P194-G197 PolarHBondContact O-N 2.95Å |
| 195 | S | 79 | Confident | 85.8 | Confident | 107 Ų | 107 | 78.2 Ų | 78.2 | 75% | 0.748 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -58.8 | -18.6 | 175.9 | 55.4 | 0 | 0 | 0 | 0 | 115.1 | Y193 G197 | Y193-S195 PolarHBondContact O-N 3.1Å; Y193-S195 VanDerWaalsContact O-N 3.1Å; S195-G197 VanDerWaalsContact C-N 3.3Å |
| 196 | L | 79.8 | Confident | 85.7 | Confident | 47 Ų | 47 | 84.1 Ų | 84.1 | 25% | 0.246 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -71.6 | -23.5 | 172.9 | -70.3 | 170.8 | 0 | 0 | 0 | 113.1 | M163 I166 I189 Y193 P194 L198 R201 | M163-L196 HydrophobicContact SD-CD1 4.34Å; I166-L196 HydrophobicContact CD1-CD1 3.84Å; I166-L196 HydrophobicContact CG2-CD1 4.44Å; I189-L196 HydrophobicContact CG2-CD1 3.52Å; Y193-L196 HydrophobicContact CG-CD1 4.42Å; Y193-L196 WeakPolarHBondContact O-CB 3.34Å; Y193-L196 PolarHBondContact O-N 2.95Å; P194-L196 PolarHBondContact O-N 2.98Å; P194-L196 VanDerWaalsContact O-N 3.1Å; L196-L198 VanDerWaalsContact C-N 3.33Å; L196-L198 HydrophobicContact CB-CG 4.23Å; L196-L198 PolarHBondContact O-N 3.14Å; L196-R201 PolarHBondContact O-NH1 3.47Å |
| 197 | G | 79.5 | Confident | 85.7 | Confident | 28 Ų | 28 | 86.6 Ų | 86.6 | 29% | 0.289 | 41% | 0.408 | S | S | . | . | trans | 63.3 | 33.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | P194 S195 E199 R200 R201 | P194-G197 PolarHBondContact O-N 2.95Å; S195-G197 VanDerWaalsContact C-N 3.3Å; G197-E199 PolarHBondContact O-N 3.04Å; G197-E199 VanDerWaalsContact O-N 3.1Å; G197-R200 PolarHBondContact O-N 2.93Å; G197-R200 VanDerWaalsContact O-N 3.14Å; G197-R201 PolarHBondContact O-N 3.46Å | ||
| 198 | L | 82.7 | Confident | 85.5 | Confident | 5 Ų | 5 | 79.2 Ų | 79.2 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.7 | -174.6 | -82.1 | -179.5 | 0 | 0 | 0 | 114.9 | M163 I189 I190 L196 R200 R201 G202 L204 L205 | M163-L198 HydrophobicContact CE-CD1 4.03Å; M163-L198 HydrophobicContact CE-CD2 4.21Å; I189-L198 HydrophobicContact CB-CD1 3.71Å; I189-L198 HydrophobicContact CD1-CD1 4.38Å; I189-L198 HydrophobicContact CG2-CD1 3.39Å; I190-L198 HydrophobicContact CG1-CB 4.04Å; L196-L198 VanDerWaalsContact C-N 3.33Å; L196-L198 HydrophobicContact CB-CG 4.23Å; L196-L198 PolarHBondContact O-N 3.14Å; L198-R200 VanDerWaalsContact C-N 3.32Å; L198-R200 PolarHBondContact O-N 2.94Å; L198-R201 CarbonylContact O-C 3.59Å; L198-R201 PolarHBondContact O-N 2.87Å; L198-G202 WeakPolarHBondContact O-CA 3.39Å; L198-G202 PolarHBondContact O-N 3.43Å; L198-G202 VanDerWaalsContact O-N 3.14Å; L198-L204 HydrophobicContact CD2-CB 4.28Å; L198-L205 HydrophobicContact CD2-CB 4.26Å |
| 199 | E | 80.1 | Confident | 85.5 | Confident | 131 Ų | 131 | 76.4 Ų | 76.4 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -47.6 | 173.7 | -150.2 | 68 | -91.4 | 0 | 0 | 111.2 | I190 G197 | I190-E199 WeakPolarHBondContact CD1-OE2 3.49Å; G197-E199 PolarHBondContact O-N 3.04Å; G197-E199 VanDerWaalsContact O-N 3.1Å |
| 200 | R | 80.3 | Confident | 85.5 | Confident | 244 Ų | 244 | 83.1 Ų | 83.1 | 92% | 0.921 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -31.7 | 174.1 | -67.8 | -170.1 | -101.7 | 178.3 | -6.1 | 112.4 | G197 L198 G202 | G197-R200 PolarHBondContact O-N 2.93Å; G197-R200 VanDerWaalsContact O-N 3.14Å; L198-R200 VanDerWaalsContact C-N 3.32Å; L198-R200 PolarHBondContact O-N 2.94Å; R200-G202 PolarHBondContact O-N 3.38Å |
| 201 | R | 81.4 | Confident | 85.4 | Confident | 122 Ų | 122 | 86.6 Ų | 86.6 | 46% | 0.46 | 41% | 0.405 | S | S | . | . | trans | -99.1 | 36 | -174 | -55.6 | -171.9 | -171 | 122.7 | -5 | 114.7 | L196 G197 L198 Y203 L204 | L196-R201 PolarHBondContact O-NH1 3.47Å; G197-R201 PolarHBondContact O-N 3.46Å; L198-R201 CarbonylContact O-C 3.59Å; L198-R201 PolarHBondContact O-N 2.87Å; R201-Y203 HydrophobicContact CB-CE1 3.98Å; R201-Y203 HydrophobicContact CG-CE1 4.36Å; R201-Y203 PolarHBondContact O-N 2.91Å; R201-L204 HydrophobicContact CB-CD1 3.78Å; R201-L204 HydrophobicContact CB-CG 4.25Å; R201-L204 HydrophobicContact CG-CD1 4.5Å; R201-L204 PolarHBondContact O-N 2.93Å | ||
| 202 | G | 81.2 | Confident | 85.4 | Confident | 11 Ų | 11 | 79.4 Ų | 79.4 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.2 | -12.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | L198 R200 | L198-G202 WeakPolarHBondContact O-CA 3.39Å; L198-G202 PolarHBondContact O-N 3.43Å; L198-G202 VanDerWaalsContact O-N 3.14Å; R200-G202 PolarHBondContact O-N 3.38Å |
| 203 | Y | 87.5 | Confident | 85.5 | Confident | 137 Ų | 137 | 77.3 Ų | 77.3 | 54% | 0.537 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.7 | -32.1 | 173.4 | 67.4 | -86.5 | 0 | 0 | 0 | 113.1 | R201 L205 K206 Q207 | R201-Y203 HydrophobicContact CB-CE1 3.98Å; R201-Y203 HydrophobicContact CG-CE1 4.36Å; R201-Y203 PolarHBondContact O-N 2.91Å; Y203-L205 VanDerWaalsContact C-N 3.29Å; Y203-L205 PolarHBondContact O-N 2.96Å; Y203-K206 WeakPolarHBondContact O-CB 3.45Å; Y203-K206 PolarHBondContact O-N 2.74Å; Y203-K206 VanDerWaalsContact O-N 3.1Å; Y203-Q207 PolarHBondContact O-N 3.12Å |
| 204 | L | 88.8 | Confident | 85.5 | Confident | 53 Ų | 53 | 80.4 Ų | 80.4 | 28% | 0.277 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 179.3 | -66.2 | 175.4 | 0 | 0 | 0 | 111.4 | L198 R201 Q207 A208 | L198-L204 HydrophobicContact CD2-CB 4.28Å; R201-L204 HydrophobicContact CB-CD1 3.78Å; R201-L204 HydrophobicContact CB-CG 4.25Å; R201-L204 HydrophobicContact CG-CD1 4.5Å; R201-L204 PolarHBondContact O-N 2.93Å; L204-Q207 PolarHBondContact O-N 2.7Å; L204-A208 WeakPolarHBondContact O-CB 3.39Å; L204-A208 PolarHBondContact O-N 3.06Å |
| 205 | L | 89.5 | Confident | 85.6 | Confident | 1 Ų | 1 | 81.9 Ų | 81.9 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 174.7 | 179.2 | 59.8 | 0 | 0 | 0 | 112.1 | M163 L167 V182 I185 R186 I189 L198 Y203 Q207 A208 L209 | M163-L205 HydrophobicContact CE-CB 4.09Å; M163-L205 HydrophobicContact CE-CD1 3.76Å; L167-L205 HydrophobicContact CD1-CD1 3.96Å; V182-L205 HydrophobicContact CG1-CD2 4.14Å; I185-L205 HydrophobicContact CG2-CD1 3.79Å; I185-L205 HydrophobicContact CG2-CD2 4.44Å; R186-L205 HydrophobicContact CB-CD2 3.85Å; I189-L205 HydrophobicContact CD1-CD1 4.34Å; L198-L205 HydrophobicContact CD2-CB 4.26Å; Y203-L205 VanDerWaalsContact C-N 3.29Å; Y203-L205 PolarHBondContact O-N 2.96Å; L205-Q207 VanDerWaalsContact C-N 3.34Å; L205-Q207 PolarHBondContact O-N 2.98Å; L205-A208 PolarHBondContact O-N 3.38Å; L205-L209 HydrophobicContact CD1-CD1 4.22Å; L205-L209 HydrophobicContact CD1-CG 4.34Å; L205-L209 HydrophobicContact CG-CD1 4.1Å; L205-L209 WeakPolarHBondContact O-CB 3.43Å; L205-L209 WeakPolarHBondContact O-CG 3.29Å; L205-L209 PolarHBondContact O-N 2.84Å |
| 206 | K | 88.8 | Confident | 85.8 | Confident | 124 Ų | 124 | 78.6 Ų | 78.6 | 54% | 0.539 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 175.5 | -66.6 | -178.2 | 179.3 | -179.2 | 0 | 111.7 | Y203 K210 A226 | Y203-K206 WeakPolarHBondContact O-CB 3.45Å; Y203-K206 PolarHBondContact O-N 2.74Å; Y203-K206 VanDerWaalsContact O-N 3.1Å; K206-K210 WeakPolarHBondContact O-CB 3.02Å; K206-K210 PolarHBondContact O-N 3.05Å; K206-A226 HydrophobicContact CB-CB 4.2Å; K206-A226 HydrophobicContact CG-CB 4.27Å |
| 207 | Q | 90.2 | Very high | 86.1 | Confident | 128 Ų | 128 | 77.9 Ų | 77.9 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -69 | -43.2 | 178.9 | -169.8 | 177.8 | 9.9 | 0 | 0 | 111.9 | Y203 L204 L205 K210 R211 | Y203-Q207 PolarHBondContact O-N 3.12Å; L204-Q207 PolarHBondContact O-N 2.7Å; L205-Q207 VanDerWaalsContact C-N 3.34Å; L205-Q207 PolarHBondContact O-N 2.98Å; Q207-K210 PolarHBondContact O-N 3.47Å; Q207-R211 PolarHBondContact O-N 2.88Å |
| 208 | A | 89.1 | Confident | 86.5 | Confident | 3 Ų | 3 | 76.7 Ų | 76.7 | 3% | 0.025 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M163 L167 L204 L205 K210 R211 E212 | M163-A208 HydrophobicContact CB-CB 4.17Å; M163-A208 HydrophobicContact CG-CB 3.52Å; L167-A208 HydrophobicContact CD2-CB 3.98Å; L204-A208 WeakPolarHBondContact O-CB 3.39Å; L204-A208 PolarHBondContact O-N 3.06Å; L205-A208 PolarHBondContact O-N 3.38Å; A208-K210 VanDerWaalsContact C-N 3.33Å; A208-K210 PolarHBondContact O-N 3.18Å; A208-R211 PolarHBondContact O-N 2.72Å; A208-R211 VanDerWaalsContact O-N 3.15Å; A208-E212 WeakPolarHBondContact O-CB 3.44Å; A208-E212 PolarHBondContact O-N 3.16Å |
| 209 | L | 90.4 | Very high | 86.8 | Confident | 2 Ų | 2 | 84.1 Ų | 84.1 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.1 | -45.7 | 173.6 | -80.1 | 165.7 | 0 | 0 | 0 | 111.9 | L167 V182 L205 E212 L213 I218 F230 | L167-L209 HydrophobicContact CD1-CD2 3.81Å; L167-L209 HydrophobicContact CD1-CG 4.17Å; L167-L209 HydrophobicContact CD2-CD2 4.06Å; L167-L209 HydrophobicContact CD2-CG 4.13Å; V182-L209 HydrophobicContact CG1-CD1 4.23Å; V182-L209 HydrophobicContact CG2-CD1 4.13Å; L205-L209 HydrophobicContact CD1-CD1 4.22Å; L205-L209 HydrophobicContact CD1-CG 4.34Å; L205-L209 HydrophobicContact CG-CD1 4.1Å; L205-L209 WeakPolarHBondContact O-CB 3.43Å; L205-L209 WeakPolarHBondContact O-CG 3.29Å; L205-L209 PolarHBondContact O-N 2.84Å; L209-E212 PolarHBondContact O-N 2.65Å; L209-L213 WeakPolarHBondContact O-CB 3.47Å; L209-L213 PolarHBondContact O-N 3.11Å; L209-I218 HydrophobicContact CD2-CD1 3.7Å; L209-F230 HydrophobicContact CD1-CE2 4.39Å; L209-F230 HydrophobicContact CD2-CD1 4.26Å; L209-F230 HydrophobicContact CD2-CD2 3.83Å; L209-F230 HydrophobicContact CD2-CE1 4.32Å; L209-F230 HydrophobicContact CD2-CE2 3.93Å; L209-F230 HydrophobicContact CD2-CG 4.02Å; L209-F230 HydrophobicContact CD2-CZ 4.17Å |
| 210 | K | 89.8 | Confident | 87.3 | Confident | 142 Ų | 142 | 80 Ų | 80 | 62% | 0.617 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 176.9 | -173.2 | 175 | 176.3 | 179.4 | 0 | 112.1 | K206 Q207 A208 N214 | K206-K210 WeakPolarHBondContact O-CB 3.02Å; K206-K210 PolarHBondContact O-N 3.05Å; Q207-K210 PolarHBondContact O-N 3.47Å; A208-K210 VanDerWaalsContact C-N 3.33Å; A208-K210 PolarHBondContact O-N 3.18Å; K210-N214 WeakPolarHBondContact O-CB 3.47Å; K210-N214 PolarHBondContact O-N 3.18Å; K210-N214 VanDerWaalsContact O-N 3.08Å; K210-N214 PolarHBondContact O-OD1 3.45Å |
| 211 | R | 89.1 | Confident | 87.7 | Confident | 121 Ų | 121 | 72 Ų | 72 | 46% | 0.457 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64 | -46 | 176.8 | 175.1 | 161.8 | 65.6 | -164.3 | -1.5 | 112.2 | D164 Q207 A208 N214 R215 | D164-R211 VanDerWaalsContact CG-NH2 3.25Å; D164-R211 IonicContact OD1-CZ 3.25Å; D164-R211 VanDerWaalsContact OD1-CZ 3.24Å; D164-R211 IonicContact OD1-NE 3.05Å; D164-R211 PolarHBondContact OD1-NE 2.89Å; D164-R211 IonicContact OD1-NH2 2.7Å; D164-R211 PolarHBondContact OD1-NH2 3.36Å; D164-R211 IonicContact OD2-CZ 2.65Å; D164-R211 VanDerWaalsContact OD2-CZ 3.25Å; D164-R211 IonicContact OD2-NE 3.87Å; D164-R211 PolarHBondContact OD2-NE 3.28Å; D164-R211 IonicContact OD2-NH2 3.68Å; D164-R211 PolarHBondContact OD2-NH2 3.1Å; Q207-R211 PolarHBondContact O-N 2.88Å; A208-R211 PolarHBondContact O-N 2.72Å; A208-R211 VanDerWaalsContact O-N 3.15Å; R211-N214 PolarHBondContact O-N 2.75Å; R211-R215 WeakPolarHBondContact O-CG 3.21Å; R211-R215 PolarHBondContact O-N 3.39Å |
| 212 | E | 88.3 | Confident | 87.8 | Confident | 13 Ų | 13 | 73.9 Ų | 73.9 | 6% | 0.061 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -78.7 | -26.7 | -172 | -143.4 | 54.1 | -145.5 | 0 | 0 | 112.8 | L167 A208 L209 R215 G216 V217 I218 | L167-E212 HydrophobicContact CD2-CB 4.24Å; A208-E212 WeakPolarHBondContact O-CB 3.44Å; A208-E212 PolarHBondContact O-N 3.16Å; L209-E212 PolarHBondContact O-N 2.65Å; E212-R215 PolarHBondContact O-N 2.81Å; E212-R215 WeakPolarHBondContact OE1-CD 3.47Å; E212-R215 IonicContact OE1-NH1 3.98Å; E212-R215 WeakPolarHBondContact OE2-CD 3.48Å; E212-R215 IonicContact OE2-CZ 2.74Å; E212-R215 IonicContact OE2-NE 3.78Å; E212-R215 IonicContact OE2-NH1 2.96Å; E212-R215 PolarHBondContact OE2-NH1 3.11Å; E212-G216 PolarHBondContact O-N 2.78Å; E212-V217 HydrophobicContact CG-CB 3.97Å; E212-V217 HydrophobicContact CG-CG1 4.06Å; E212-V217 PolarHBondContact O-N 3.39Å; E212-V217 VanDerWaalsContact O-N 3.16Å; E212-V217 VanDerWaalsContact OE1-CB 3.29Å; E212-V217 WeakPolarHBondContact OE1-CB 3.42Å; E212-V217 WeakPolarHBondContact OE1-CG1 3.09Å; E212-V217 WeakPolarHBondContact OE1-CG2 3.48Å; E212-I218 HydrophobicContact CB-CD1 4.09Å; E212-I218 HydrophobicContact CB-CG1 4.1Å; E212-I218 HydrophobicContact CG-CG2 4.35Å; E212-I218 PolarHBondContact O-N 3.06Å |
| 213 | L | 89.9 | Confident | 88 | Confident | 57 Ų | 57 | 76 Ų | 76 | 30% | 0.298 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.6 | -44.7 | 167.3 | -174.1 | 148 | 0 | 0 | 0 | 111.1 | L209 R215 G216 I218 Q220 F230 | L209-L213 WeakPolarHBondContact O-CB 3.47Å; L209-L213 PolarHBondContact O-N 3.11Å; L213-R215 PolarHBondContact O-N 3.39Å; L213-G216 PolarHBondContact O-N 2.84Å; L213-I218 HydrophobicContact CB-CD1 4.44Å; L213-I218 HydrophobicContact CB-CG1 4.12Å; L213-Q220 HydrophobicContact CD1-CB 3.91Å; L213-F230 HydrophobicContact CD1-CD1 4.42Å; L213-F230 HydrophobicContact CD1-CE1 3.89Å |
| 214 | N | 86.8 | Confident | 87.6 | Confident | 119 Ų | 119 | 78.7 Ų | 78.7 | 64% | 0.636 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.5 | -26.1 | 173.7 | -75.7 | 15 | 0 | 0 | 0 | 113.1 | K210 R211 G216 | K210-N214 WeakPolarHBondContact O-CB 3.47Å; K210-N214 PolarHBondContact O-N 3.18Å; K210-N214 VanDerWaalsContact O-N 3.08Å; K210-N214 PolarHBondContact O-OD1 3.45Å; R211-N214 PolarHBondContact O-N 2.75Å; N214-G216 VanDerWaalsContact C-N 3.34Å |
| 215 | R | 84.9 | Confident | 87.1 | Confident | 125 Ų | 125 | 78.2 Ų | 78.2 | 47% | 0.472 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -8.2 | 173.3 | -78.7 | 169.7 | 160.1 | 165.6 | -4.8 | 114.5 | D164 R211 E212 L213 V217 | D164-R215 IonicContact OD2-CZ 2.65Å; D164-R215 IonicContact OD2-NH1 3.89Å; D164-R215 PolarHBondContact OD2-NH1 3.24Å; D164-R215 IonicContact OD2-NH2 2.67Å; R211-R215 WeakPolarHBondContact O-CG 3.21Å; R211-R215 PolarHBondContact O-N 3.39Å; E212-R215 PolarHBondContact O-N 2.81Å; E212-R215 WeakPolarHBondContact OE1-CD 3.47Å; E212-R215 IonicContact OE1-NH1 3.98Å; E212-R215 WeakPolarHBondContact OE2-CD 3.48Å; E212-R215 IonicContact OE2-CZ 2.74Å; E212-R215 IonicContact OE2-NE 3.78Å; E212-R215 IonicContact OE2-NH1 2.96Å; E212-R215 PolarHBondContact OE2-NH1 3.11Å; L213-R215 PolarHBondContact O-N 3.39Å; R215-V217 HydrophobicContact CB-CG2 4.08Å; R215-V217 PolarHBondContact O-N 3.04Å |
| 216 | G | 84.4 | Confident | 86.5 | Confident | 37 Ų | 37 | 80.1 Ų | 80.1 | 38% | 0.381 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 25.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E212 L213 N214 | E212-G216 PolarHBondContact O-N 2.78Å; L213-G216 PolarHBondContact O-N 2.84Å; N214-G216 VanDerWaalsContact C-N 3.34Å |
| 217 | V | 86.1 | Confident | 86.1 | Confident | 32 Ų | 32 | 78.3 Ų | 78.3 | 19% | 0.194 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -91.4 | -27.1 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | E212 R215 V233 | E212-V217 HydrophobicContact CG-CB 3.97Å; E212-V217 HydrophobicContact CG-CG1 4.06Å; E212-V217 PolarHBondContact O-N 3.39Å; E212-V217 VanDerWaalsContact O-N 3.16Å; E212-V217 VanDerWaalsContact OE1-CB 3.29Å; E212-V217 WeakPolarHBondContact OE1-CB 3.42Å; E212-V217 WeakPolarHBondContact OE1-CG1 3.09Å; E212-V217 WeakPolarHBondContact OE1-CG2 3.48Å; R215-V217 HydrophobicContact CB-CG2 4.08Å; R215-V217 PolarHBondContact O-N 3.04Å; V217-V233 PolarHBondContact O-N 3Å |
| 218 | I | 88.2 | Confident | 85.9 | Confident | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.015 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.9 | 165.1 | 65.2 | 175.4 | 0 | 0 | 0 | 110.3 | L167 I171 L209 E212 L213 F230 V231 V232 | L167-I218 HydrophobicContact CD2-CD1 4.44Å; I171-I218 HydrophobicContact CD1-CD1 4.4Å; I171-I218 HydrophobicContact CD1-CG2 3.74Å; L209-I218 HydrophobicContact CD2-CD1 3.7Å; E212-I218 HydrophobicContact CB-CD1 4.09Å; E212-I218 HydrophobicContact CB-CG1 4.1Å; E212-I218 HydrophobicContact CG-CG2 4.35Å; E212-I218 PolarHBondContact O-N 3.06Å; L213-I218 HydrophobicContact CB-CD1 4.44Å; L213-I218 HydrophobicContact CB-CG1 4.12Å; I218-F230 HydrophobicContact CD1-CB 4.41Å; I218-F230 HydrophobicContact CD1-CD1 3.94Å; I218-F230 HydrophobicContact CD1-CG 4.32Å; I218-F230 HydrophobicContact CG1-CD1 4.49Å; I218-V231 CarbonylContact C-O 3.56Å; I218-V231 VanDerWaalsContact CA-O 3.31Å; I218-V231 WeakPolarHBondContact CA-O 3.4Å; I218-V232 HydrophobicContact CG2-CG2 4.25Å |
| 219 | R | 89 | Confident | 85.9 | Confident | 162 Ų | 162 | 73.7 Ų | 73.7 | 61% | 0.611 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 133.3 | 172 | -174 | 173 | 71.5 | -151.3 | 3.5 | 109.4 | F230 V231 V233 | R219-F230 WeakPolarHBondContact O-CA 3.42Å; R219-V231 PolarHBondContact N-O 3.27Å; R219-V231 PolarHBondContact O-N 3.16Å; R219-V233 HydrophobicContact CB-CG2 3.65Å |
| 220 | Q | 89.9 | Confident | 85.9 | Confident | 45 Ų | 45 | 73.7 Ų | 73.7 | 21% | 0.21 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 122.4 | 170.1 | -176.4 | 155.9 | 36.7 | 0 | 0 | 109.2 | L213 K222 G223 G225 S227 F230 | L213-Q220 HydrophobicContact CD1-CB 3.91Å; Q220-K222 WeakPolarHBondContact CG-O 3.29Å; Q220-G223 VanDerWaalsContact NE2-C 3.29Å; Q220-G225 PolarHBondContact NE2-O 3.22Å; Q220-G225 VanDerWaalsContact OE1-N 3.16Å; Q220-G225 PolarHBondContact OE1-O 3.43Å; Q220-S227 PolarHBondContact NE2-O 3.21Å; Q220-F230 HydrophobicContact CB-CD1 4.09Å; Q220-F230 HydrophobicContact CB-CE1 3.9Å; Q220-F230 HydrophobicContact CG-CE1 4.03Å |
| 221 | V | 87.9 | Confident | 85.9 | Confident | 75 Ų | 75 | 69.5 Ų | 69.5 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -32.4 | 178.7 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | T178 S229 V231 | T178-V221 WeakPolarHBondContact O-CG1 3.43Å; V221-S229 PolarHBondContact N-O 3.15Å; V221-V231 HydrophobicContact CG2-CB 4.13Å; V221-V231 HydrophobicContact CG2-CG2 3.57Å |
| 222 | K | 83.9 | Confident | 85.9 | Confident | 162 Ų | 162 | 65 Ų | 65 | 70% | 0.704 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 147.3 | 178.6 | -171.4 | 169.7 | -177.2 | 172.5 | 0 | 110 | Q220 G228 S229 | Q220-K222 WeakPolarHBondContact CG-O 3.29Å; K222-G228 CarbonylContact O-C 3.34Å; K222-G228 WeakPolarHBondContact O-CA 3.5Å; K222-S229 PolarHBondContact O-N 2.94Å; K222-S229 VanDerWaalsContact O-N 3.08Å |
| 223 | G | 84.6 | Confident | 85.8 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 88.6 | -173.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q220 S227 | Q220-G223 VanDerWaalsContact NE2-C 3.29Å; G223-S227 CarbonylContact C-O 3.44Å; G223-S227 WeakPolarHBondContact CA-O 3.36Å |
| 224 | K | 80.2 | Confident | 84.8 | Confident | 194 Ų | 194 | 72.4 Ų | 72.4 | 84% | 0.843 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 132.1 | -177.8 | -167.2 | 169.8 | -176.1 | 174.1 | 0 | 110.4 | S227 | K224-S227 PolarHBondContact N-O 2.98Å |
| 225 | G | 79.1 | Confident | 83.3 | Confident | 44 Ų | 44 | 73.7 Ų | 73.7 | 45% | 0.454 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | -145.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q220 S227 | Q220-G225 PolarHBondContact NE2-O 3.22Å; Q220-G225 VanDerWaalsContact OE1-N 3.16Å; Q220-G225 PolarHBondContact OE1-O 3.43Å; G225-S227 PolarHBondContact O-N 3.42Å |
| 226 | A | 75.8 | Confident | 81.2 | Confident | 40 Ų | 40 | 72.7 Ų | 72.7 | 33% | 0.331 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 13.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V182 K206 | V182-A226 WeakPolarHBondContact CG2-O 3.47Å; K206-A226 HydrophobicContact CB-CB 4.2Å; K206-A226 HydrophobicContact CG-CB 4.27Å |
| 227 | S | 80.9 | Confident | 79.1 | Confident | 86 Ų | 86 | 80.1 Ų | 80.1 | 60% | 0.601 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 119.2 | 174.4 | -174 | 0 | 0 | 0 | 0 | 110 | Q220 G223 K224 G225 | Q220-S227 PolarHBondContact NE2-O 3.21Å; G223-S227 CarbonylContact C-O 3.44Å; G223-S227 WeakPolarHBondContact CA-O 3.36Å; K224-S227 PolarHBondContact N-O 2.98Å; G225-S227 PolarHBondContact O-N 3.42Å |
| 228 | G | 86.3 | Confident | 76.9 | Confident | 17 Ų | 17 | 83.8 Ų | 83.8 | 18% | 0.175 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.9 | -167.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | S181 V182 K222 | S181-G228 WeakPolarHBondContact CA-O 3.28Å; V182-G228 PolarHBondContact N-O 3.1Å; K222-G228 CarbonylContact O-C 3.34Å; K222-G228 WeakPolarHBondContact O-CA 3.5Å |
| 229 | S | 88.5 | Confident | 74.5 | Confident | 18 Ų | 18 | 89.9 Ų | 89.9 | 13% | 0.126 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 137.1 | 167.1 | -80.1 | 0 | 0 | 0 | 0 | 110.3 | T178 G179 A180 V221 K222 | T178-S229 WeakPolarHBondContact O-CB 3.34Å; G179-S229 VanDerWaalsContact O-CB 3.27Å; G179-S229 WeakPolarHBondContact O-CB 3.48Å; G179-S229 PolarHBondContact O-OG 2.73Å; A180-S229 WeakPolarHBondContact O-CA 3.4Å; V221-S229 PolarHBondContact N-O 3.15Å; K222-S229 PolarHBondContact O-N 2.94Å; K222-S229 VanDerWaalsContact O-N 3.08Å |
| 230 | F | 90.9 | Very high | 72.2 | Confident | 1 Ų | 1 | 91 Ų | 91 | 0% | 0.004 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 142.4 | -173.5 | -57.6 | -88.7 | 0 | 0 | 0 | 111.3 | I171 G179 A180 V182 I185 L209 L213 I218 R219 Q220 | I171-F230 HydrophobicContact CD1-CB 4.14Å; I171-F230 WeakPolarHBondContact CG2-O 3.44Å; G179-F230 CarbonylContact C-O 3.59Å; G179-F230 VanDerWaalsContact CA-O 3.3Å; G179-F230 WeakPolarHBondContact CA-O 3.31Å; A180-F230 PolarHBondContact N-O 3.34Å; A180-F230 PolarHBondContact O-N 3.25Å; V182-F230 HydrophobicContact CG2-CD2 4.5Å; V182-F230 HydrophobicContact CG2-CE2 3.72Å; I185-F230 HydrophobicContact CD1-CD2 4.33Å; L209-F230 HydrophobicContact CD1-CE2 4.39Å; L209-F230 HydrophobicContact CD2-CD1 4.26Å; L209-F230 HydrophobicContact CD2-CD2 3.83Å; L209-F230 HydrophobicContact CD2-CE1 4.32Å; L209-F230 HydrophobicContact CD2-CE2 3.93Å; L209-F230 HydrophobicContact CD2-CG 4.02Å; L209-F230 HydrophobicContact CD2-CZ 4.17Å; L213-F230 HydrophobicContact CD1-CD1 4.42Å; L213-F230 HydrophobicContact CD1-CE1 3.89Å; I218-F230 HydrophobicContact CD1-CB 4.41Å; I218-F230 HydrophobicContact CD1-CD1 3.94Å; I218-F230 HydrophobicContact CD1-CG 4.32Å; I218-F230 HydrophobicContact CG1-CD1 4.49Å; R219-F230 WeakPolarHBondContact O-CA 3.42Å; Q220-F230 HydrophobicContact CB-CD1 4.09Å; Q220-F230 HydrophobicContact CB-CE1 3.9Å; Q220-F230 HydrophobicContact CG-CE1 4.03Å |
| 231 | V | 89.6 | Confident | 69.7 | Low | 54 Ų | 54 | 98.7 Ų | 98.7 | 33% | 0.327 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.9 | 173.8 | 172.5 | 0 | 0 | 0 | 0 | 108.4 | I218 R219 V221 V233 | I218-V231 CarbonylContact C-O 3.56Å; I218-V231 VanDerWaalsContact CA-O 3.31Å; I218-V231 WeakPolarHBondContact CA-O 3.4Å; R219-V231 PolarHBondContact N-O 3.27Å; R219-V231 PolarHBondContact O-N 3.16Å; V221-V231 HydrophobicContact CG2-CB 4.13Å; V221-V231 HydrophobicContact CG2-CG2 3.57Å; V231-V233 PolarHBondContact O-N 2.8Å |
| 232 | V | 89.6 | Confident | 67.5 | Low | 26 Ų | 26 | 100.9 Ų | 100.9 | 16% | 0.158 | 56% | 0.561 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.7 | 121.3 | 169.6 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | T168 I171 K172 I218 Q234 | T168-V232 HydrophobicContact CG2-CG1 4.24Å; T168-V232 HydrophobicContact CG2-CG2 3.87Å; I171-V232 HydrophobicContact CB-CG2 3.97Å; I171-V232 HydrophobicContact CG2-CG2 3.77Å; K172-V232 HydrophobicContact CG-CG2 4.27Å; I218-V232 HydrophobicContact CG2-CG2 4.25Å; V232-Q234 PolarHBondContact O-N 3.37Å |
| 233 | V | 85.1 | Confident | 65.6 | Low | 50 Ų | 50 | 102.9 Ų | 102.9 | 30% | 0.303 | 57% | 0.569 | S | S | . | * | trans | -69.6 | 103.8 | 172.1 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | V217 R219 V231 K235 | V217-V233 PolarHBondContact O-N 3Å; R219-V233 HydrophobicContact CB-CG2 3.65Å; V231-V233 PolarHBondContact O-N 2.8Å; V233-K235 PolarHBondContact O-N 2.67Å | ||
| 234 | Q | 70.1 | Confident | 63.5 | Low | 176 Ų | 176 | 107.3 Ų | 107.3 | 82% | 0.822 | 58% | 0.58 | S | S | * | * | trans | -60.3 | 106.7 | 163.5 | -71.5 | -178.3 | -15.6 | 0 | 0 | 107.4 | V232 S236 | V232-Q234 PolarHBondContact O-N 3.37Å; Q234-S236 PolarHBondContact O-N 2.65Å | ||
| 235 | K | 53.3 | Low | 61.8 | Low | 147 Ų | 147 | 109.4 Ų | 109.4 | 64% | 0.639 | 58% | 0.583 | S | S | * | * | trans | -74.7 | 74.7 | 172.1 | -69 | -174.4 | 178.9 | -179 | 0 | 108.9 | V233 | V233-K235 PolarHBondContact O-N 2.67Š| ||
| 236 | S | 42.1 | Very low | 59.9 | Low | 103 Ų | 103 | 116.7 Ų | 116.7 | 72% | 0.72 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 139.2 | 153.6 | 46.5 | 0 | 0 | 0 | 0 | 108.1 | Q234 | Q234-S236 PolarHBondContact O-N 2.65Š|
| 237 | K | 41.1 | Very low | 58.2 | Low | 193 Ų | 193 | 125 Ų | 125 | 84% | 0.839 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 134.6 | 178.4 | -64.4 | 174.4 | -179.3 | 175.4 | 0 | 108 | ||
| 238 | P | 37.9 | Very low | 55.8 | Low | 110 Ų | 110 | 124.3 Ų | 124.3 | 71% | 0.714 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 135.1 | 177.8 | 25.5 | -33.7 | 0 | 0 | 0 | 109.1 | Q240 | P238-Q240 PolarHBondContact O-N 2.81Š|
| 239 | P | 38.3 | Very low | 53.5 | Low | 130 Ų | 130 | 129.4 Ų | 129.4 | 84% | 0.844 | 67% | 0.671 | S | S | * | * | trans | -66.1 | 109.5 | -178.5 | 26.4 | -33.4 | 0 | 0 | 0 | 109.1 | K241 | P239-K241 PolarHBondContact O-N 2.85Š| ||
| 240 | Q | 42.2 | Very low | 51.2 | Low | 185 Ų | 185 | 133.2 Ų | 133.2 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | trans | -67.3 | 123.4 | 171.7 | -71.3 | -144.2 | -33.1 | 0 | 0 | 108.9 | P238 S242 | P238-Q240 PolarHBondContact O-N 2.81Å; Q240-S242 PolarHBondContact O-N 2.83Å; Q240-S242 VanDerWaalsContact O-N 3.13Å | ||
| 241 | K | 36.7 | Very low | 48.9 | Very low | 208 Ų | 208 | 140.9 Ų | 140.9 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | trans | -60.1 | 117.2 | 170.2 | -76.6 | -171.4 | 173.5 | -174.3 | 0 | 108.5 | P239 K243 | P239-K241 PolarHBondContact O-N 2.85Å; K241-K243 PolarHBondContact O-N 3.18Å; K241-K243 VanDerWaalsContact O-N 3.09Å | ||
| 242 | S | 41.9 | Very low | 46.1 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -67.8 | 101.7 | -178.4 | 38.9 | 0 | 0 | 0 | 0 | 111.3 | Q240 N244 | Q240-S242 PolarHBondContact O-N 2.83Å; Q240-S242 VanDerWaalsContact O-N 3.13Å; S242-N244 PolarHBondContact O-N 3.2Å | ||
| 243 | K | 44.2 | Very low | 44 | Very low | 204 Ų | 204 | 149.7 Ų | 149.7 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -86.1 | 102.2 | 157.2 | -168.3 | 163.5 | -174.3 | 173.1 | 0 | 108.3 | K241 R245 | K241-K243 PolarHBondContact O-N 3.18Å; K241-K243 VanDerWaalsContact O-N 3.09Å; K243-R245 PolarHBondContact O-N 3.39Å | ||
| 244 | N | 40.9 | Very low | 42 | Very low | 148 Ų | 148 | 154.4 Ų | 154.4 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -51.3 | 123.6 | -176.1 | -175.3 | 2.5 | 0 | 0 | 0 | 112.4 | S242 | S242-N244 PolarHBondContact O-N 3.2Š| ||
| 245 | R | 42.9 | Very low | 41.1 | Very low | 237 Ų | 237 | 151.3 Ų | 151.3 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | trans | -142.1 | 138.3 | 159.3 | -137.9 | 174.2 | -177.1 | -172 | -2.2 | 108.6 | K243 | K243-R245 PolarHBondContact O-N 3.39Š| ||
| 246 | K | 39.2 | Very low | 41.1 | Very low | 197 Ų | 197 | 153 Ų | 153 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 153.3 | -160.8 | -61.5 | 179.8 | 176.9 | -176.4 | 0 | 114.1 | G248 | K246-G248 PolarHBondContact O-N 3.15Š|
| 247 | K | 40.2 | Very low | 42.6 | Very low | 214 Ų | 214 | 151.9 Ų | 151.9 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 126.8 | 165.2 | -71.9 | -179 | 174.6 | -178.4 | 0 | 110.4 | ||
| 248 | G | 31.8 | Very low | 44.7 | Very low | 72 Ų | 72 | 148.2 Ų | 148.2 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -93 | 158.3 | 139.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | K246 | K246-G248 PolarHBondContact O-N 3.15Š|
| 249 | S | 36.5 | Very low | 47 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 155.6 | 175.2 | 34.3 | 0 | 0 | 0 | 0 | 111.9 | ||
| 250 | A | 41 | Very low | 49.3 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 121.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 251 | L | 41.9 | Very low | 51.5 | Low | 163 Ų | 163 | 133.6 Ų | 133.6 | 85% | 0.853 | 70% | 0.703 | S | S | * | * | trans | -112.7 | 149 | 139.3 | -70.9 | 173.1 | 0 | 0 | 0 | 106.2 | ||||
| 252 | D | 32.4 | Very low | 54 | Low | 158 Ų | 158 | 124.3 Ų | 124.3 | 85% | 0.845 | 66% | 0.664 | S | S | * | * | trans | -63.4 | 125.6 | -177.6 | -165.1 | 28.8 | 0 | 0 | 0 | 109.5 | E254 | D252-E254 PolarHBondContact O-N 3.28Š| ||
| 253 | P | 44.9 | Very low | 56.4 | Low | 106 Ų | 106 | 118.7 Ų | 118.7 | 69% | 0.688 | 62% | 0.624 | S | S | * | * | trans | -70.4 | 101.3 | -179.7 | 27.4 | -34.7 | 0 | 0 | 0 | 110 | ||||
| 254 | E | 43.8 | Very low | 58.7 | Low | 149 Ų | 149 | 109 Ų | 109 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | trans | -38.4 | 127.2 | 164.2 | -174.2 | -163.4 | -171.7 | 0 | 0 | 108.9 | D252 Q256 | D252-E254 PolarHBondContact O-N 3.28Å; E254-Q256 VanDerWaalsContact C-N 3.32Å; E254-Q256 PolarHBondContact O-N 3.2Å | ||
| 255 | P | 49.4 | Very low | 61.1 | Low | 111 Ų | 111 | 103.5 Ų | 103.5 | 72% | 0.721 | 55% | 0.553 | S | S | * | * | trans | -69.2 | 88.3 | -167.6 | 27.1 | -36 | 0 | 0 | 0 | 110.9 | V257 | P255-V257 WeakPolarHBondContact O-CA 3.09Å; P255-V257 PolarHBondContact O-N 3.16Å | ||
| 256 | Q | 55.1 | Low | 63.4 | Low | 183 Ų | 183 | 92.2 Ų | 92.2 | 86% | 0.855 | 51% | 0.51 | S | S | * | . | trans | -29.7 | 94.1 | -170.1 | -70.2 | -173.1 | -10 | 0 | 0 | 112.8 | E254 K258 | E254-Q256 VanDerWaalsContact C-N 3.32Å; E254-Q256 PolarHBondContact O-N 3.2Å; Q256-K258 PolarHBondContact O-N 3.04Å; Q256-K258 VanDerWaalsContact O-N 3.11Å | ||
| 257 | V | 72 | Confident | 66 | Low | 79 Ų | 79 | 82.8 Ų | 82.8 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | trans | -68.2 | 117.4 | -168.7 | -165.9 | 0 | 0 | 0 | 0 | 107.7 | P255 L259 V262 | P255-V257 WeakPolarHBondContact O-CA 3.09Å; P255-V257 PolarHBondContact O-N 3.16Å; V257-L259 PolarHBondContact O-N 3.39Å; V257-V262 HydrophobicContact CB-CG2 4.2Å; V257-V262 HydrophobicContact CG1-CG2 3.61Å | ||
| 258 | K | 85 | Confident | 68.4 | Low | 117 Ų | 117 | 72.8 Ų | 72.8 | 51% | 0.509 | 43% | 0.426 | S | S | . | . | trans | -66.4 | 136.1 | 178.9 | -60.7 | -178.7 | -123.6 | 60.4 | 0 | 107.6 | Q256 E260 D261 V262 | Q256-K258 PolarHBondContact O-N 3.04Å; Q256-K258 VanDerWaalsContact O-N 3.11Å; K258-E260 HydrophobicContact CB-CB 4.19Å; K258-E260 PolarHBondContact O-N 2.95Å; K258-D261 WeakPolarHBondContact CB-OD2 3.5Å; K258-D261 IonicContact NZ-OD2 3.78Å; K258-D261 PolarHBondContact NZ-OD2 3.31Å; K258-D261 WeakPolarHBondContact O-CA 3.19Å; K258-D261 PolarHBondContact O-N 2.56Å; K258-V262 PolarHBondContact O-N 2.94Å; K258-V262 VanDerWaalsContact O-N 3.16Å | ||
| 259 | L | 86.6 | Confident | 71.2 | Confident | 16 Ų | 16 | 73.5 Ų | 73.5 | 8% | 0.084 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -53.6 | -29.2 | 174.7 | -172.1 | 57.2 | 0 | 0 | 0 | 112.2 | V257 D261 V262 L263 V368 L383 L384 T387 | V257-L259 PolarHBondContact O-N 3.39Å; L259-D261 VanDerWaalsContact C-N 3.28Å; L259-D261 PolarHBondContact O-N 3.09Å; L259-V262 HydrophobicContact CD1-CB 4.35Å; L259-V262 HydrophobicContact CD1-CG1 4.47Å; L259-V262 PolarHBondContact O-N 3.03Å; L259-L263 WeakPolarHBondContact O-CG 3.32Å; L259-L263 PolarHBondContact O-N 3.45Å; L259-V368 HydrophobicContact CD1-CG1 4.31Å; L259-V368 HydrophobicContact CD1-CG2 3.76Å; L259-L383 HydrophobicContact CD2-CD2 4.47Å; L259-L383 HydrophobicContact CD2-CG 4.1Å; L259-L384 HydrophobicContact CD2-CB 3.9Å; L259-L384 HydrophobicContact CD2-CD1 4.05Å; L259-T387 HydrophobicContact CB-CG2 4.32Å; L259-T387 HydrophobicContact CG-CG2 4.2Å |
| 260 | E | 87.1 | Confident | 73.7 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 17% | 0.173 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.2 | -34.9 | 171.3 | -65.7 | 164.5 | -161.6 | 0 | 0 | 114.5 | K258 T387 K390 | K258-E260 HydrophobicContact CB-CB 4.19Å; K258-E260 PolarHBondContact O-N 2.95Å; E260-T387 HydrophobicContact CB-CG2 4.38Å; E260-T387 HydrophobicContact CG-CG2 3.68Å; E260-K390 WeakPolarHBondContact OE1-CD 3.25Å; E260-K390 WeakPolarHBondContact OE1-CE 3.39Å; E260-K390 IonicContact OE1-NZ 3.28Å; E260-K390 PolarHBondContact OE1-NZ 3.01Å; E260-K390 IonicContact OE2-NZ 3.66Å; E260-K390 PolarHBondContact OE2-NZ 3.09Å |
| 261 | D | 88.1 | Confident | 76.1 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 35% | 0.348 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -93.6 | -21.9 | -179.6 | -57.5 | -49.4 | 0 | 0 | 0 | 111.4 | K258 L259 | K258-D261 WeakPolarHBondContact CB-OD2 3.5Å; K258-D261 IonicContact NZ-OD2 3.78Å; K258-D261 PolarHBondContact NZ-OD2 3.31Å; K258-D261 WeakPolarHBondContact O-CA 3.19Å; K258-D261 PolarHBondContact O-N 2.56Å; L259-D261 VanDerWaalsContact C-N 3.28Å; L259-D261 PolarHBondContact O-N 3.09Å |
| 262 | V | 89.2 | Confident | 78.2 | Confident | 13 Ų | 13 | 62.5 Ų | 62.5 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -74.3 | -40.8 | 173.2 | 174.2 | 0 | 0 | 0 | 0 | 112.5 | V257 K258 L259 L265 A266 Y367 H372 | V257-V262 HydrophobicContact CB-CG2 4.2Å; V257-V262 HydrophobicContact CG1-CG2 3.61Å; K258-V262 PolarHBondContact O-N 2.94Å; K258-V262 VanDerWaalsContact O-N 3.16Å; L259-V262 HydrophobicContact CD1-CB 4.35Å; L259-V262 HydrophobicContact CD1-CG1 4.47Å; L259-V262 PolarHBondContact O-N 3.03Å; V262-L265 WeakPolarHBondContact O-CB 3.43Å; V262-L265 PolarHBondContact O-N 2.93Å; V262-A266 PolarHBondContact O-N 3.07Å; V262-A266 VanDerWaalsContact O-N 3.12Å; V262-Y367 HydrophobicContact CG1-CE1 4.13Å; V262-H372 VanDerWaalsContact CG1-NE2 3.29Å; V262-H372 WeakPolarHBondContact CG1-NE2 3.41Å |
| 263 | L | 91.8 | Very high | 80.8 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -48.8 | -45.6 | -170.9 | -82.1 | 177.3 | 0 | 0 | 0 | 114.6 | L259 L265 A266 F267 L364 L384 T387 L388 L397 | L259-L263 WeakPolarHBondContact O-CG 3.32Å; L259-L263 PolarHBondContact O-N 3.45Å; L263-L265 VanDerWaalsContact C-N 3.26Å; L263-L265 PolarHBondContact O-N 2.86Å; L263-A266 WeakPolarHBondContact O-CB 3.17Å; L263-A266 PolarHBondContact O-N 3.25Å; L263-A266 VanDerWaalsContact O-N 3.09Å; L263-F267 HydrophobicContact CD2-CE2 4.22Å; L263-F267 VanDerWaalsContact O-CD2 3.26Å; L263-F267 WeakPolarHBondContact O-CD2 3.31Å; L263-F267 PolarHBondContact O-N 3.44Å; L263-L364 HydrophobicContact CD2-CD2 3.98Å; L263-L384 HydrophobicContact CD2-CD1 4Å; L263-T387 HydrophobicContact CD1-CG2 3.61Å; L263-T387 HydrophobicContact CG-CG2 4.44Å; L263-L388 HydrophobicContact CD1-CD2 3.68Å; L263-L388 HydrophobicContact CD2-CD2 4.16Å; L263-L397 HydrophobicContact CD1-CD2 4.35Å |
| 264 | P | 92.3 | Very high | 83 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59 | -36.8 | -179.4 | -22.7 | 34.3 | 0 | 0 | 0 | 113.1 | W138 T268 L411 Y415 | W138-P264 HydrophobicContact CB-CG 4.29Å; W138-P264 HydrophobicContact CD2-CB 3.99Å; W138-P264 HydrophobicContact CD2-CG 3.29Å; W138-P264 HydrophobicContact CE3-CB 3.98Å; W138-P264 HydrophobicContact CE3-CG 3.78Å; W138-P264 HydrophobicContact CG-CB 4.36Å; W138-P264 HydrophobicContact CG-CG 3.53Å; W138-P264 HydrophobicContact CH2-CG 4.27Å; W138-P264 HydrophobicContact CZ2-CG 3.82Å; W138-P264 HydrophobicContact CZ3-CB 4.35Å; W138-P264 HydrophobicContact CZ3-CG 4.25Å; P264-T268 WeakPolarHBondContact O-CB 3.12Å; P264-T268 PolarHBondContact O-N 3.29Å; P264-T268 PolarHBondContact O-OG1 3.03Å; P264-L411 HydrophobicContact CB-CD1 4.28Å; P264-Y415 VanDerWaalsContact C-CE1 3.44Å; P264-Y415 HydrophobicContact CB-CD1 3.42Å; P264-Y415 VanDerWaalsContact CB-CD1 3.42Å; P264-Y415 HydrophobicContact CB-CD2 4.11Å; P264-Y415 HydrophobicContact CB-CE1 3.55Å; P264-Y415 HydrophobicContact CB-CE2 4.2Å; P264-Y415 HydrophobicContact CB-CG 3.72Å; P264-Y415 WeakPolarHBondContact O-CD1 3.48Å |
| 265 | L | 92 | Very high | 85.2 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.3 | -43.9 | 174.9 | -175 | 58.2 | 0 | 0 | 0 | 111 | V262 L263 F267 T268 R269 Y415 V421 L422 | V262-L265 WeakPolarHBondContact O-CB 3.43Å; V262-L265 PolarHBondContact O-N 2.93Å; L263-L265 VanDerWaalsContact C-N 3.26Å; L263-L265 PolarHBondContact O-N 2.86Å; L265-F267 PolarHBondContact O-N 2.87Å; L265-T268 WeakPolarHBondContact O-CB 3.3Å; L265-T268 PolarHBondContact O-N 3.46Å; L265-R269 WeakPolarHBondContact O-CG 3.42Å; L265-R269 PolarHBondContact O-N 2.98Å; L265-Y415 HydrophobicContact CB-CE1 4.42Å; L265-V421 HydrophobicContact CD1-CG1 4.19Å; L265-V421 HydrophobicContact CD2-CG1 4.1Å; L265-L422 HydrophobicContact CD1-CD2 4Å |
| 266 | A | 91.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.5 | -45.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | V262 L263 T268 R269 L270 L364 Y367 | V262-A266 PolarHBondContact O-N 3.07Å; V262-A266 VanDerWaalsContact O-N 3.12Å; L263-A266 WeakPolarHBondContact O-CB 3.17Å; L263-A266 PolarHBondContact O-N 3.25Å; L263-A266 VanDerWaalsContact O-N 3.09Å; A266-T268 VanDerWaalsContact C-N 3.31Å; A266-T268 PolarHBondContact O-N 2.81Å; A266-R269 WeakPolarHBondContact O-CB 3.23Å; A266-R269 PolarHBondContact O-N 3.2Å; A266-L270 HydrophobicContact CB-CD1 4.38Å; A266-L270 VanDerWaalsContact O-CB 3.31Å; A266-L270 WeakPolarHBondContact O-CB 3.18Å; A266-L270 WeakPolarHBondContact O-CD1 3.27Å; A266-L270 WeakPolarHBondContact O-CG 3.08Å; A266-L270 PolarHBondContact O-N 2.84Å; A266-L364 HydrophobicContact CB-CD2 4.14Å; A266-Y367 HydrophobicContact CB-CD1 3.58Å; A266-Y367 HydrophobicContact CB-CE1 3.49Å; A266-Y367 VanDerWaalsContact CB-CE1 3.49Å; A266-Y367 HydrophobicContact CB-CE2 4.46Å; A266-Y367 HydrophobicContact CB-CG 4.14Å |
| 267 | F | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.7 | -40.2 | 172.9 | -88.4 | -107.8 | 0 | 0 | 0 | 112.1 | L263 L265 R269 L270 C271 K357 C359 L364 L397 F409 L411 | L263-F267 HydrophobicContact CD2-CE2 4.22Å; L263-F267 VanDerWaalsContact O-CD2 3.26Å; L263-F267 WeakPolarHBondContact O-CD2 3.31Å; L263-F267 PolarHBondContact O-N 3.44Å; L265-F267 PolarHBondContact O-N 2.87Å; F267-R269 VanDerWaalsContact C-N 3.35Å; F267-R269 PolarHBondContact O-N 2.93Å; F267-L270 PolarHBondContact O-N 2.94Å; F267-C271 WeakPolarHBondContact O-CB 3.49Å; F267-C271 PolarHBondContact O-N 2.83Å; F267-K357 WeakPolarHBondContact CD1-O 3.45Å; F267-C359 HydrophobicContact CD1-CB 3.6Å; F267-C359 HydrophobicContact CD2-CB 4.38Å; F267-C359 HydrophobicContact CE1-CB 3.7Å; F267-C359 HydrophobicContact CE2-CB 4.47Å; F267-C359 HydrophobicContact CG-CB 4Å; F267-C359 HydrophobicContact CZ-CB 4.16Å; F267-L364 HydrophobicContact CD2-CD2 3.87Å; F267-L364 HydrophobicContact CE2-CD1 3.76Å; F267-L364 HydrophobicContact CE2-CD2 3.82Å; F267-L364 HydrophobicContact CE2-CG 4.4Å; F267-L364 HydrophobicContact CZ-CD1 4.06Å; F267-L397 HydrophobicContact CE2-CD2 3.82Å; F267-L397 HydrophobicContact CZ-CD2 3.62Å; F267-L397 HydrophobicContact CZ-CG 4.13Å; F267-F409 HydrophobicContact CE1-CB 4.13Å; F267-F409 WeakPolarHBondContact CE1-O 3.21Å; F267-F409 HydrophobicContact CZ-CB 3.71Å; F267-L411 HydrophobicContact CB-CD1 3.99Å; F267-L411 HydrophobicContact CB-CD2 4.15Å; F267-L411 HydrophobicContact CB-CG 4.04Å; F267-L411 HydrophobicContact CD1-CD2 3.84Å; F267-L411 HydrophobicContact CD1-CG 3.81Å; F267-L411 HydrophobicContact CD2-CD2 3.92Å; F267-L411 HydrophobicContact CE1-CD2 4.11Å; F267-L411 HydrophobicContact CE1-CG 4.36Å; F267-L411 HydrophobicContact CE2-CD2 4.19Å; F267-L411 HydrophobicContact CG-CD1 4.41Å; F267-L411 HydrophobicContact CG-CD2 3.71Å; F267-L411 HydrophobicContact CG-CG 3.93Å; F267-L411 HydrophobicContact CZ-CD2 4.27Å |
| 268 | T | 92 | Very high | 90.1 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67 | -36.6 | 178.3 | -52.7 | 0 | 0 | 0 | 0 | 112.1 | P264 L265 A266 K274 A351 K357 Y415 P417 L422 | P264-T268 WeakPolarHBondContact O-CB 3.12Å; P264-T268 PolarHBondContact O-N 3.29Å; P264-T268 PolarHBondContact O-OG1 3.03Å; L265-T268 WeakPolarHBondContact O-CB 3.3Å; L265-T268 PolarHBondContact O-N 3.46Å; A266-T268 VanDerWaalsContact C-N 3.31Å; A266-T268 PolarHBondContact O-N 2.81Å; T268-K274 PolarHBondContact O-NZ 2.77Å; T268-K274 VanDerWaalsContact O-NZ 3.13Å; T268-A351 WeakPolarHBondContact CG2-O 3.31Å; T268-K357 WeakPolarHBondContact OG1-CD 3.48Å; T268-K357 VanDerWaalsContact OG1-CE 3.25Å; T268-K357 WeakPolarHBondContact OG1-CE 3.34Å; T268-Y415 WeakPolarHBondContact OG1-CD1 3.34Å; T268-P417 HydrophobicContact CG2-CG 4.07Å; T268-L422 HydrophobicContact CG2-CD2 3.77Å |
| 269 | R | 89.6 | Confident | 90.4 | Very high | 87 Ų | 87 | 33.4 Ų | 33.4 | 33% | 0.328 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.7 | -49.7 | 172.5 | -68.2 | -70 | -162.3 | -156.3 | -4.4 | 112.4 | L265 A266 F267 K274 Y367 L422 | L265-R269 WeakPolarHBondContact O-CG 3.42Å; L265-R269 PolarHBondContact O-N 2.98Å; A266-R269 WeakPolarHBondContact O-CB 3.23Å; A266-R269 PolarHBondContact O-N 3.2Å; F267-R269 VanDerWaalsContact C-N 3.35Å; F267-R269 PolarHBondContact O-N 2.93Å; R269-K274 PolarHBondContact O-NZ 3.18Å; R269-Y367 HydrophobicContact CB-CE2 4.04Å; R269-Y367 HydrophobicContact CG-CE2 3.91Å; R269-L422 PolarHBondContact NH1-O 2.95Å; R269-L422 PolarHBondContact NH2-O 3.05Å |
| 270 | L | 89.6 | Confident | 90.7 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 23% | 0.23 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -94.8 | -11.6 | -166 | -58.7 | 165.5 | 0 | 0 | 0 | 114.6 | A266 F267 E272 C359 A363 L364 Y367 | A266-L270 HydrophobicContact CB-CD1 4.38Å; A266-L270 VanDerWaalsContact O-CB 3.31Å; A266-L270 WeakPolarHBondContact O-CB 3.18Å; A266-L270 WeakPolarHBondContact O-CD1 3.27Å; A266-L270 WeakPolarHBondContact O-CG 3.08Å; A266-L270 PolarHBondContact O-N 2.84Å; F267-L270 PolarHBondContact O-N 2.94Å; L270-E272 PolarHBondContact O-N 3.25Å; L270-C359 VanDerWaalsContact CB-SG 3.5Å; L270-A363 HydrophobicContact CB-CB 4.36Å; L270-A363 HydrophobicContact CD1-CB 4.18Å; L270-A363 HydrophobicContact CD2-CB 4.32Å; L270-L364 HydrophobicContact CD1-CD2 4.01Å; L270-Y367 HydrophobicContact CD1-CD2 4.15Å; L270-Y367 HydrophobicContact CD1-CG 3.97Å; L270-Y367 HydrophobicContact CD2-CD2 4.13Å; L270-Y367 HydrophobicContact CG-CD2 4.16Å; L270-Y367 HydrophobicContact CG-CG 4.49Å |
| 271 | C | 90.1 | Very high | 91 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | trans | -67.1 | 129.4 | 177.2 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | F267 K274 N354 P356 T358 | F267-C271 WeakPolarHBondContact O-CB 3.49Å; F267-C271 PolarHBondContact O-N 2.83Å; C271-K274 WeakPolarHBondContact O-CG 3.46Å; C271-K274 PolarHBondContact O-NZ 2.89Å; C271-N354 PolarHBondContact SG-ND2 3.23Å; C271-N354 VanDerWaalsContact SG-ND2 3.39Å; C271-P356 PolarHBondContact SG-O 2.86Å; C271-T358 VanDerWaalsContact CA-O 3.31Å; C271-T358 WeakPolarHBondContact CA-O 3.32Å; C271-T358 VanDerWaalsContact CB-O 3.23Å; C271-T358 WeakPolarHBondContact CB-O 3.38Å; C271-T358 PolarHBondContact SG-N 3.2Å; C271-T358 VanDerWaalsContact SG-N 3.39Å; C271-T358 PolarHBondContact SG-O 2.95Å; C271-T358 VanDerWaalsContact SG-O 3.4Å | ||
| 272 | E | 86.6 | Confident | 91.3 | Very high | 108 Ų | 108 | 33.1 Ų | 33.1 | 51% | 0.505 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -137.6 | 135.8 | 179.1 | -61.8 | -176.5 | -175.8 | 0 | 0 | 107.5 | L270 K330 | L270-E272 PolarHBondContact O-N 3.25Å; E272-K330 WeakPolarHBondContact OE1-CE 3.45Å; E272-K330 IonicContact OE1-NZ 3.24Å; E272-K330 PolarHBondContact OE1-NZ 2.82Å; E272-K330 IonicContact OE2-NZ 3.06Å; E272-K330 PolarHBondContact OE2-NZ 3.18Å |
| 273 | P | 87.6 | Confident | 91.5 | Very high | 69 Ų | 69 | 38.1 Ų | 38.1 | 45% | 0.448 | 19% | 0.189 | S | C | . | . | S | Bend | cis | -65.9 | 173 | -1 | 30.7 | -37.2 | 0 | 0 | 0 | 113.5 | E275 Q327 N354 | P273-E275 HydrophobicContact CB-CG 4.25Å; P273-E275 WeakPolarHBondContact CB-OE1 3.38Å; P273-E275 HydrophobicContact CG-CG 4.45Å; P273-E275 WeakPolarHBondContact CG-OE1 3.42Å; P273-Q327 HydrophobicContact CB-CG 4.3Å; P273-Q327 VanDerWaalsContact CB-NE2 3.32Å; P273-N354 PolarHBondContact O-ND2 3.24Å |
| 274 | K | 90.1 | Very high | 91.6 | Very high | 35 Ų | 35 | 38.1 Ų | 38.1 | 15% | 0.152 | 19% | 0.189 | C | C | . | . | trans | -115.5 | 99.2 | 175.4 | -69 | -163.5 | -169.8 | -53.8 | 0 | 109.8 | T268 R269 C271 Q327 L328 I350 | T268-K274 PolarHBondContact O-NZ 2.77Å; T268-K274 VanDerWaalsContact O-NZ 3.13Å; R269-K274 PolarHBondContact O-NZ 3.18Å; C271-K274 WeakPolarHBondContact O-CG 3.46Å; C271-K274 PolarHBondContact O-NZ 2.89Å; K274-Q327 WeakPolarHBondContact O-CA 3.31Å; K274-L328 HydrophobicContact CB-CB 4.18Å; K274-L328 HydrophobicContact CD-CD2 4.32Å; K274-L328 PolarHBondContact O-N 2.99Å; K274-I350 HydrophobicContact CB-CG2 4.22Å; K274-I350 WeakPolarHBondContact O-CG2 3.17Å | ||
| 275 | E | 91.5 | Very high | 91.6 | Very high | 51 Ų | 51 | 38.1 Ų | 38.1 | 24% | 0.238 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.6 | -171 | -70.6 | 170.6 | -152.6 | 0 | 0 | 111.3 | P273 I317 T325 F326 Q327 N354 | P273-E275 HydrophobicContact CB-CG 4.25Å; P273-E275 WeakPolarHBondContact CB-OE1 3.38Å; P273-E275 HydrophobicContact CG-CG 4.45Å; P273-E275 WeakPolarHBondContact CG-OE1 3.42Å; E275-I317 HydrophobicContact CG-CD1 4.01Å; E275-I317 VanDerWaalsContact OE1-CD1 3.23Å; E275-I317 WeakPolarHBondContact OE1-CD1 3.4Å; E275-T325 HydrophobicContact CB-CG2 4.21Å; E275-F326 WeakPolarHBondContact CA-O 3.19Å; E275-Q327 HydrophobicContact CG-CB 3.75Å; E275-Q327 HydrophobicContact CG-CG 3.69Å; E275-Q327 PolarHBondContact OE1-NE2 2.61Å; E275-N354 PolarHBondContact N-OD1 3.03Å; E275-N354 VanDerWaalsContact O-CA 3.26Å; E275-N354 WeakPolarHBondContact O-CA 3.45Å; E275-N354 PolarHBondContact O-OD1 3.4Å |
| 276 | A | 92.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 146 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I281 F326 I350 M353 | A276-I281 HydrophobicContact CB-CD1 4.12Å; A276-I281 HydrophobicContact CB-CG1 3.73Å; A276-F326 PolarHBondContact N-O 3.27Å; A276-F326 PolarHBondContact O-N 3.14Å; A276-I350 HydrophobicContact CB-CB 4.43Å; A276-I350 HydrophobicContact CB-CG1 4.14Å; A276-M353 HydrophobicContact CB-CB 4.26Å |
| 277 | S | 92.6 | Very high | 91.7 | Very high | 32 Ų | 32 | 44 Ų | 44 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 151.5 | 170.9 | 72.8 | 0 | 0 | 0 | 0 | 111.6 | S279 L280 I281 G324 | S277-S279 PolarHBondContact O-N 2.96Å; S277-S279 PolarHBondContact OG-OG 2.93Å; S277-L280 PolarHBondContact O-N 3.11Å; S277-I281 WeakPolarHBondContact O-CG1 3.48Å; S277-I281 PolarHBondContact O-N 2.69Å; S277-G324 CarbonylContact C-O 3.31Å; S277-G324 WeakPolarHBondContact CA-O 3.42Å |
| 278 | Y | 93.1 | Very high | 91.7 | Very high | 28 Ų | 28 | 47.4 Ų | 47.4 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -45.9 | -38.1 | 174.6 | 177.5 | -93.6 | 0 | 0 | 0 | 112.8 | L280 I281 R282 P298 L301 K302 L305 G324 | Y278-L280 PolarHBondContact O-N 2.83Å; Y278-I281 PolarHBondContact O-N 3.09Å; Y278-R282 VanDerWaalsContact O-CB 3.31Å; Y278-R282 WeakPolarHBondContact O-CB 3.49Å; Y278-R282 PolarHBondContact O-N 2.69Å; Y278-P298 WeakPolarHBondContact OH-CB 3.48Å; Y278-P298 PolarHBondContact OH-O 3.43Å; Y278-L301 HydrophobicContact CD2-CD2 4.15Å; Y278-L301 HydrophobicContact CD2-CG 4.38Å; Y278-L301 HydrophobicContact CE2-CB 4.48Å; Y278-L301 HydrophobicContact CE2-CD2 3.63Å; Y278-L301 HydrophobicContact CE2-CG 3.78Å; Y278-K302 HydrophobicContact CE2-CG 3.59Å; Y278-L305 HydrophobicContact CD2-CD1 3.62Å; Y278-L305 HydrophobicContact CE2-CD1 4.13Å; Y278-G324 PolarHBondContact N-O 2.94Å |
| 279 | S | 92.4 | Very high | 91.7 | Very high | 72 Ų | 72 | 48.5 Ų | 48.5 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.3 | -33.4 | 179.8 | 75 | 0 | 0 | 0 | 0 | 113.8 | S277 K283 | S277-S279 PolarHBondContact O-N 2.96Å; S277-S279 PolarHBondContact OG-OG 2.93Å; S279-K283 WeakPolarHBondContact O-CB 3.34Å; S279-K283 PolarHBondContact O-N 3.25Å |
| 280 | L | 92.1 | Very high | 91.6 | Very high | 36 Ų | 36 | 48.7 Ų | 48.7 | 19% | 0.188 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -79.8 | -40.6 | 175.5 | -61.6 | 179.2 | 0 | 0 | 0 | 110.7 | S277 Y278 K283 Y284 M353 | S277-L280 PolarHBondContact O-N 3.11Å; Y278-L280 PolarHBondContact O-N 2.83Å; L280-K283 PolarHBondContact O-N 3.01Å; L280-Y284 PolarHBondContact O-N 3.03Å; L280-M353 HydrophobicContact CB-CB 3.91Å; L280-M353 HydrophobicContact CB-CE 3.99Å; L280-M353 HydrophobicContact CB-CG 4.23Å; L280-M353 HydrophobicContact CD1-CB 4.46Å; L280-M353 HydrophobicContact CD2-CE 3.87Å; L280-M353 HydrophobicContact CG-CE 4.41Å |
| 281 | I | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -52.9 | 175.4 | -62.5 | 169.7 | 0 | 0 | 0 | 110.2 | A276 S277 Y278 K283 Y284 V285 L301 L305 F326 I346 A349 I350 | A276-I281 HydrophobicContact CB-CD1 4.12Å; A276-I281 HydrophobicContact CB-CG1 3.73Å; S277-I281 WeakPolarHBondContact O-CG1 3.48Å; S277-I281 PolarHBondContact O-N 2.69Å; Y278-I281 PolarHBondContact O-N 3.09Å; I281-K283 VanDerWaalsContact C-N 3.31Å; I281-K283 PolarHBondContact O-N 2.7Å; I281-Y284 PolarHBondContact O-N 2.89Å; I281-V285 HydrophobicContact CG2-CG2 4.24Å; I281-V285 WeakPolarHBondContact O-CG2 3.43Å; I281-V285 PolarHBondContact O-N 3.46Å; I281-L301 HydrophobicContact CG2-CD1 3.75Å; I281-L301 HydrophobicContact CG2-CD2 4.15Å; I281-L305 HydrophobicContact CD1-CD2 4.22Å; I281-F326 HydrophobicContact CD1-CD2 4.16Å; I281-I346 HydrophobicContact CG2-CG1 4.37Å; I281-A349 HydrophobicContact CB-CB 4.3Å; I281-A349 HydrophobicContact CG1-CB 4.35Å; I281-A349 HydrophobicContact CG2-CB 3.96Å; I281-I350 HydrophobicContact CD1-CD1 4.26Å; I281-I350 HydrophobicContact CD1-CG1 3.81Å; I281-I350 HydrophobicContact CG1-CG1 4.14Å |
| 282 | R | 93.6 | Very high | 91.5 | Very high | 77 Ų | 77 | 56.7 Ų | 56.7 | 29% | 0.291 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -54.6 | -45.4 | 176.7 | 178.6 | 171.6 | 175.7 | 177.7 | 2.8 | 112 | Y278 V285 S286 V294 D295 L301 | Y278-R282 VanDerWaalsContact O-CB 3.31Å; Y278-R282 WeakPolarHBondContact O-CB 3.49Å; Y278-R282 PolarHBondContact O-N 2.69Å; R282-V285 PolarHBondContact O-N 2.68Å; R282-S286 WeakPolarHBondContact O-CB 3.26Å; R282-S286 PolarHBondContact O-N 3.43Å; R282-V294 HydrophobicContact CG-CG1 4.11Å; R282-D295 IonicContact CZ-OD1 2.66Å; R282-D295 IonicContact NE-OD1 3.94Å; R282-D295 PolarHBondContact NE-OD1 2.9Å; R282-D295 PolarHBondContact NH2-O 2.93Å; R282-D295 VanDerWaalsContact NH2-O 3.09Å; R282-D295 IonicContact NH2-OD1 2.74Å; R282-L301 HydrophobicContact CB-CD2 3.79Å; R282-L301 HydrophobicContact CG-CD2 4.47Å |
| 283 | K | 93.2 | Very high | 91.5 | Very high | 117 Ų | 117 | 59.2 Ų | 59.2 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62 | -43 | 179.7 | -175.5 | -173.2 | -61.8 | 167.3 | 0 | 112.4 | S279 L280 I281 Q287 | S279-K283 WeakPolarHBondContact O-CB 3.34Å; S279-K283 PolarHBondContact O-N 3.25Å; L280-K283 PolarHBondContact O-N 3.01Å; I281-K283 VanDerWaalsContact C-N 3.31Å; I281-K283 PolarHBondContact O-N 2.7Å; K283-Q287 WeakPolarHBondContact O-CB 3.37Å; K283-Q287 PolarHBondContact O-N 3.09Å |
| 284 | Y | 94 | Very high | 91.5 | Very high | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.1 | -44.8 | 178.3 | -173 | -90.1 | 0 | 0 | 0 | 112.2 | L280 I281 Q287 Y288 Y289 A349 A352 M353 P417 P419 | L280-Y284 PolarHBondContact O-N 3.03Å; I281-Y284 PolarHBondContact O-N 2.89Å; Y284-Q287 PolarHBondContact O-N 3.12Å; Y284-Y288 HydrophobicContact CD1-CD2 4.12Å; Y284-Y288 AromaticContact CD2-CD2 3.57Å; Y284-Y288 HydrophobicContact CD2-CD2 3.57Å; Y284-Y288 AromaticContact CD2-CE2 3.61Å; Y284-Y288 HydrophobicContact CD2-CE2 3.61Å; Y284-Y288 HydrophobicContact CE1-CD2 4Å; Y284-Y288 AromaticContact CE2-CD2 3.38Å; Y284-Y288 HydrophobicContact CE2-CD2 3.38Å; Y284-Y288 AromaticContact CE2-CE2 3.34Å; Y284-Y288 HydrophobicContact CE2-CE2 3.34Å; Y284-Y288 HydrophobicContact CE2-CG 4.5Å; Y284-Y288 AromaticContact CG-CD2 3.95Å; Y284-Y288 HydrophobicContact CG-CD2 3.95Å; Y284-Y288 HydrophobicContact CG-CE2 4.42Å; Y284-Y288 AromaticContact CZ-CD2 3.65Å; Y284-Y288 WeakPolarHBondContact O-CD2 3.44Å; Y284-Y288 PolarHBondContact O-N 2.84Å; Y284-Y289 HydrophobicContact CD1-CE2 4.49Å; Y284-Y289 HydrophobicContact CE1-CE2 4.07Å; Y284-A349 HydrophobicContact CD1-CB 3.5Å; Y284-A349 HydrophobicContact CE1-CB 4.3Å; Y284-A349 HydrophobicContact CG-CB 3.91Å; Y284-A352 HydrophobicContact CD2-CB 3.66Å; Y284-A352 HydrophobicContact CE1-CB 4.37Å; Y284-A352 HydrophobicContact CE2-CB 3.15Å; Y284-A352 HydrophobicContact CG-CB 4.44Å; Y284-M353 HydrophobicContact CD2-CG 4.07Å; Y284-M353 HydrophobicContact CD2-SD 3.72Å; Y284-M353 HydrophobicContact CG-CG 4.18Å; Y284-M353 HydrophobicContact CG-SD 4.28Å; Y284-P417 VanDerWaalsContact CE2-O 3.3Å; Y284-P417 WeakPolarHBondContact CE2-O 3.46Å; Y284-P417 PolarHBondContact OH-O 3.46Å; Y284-P419 HydrophobicContact CE1-CG 4.06Å; Y284-P419 WeakPolarHBondContact OH-CD 3.36Å; Y284-P419 WeakPolarHBondContact OH-CG 3.35Å; Y284-P419 VanDerWaalsContact OH-N 3.17Å |
| 285 | V | 93.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 179.5 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | I281 R282 Y289 L292 V294 M342 A345 A349 | I281-V285 HydrophobicContact CG2-CG2 4.24Å; I281-V285 WeakPolarHBondContact O-CG2 3.43Å; I281-V285 PolarHBondContact O-N 3.46Å; R282-V285 PolarHBondContact O-N 2.68Å; V285-Y289 CarbonylContact O-C 3.32Å; V285-Y289 VanDerWaalsContact O-CA 3.31Å; V285-Y289 WeakPolarHBondContact O-CA 3.41Å; V285-Y289 WeakPolarHBondContact O-CB 3.33Å; V285-Y289 PolarHBondContact O-N 2.89Å; V285-L292 HydrophobicContact CG1-CB 4.37Å; V285-L292 HydrophobicContact CG1-CD1 3.72Å; V285-V294 HydrophobicContact CB-CG2 4.49Å; V285-V294 HydrophobicContact CG1-CB 4.48Å; V285-V294 HydrophobicContact CG1-CG2 3.62Å; V285-M342 HydrophobicContact CG1-CE 4.19Å; V285-A345 HydrophobicContact CG1-CB 4.15Å; V285-A345 HydrophobicContact CG2-CB 4.08Å; V285-A349 HydrophobicContact CG2-CB 4.13Å |
| 286 | S | 93.2 | Very high | 91.2 | Very high | 41 Ų | 41 | 62 Ų | 62 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -53 | -52.6 | 168.1 | 170 | 0 | 0 | 0 | 0 | 112.2 | R282 D295 | R282-S286 WeakPolarHBondContact O-CB 3.26Å; R282-S286 PolarHBondContact O-N 3.43Å; S286-D295 WeakPolarHBondContact CB-OD2 3.34Å; S286-D295 PolarHBondContact OG-OD2 3.15Å |
| 287 | Q | 91.9 | Very high | 91 | Very high | 116 Ų | 116 | 68.6 Ų | 68.6 | 54% | 0.542 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.4 | -37.8 | -173.6 | -177.9 | 177.5 | -26 | 0 | 0 | 113.9 | K283 Y284 | K283-Q287 WeakPolarHBondContact O-CB 3.37Å; K283-Q287 PolarHBondContact O-N 3.09Å; Y284-Q287 PolarHBondContact O-N 3.12Å |
| 288 | Y | 91.9 | Very high | 90.8 | Very high | 71 Ų | 71 | 68.6 Ų | 68.6 | 28% | 0.278 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -111.3 | -16.1 | -171.3 | -66.1 | -69.4 | 0 | 0 | 0 | 115.1 | Y284 P290 P419 | Y284-Y288 HydrophobicContact CD1-CD2 4.12Å; Y284-Y288 AromaticContact CD2-CD2 3.57Å; Y284-Y288 HydrophobicContact CD2-CD2 3.57Å; Y284-Y288 AromaticContact CD2-CE2 3.61Å; Y284-Y288 HydrophobicContact CD2-CE2 3.61Å; Y284-Y288 HydrophobicContact CE1-CD2 4Å; Y284-Y288 AromaticContact CE2-CD2 3.38Å; Y284-Y288 HydrophobicContact CE2-CD2 3.38Å; Y284-Y288 AromaticContact CE2-CE2 3.34Å; Y284-Y288 HydrophobicContact CE2-CE2 3.34Å; Y284-Y288 HydrophobicContact CE2-CG 4.5Å; Y284-Y288 AromaticContact CG-CD2 3.95Å; Y284-Y288 HydrophobicContact CG-CD2 3.95Å; Y284-Y288 HydrophobicContact CG-CE2 4.42Å; Y284-Y288 AromaticContact CZ-CD2 3.65Å; Y284-Y288 WeakPolarHBondContact O-CD2 3.44Å; Y284-Y288 PolarHBondContact O-N 2.84Å; Y288-P290 VanDerWaalsContact C-CD 3.41Å; Y288-P419 HydrophobicContact CG-CG 4.15Å |
| 289 | Y | 91.7 | Very high | 90.7 | Very high | 25 Ų | 25 | 72.7 Ų | 72.7 | 10% | 0.098 | 35% | 0.346 | C | S | . | . | trans | -128.6 | 59.1 | 179.7 | -58.6 | -100.9 | 0 | 0 | 0 | 111.6 | Y284 V285 K291 L292 Y344 A345 S348 P419 | Y284-Y289 HydrophobicContact CD1-CE2 4.49Å; Y284-Y289 HydrophobicContact CE1-CE2 4.07Å; V285-Y289 CarbonylContact O-C 3.32Å; V285-Y289 VanDerWaalsContact O-CA 3.31Å; V285-Y289 WeakPolarHBondContact O-CA 3.41Å; V285-Y289 WeakPolarHBondContact O-CB 3.33Å; V285-Y289 PolarHBondContact O-N 2.89Å; Y289-K291 PolarHBondContact O-N 3.42Å; Y289-L292 HydrophobicContact CD1-CD1 4.41Å; Y289-L292 HydrophobicContact CG-CD1 4.26Å; Y289-L292 WeakPolarHBondContact O-CB 3.35Å; Y289-L292 PolarHBondContact O-N 3.08Å; Y289-Y344 HydrophobicContact CE1-CD1 4.19Å; Y289-Y344 HydrophobicContact CE1-CE1 4.47Å; Y289-Y344 WeakPolarHBondContact OH-CE1 3.4Å; Y289-A345 HydrophobicContact CD1-CB 3.84Å; Y289-A345 HydrophobicContact CD2-CB 3.74Å; Y289-A345 HydrophobicContact CE1-CB 3.82Å; Y289-A345 HydrophobicContact CE2-CB 3.72Å; Y289-A345 HydrophobicContact CG-CB 3.8Å; Y289-S348 WeakPolarHBondContact OH-CB 3.06Å; Y289-S348 PolarHBondContact OH-OG 3.13Å; Y289-S348 VanDerWaalsContact OH-OG 3.09Å; Y289-P419 HydrophobicContact CD2-CG 4.45Å; Y289-P419 HydrophobicContact CE2-CB 4.37Å; Y289-P419 HydrophobicContact CE2-CG 3.51Å; Y289-P419 WeakPolarHBondContact OH-CB 3.47Å; Y289-P419 WeakPolarHBondContact OH-CG 3.37Å | ||
| 290 | P | 88.8 | Confident | 90.6 | Very high | 91 Ų | 91 | 72.8 Ų | 72.8 | 59% | 0.591 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -57.8 | -25 | -179.7 | 24.5 | -34.9 | 0 | 0 | 0 | 113.2 | Y288 L292 R293 | Y288-P290 VanDerWaalsContact C-CD 3.41Å; P290-L292 PolarHBondContact O-N 3.03Å; P290-R293 PolarHBondContact O-N 3.19Å |
| 291 | K | 88.5 | Confident | 90.6 | Very high | 187 Ų | 187 | 71 Ų | 71 | 81% | 0.813 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -52.6 | -34.9 | 171.3 | -68.5 | -165.2 | 175.9 | -166.5 | 0 | 112.9 | Y289 R293 | Y289-K291 PolarHBondContact O-N 3.42Å; K291-R293 VanDerWaalsContact C-N 3.29Å; K291-R293 PolarHBondContact O-N 2.91Å |
| 292 | L | 88.3 | Confident | 90.6 | Very high | 28 Ų | 28 | 74.3 Ų | 74.3 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -76.5 | -10.6 | -179.1 | -67.9 | 171.7 | 0 | 0 | 0 | 113.9 | V285 Y289 P290 V294 L341 M342 A345 | V285-L292 HydrophobicContact CG1-CB 4.37Å; V285-L292 HydrophobicContact CG1-CD1 3.72Å; Y289-L292 HydrophobicContact CD1-CD1 4.41Å; Y289-L292 HydrophobicContact CG-CD1 4.26Å; Y289-L292 WeakPolarHBondContact O-CB 3.35Å; Y289-L292 PolarHBondContact O-N 3.08Å; P290-L292 PolarHBondContact O-N 3.03Å; L292-V294 HydrophobicContact CB-CG2 3.85Å; L292-V294 PolarHBondContact O-N 3.24Å; L292-L341 HydrophobicContact CD2-CD2 4.02Å; L292-L341 HydrophobicContact CD2-CG 4.4Å; L292-L341 HydrophobicContact CG-CD2 4.34Å; L292-M342 HydrophobicContact CD1-CE 4.23Å; L292-M342 HydrophobicContact CD1-SD 3.92Å; L292-M342 HydrophobicContact CD2-CB 4.38Å; L292-M342 HydrophobicContact CD2-SD 4.07Å; L292-M342 HydrophobicContact CG-SD 4.42Å; L292-A345 HydrophobicContact CD1-CB 3.6Å |
| 293 | R | 86.7 | Confident | 90.5 | Very high | 162 Ų | 162 | 74.9 Ų | 74.9 | 61% | 0.611 | 35% | 0.354 | S | S | * | . | trans | 48.6 | 32.3 | 176.1 | -58.6 | -173.5 | -176.6 | -173.7 | 3.4 | 115.2 | P290 K291 D295 I296 R297 | P290-R293 PolarHBondContact O-N 3.19Å; K291-R293 VanDerWaalsContact C-N 3.29Å; K291-R293 PolarHBondContact O-N 2.91Å; R293-D295 PolarHBondContact O-N 3.11Å; R293-D295 VanDerWaalsContact O-N 3.09Å; R293-I296 HydrophobicContact CB-CD1 4.49Å; R293-I296 PolarHBondContact O-N 3.48Å; R293-R297 PolarHBondContact O-N 3.01Å | ||
| 294 | V | 88.6 | Confident | 90.5 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.4 | -172.4 | -178.6 | 0 | 0 | 0 | 0 | 113.3 | R282 V285 L292 R297 P298 L301 M342 | R282-V294 HydrophobicContact CG-CG1 4.11Å; V285-V294 HydrophobicContact CB-CG2 4.49Å; V285-V294 HydrophobicContact CG1-CB 4.48Å; V285-V294 HydrophobicContact CG1-CG2 3.62Å; L292-V294 HydrophobicContact CB-CG2 3.85Å; L292-V294 PolarHBondContact O-N 3.24Å; V294-R297 CarbonylContact O-C 3.53Å; V294-P298 WeakPolarHBondContact O-CA 3.47Å; V294-L301 HydrophobicContact CG1-CB 3.57Å; V294-L301 HydrophobicContact CG1-CD2 3.75Å; V294-L301 HydrophobicContact CG1-CG 4.28Å; V294-L301 HydrophobicContact CG2-CB 4.46Å; V294-M342 HydrophobicContact CG2-CE 4.36Å |
| 295 | D | 86.3 | Confident | 90.4 | Very high | 76 Ų | 76 | 70 Ų | 70 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -33.4 | 175.8 | -63.9 | -52.5 | 0 | 0 | 0 | 113.9 | R282 S286 R293 | R282-D295 IonicContact CZ-OD1 2.66Å; R282-D295 IonicContact NE-OD1 3.94Å; R282-D295 PolarHBondContact NE-OD1 2.9Å; R282-D295 PolarHBondContact NH2-O 2.93Å; R282-D295 VanDerWaalsContact NH2-O 3.09Å; R282-D295 IonicContact NH2-OD1 2.74Å; S286-D295 WeakPolarHBondContact CB-OD2 3.34Å; S286-D295 PolarHBondContact OG-OD2 3.15Å; R293-D295 PolarHBondContact O-N 3.11Å; R293-D295 VanDerWaalsContact O-N 3.09Å |
| 296 | I | 89.1 | Confident | 90.3 | Very high | 135 Ų | 135 | 72.6 Ų | 72.6 | 69% | 0.692 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -41.7 | 176.7 | -55 | 171.7 | 0 | 0 | 0 | 109.7 | R293 P298 | R293-I296 HydrophobicContact CB-CD1 4.49Å; R293-I296 PolarHBondContact O-N 3.48Å; I296-P298 VanDerWaalsContact O-CD 3.27Å; I296-P298 WeakPolarHBondContact O-CD 3.24Å |
| 297 | R | 87.9 | Confident | 90.3 | Very high | 143 Ų | 143 | 78.2 Ų | 78.2 | 54% | 0.54 | 36% | 0.362 | S | S | . | . | trans | -119 | 68.7 | -178.9 | -61.5 | -165.6 | -64.1 | -176.6 | 1.5 | 111.9 | R293 V294 Q299 L300 | R293-R297 PolarHBondContact O-N 3.01Å; V294-R297 CarbonylContact O-C 3.53Å; R297-Q299 PolarHBondContact O-N 3.26Å; R297-Q299 VanDerWaalsContact O-N 3.12Å; R297-L300 HydrophobicContact CB-CD1 3.96Å; R297-L300 HydrophobicContact CB-CG 4.08Å; R297-L300 PolarHBondContact O-N 2.82Å; R297-L300 VanDerWaalsContact O-N 3.09Å | ||
| 298 | P | 88.9 | Confident | 90.2 | Very high | 32 Ų | 32 | 72.7 Ų | 72.7 | 21% | 0.208 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -17.6 | -179.3 | 26.4 | -35.5 | 0 | 0 | 0 | 113.7 | Y278 V294 I296 L300 K302 | Y278-P298 WeakPolarHBondContact OH-CB 3.48Å; Y278-P298 PolarHBondContact OH-O 3.43Å; V294-P298 WeakPolarHBondContact O-CA 3.47Å; I296-P298 VanDerWaalsContact O-CD 3.27Å; I296-P298 WeakPolarHBondContact O-CD 3.24Å; P298-L300 VanDerWaalsContact C-N 3.3Å; P298-L300 PolarHBondContact O-N 3.09Å; P298-K302 WeakPolarHBondContact O-CG 2.75Å; P298-K302 PolarHBondContact O-N 3.12Å |
| 299 | Q | 89.4 | Confident | 90.2 | Very high | 114 Ų | 114 | 71.1 Ų | 71.1 | 53% | 0.533 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.7 | -28.9 | 174.2 | -52.4 | -66.2 | 40.5 | 0 | 0 | 112.4 | R297 K302 N303 | R297-Q299 PolarHBondContact O-N 3.26Å; R297-Q299 VanDerWaalsContact O-N 3.12Å; Q299-K302 WeakPolarHBondContact O-CB 3.48Å; Q299-K302 PolarHBondContact O-N 3.36Å; Q299-N303 WeakPolarHBondContact O-CB 3.26Å; Q299-N303 VanDerWaalsContact O-CG 3.24Å; Q299-N303 PolarHBondContact O-N 2.93Å; Q299-N303 PolarHBondContact O-OD1 3.3Å |
| 300 | L | 90.9 | Very high | 90.2 | Very high | 73 Ų | 73 | 76.1 Ų | 76.1 | 38% | 0.382 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 177.3 | -68.1 | 178.6 | 0 | 0 | 0 | 111.7 | R297 P298 K302 N303 A304 | R297-L300 HydrophobicContact CB-CD1 3.96Å; R297-L300 HydrophobicContact CB-CG 4.08Å; R297-L300 PolarHBondContact O-N 2.82Å; R297-L300 VanDerWaalsContact O-N 3.09Å; P298-L300 VanDerWaalsContact C-N 3.3Å; P298-L300 PolarHBondContact O-N 3.09Å; L300-K302 VanDerWaalsContact C-N 3.3Å; L300-K302 PolarHBondContact O-N 3.1Å; L300-N303 PolarHBondContact O-N 3.35Å; L300-A304 VanDerWaalsContact O-CB 3.3Å; L300-A304 WeakPolarHBondContact O-CB 3.45Å; L300-A304 PolarHBondContact O-N 3.09Å |
| 301 | L | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 173.5 | 170.6 | 62.8 | 0 | 0 | 0 | 111.3 | Y278 I281 R282 V294 L305 M342 I346 | Y278-L301 HydrophobicContact CD2-CD2 4.15Å; Y278-L301 HydrophobicContact CD2-CG 4.38Å; Y278-L301 HydrophobicContact CE2-CB 4.48Å; Y278-L301 HydrophobicContact CE2-CD2 3.63Å; Y278-L301 HydrophobicContact CE2-CG 3.78Å; I281-L301 HydrophobicContact CG2-CD1 3.75Å; I281-L301 HydrophobicContact CG2-CD2 4.15Å; R282-L301 HydrophobicContact CB-CD2 3.79Å; R282-L301 HydrophobicContact CG-CD2 4.47Å; V294-L301 HydrophobicContact CG1-CB 3.57Å; V294-L301 HydrophobicContact CG1-CD2 3.75Å; V294-L301 HydrophobicContact CG1-CG 4.28Å; V294-L301 HydrophobicContact CG2-CB 4.46Å; L301-L305 HydrophobicContact CD1-CD1 3.74Å; L301-L305 HydrophobicContact CD1-CG 3.93Å; L301-L305 HydrophobicContact CG-CD1 3.87Å; L301-L305 HydrophobicContact CG-CG 4.47Å; L301-L305 WeakPolarHBondContact O-CB 3.35Å; L301-L305 VanDerWaalsContact O-CG 3.28Å; L301-L305 WeakPolarHBondContact O-CG 3.16Å; L301-L305 PolarHBondContact O-N 3.08Å; L301-M342 HydrophobicContact CB-CE 4.1Å; L301-M342 HydrophobicContact CD1-CE 3.57Å; L301-M342 HydrophobicContact CG-CE 4.42Å; L301-I346 HydrophobicContact CD1-CD1 3.89Å; L301-I346 HydrophobicContact CD1-CG1 3.66Å |
| 302 | K | 92.4 | Very high | 90.2 | Very high | 68 Ų | 68 | 71.8 Ų | 71.8 | 30% | 0.296 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -51.9 | 177.3 | -78.5 | 175.9 | 163.3 | -170.5 | 0 | 112 | Y278 P298 Q299 L300 A304 L305 Q306 A322 | Y278-K302 HydrophobicContact CE2-CG 3.59Å; P298-K302 WeakPolarHBondContact O-CG 2.75Å; P298-K302 PolarHBondContact O-N 3.12Å; Q299-K302 WeakPolarHBondContact O-CB 3.48Å; Q299-K302 PolarHBondContact O-N 3.36Å; L300-K302 VanDerWaalsContact C-N 3.3Å; L300-K302 PolarHBondContact O-N 3.1Å; K302-A304 VanDerWaalsContact C-N 3.29Å; K302-A304 PolarHBondContact O-N 3.44Å; K302-L305 PolarHBondContact O-N 3.27Å; K302-Q306 WeakPolarHBondContact O-CB 3.44Å; K302-Q306 PolarHBondContact O-N 3.26Å; K302-A322 HydrophobicContact CB-CB 3.51Å; K302-A322 HydrophobicContact CG-CB 3.84Å; K302-A322 VanDerWaalsContact O-CB 3.32Å; K302-A322 WeakPolarHBondContact O-CB 3.27Å |
| 303 | N | 92.7 | Very high | 90.2 | Very high | 90 Ų | 90 | 71.8 Ų | 71.8 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.4 | -34 | -179.1 | -64.7 | 10.8 | 0 | 0 | 0 | 111.4 | Q299 L300 R307 | Q299-N303 WeakPolarHBondContact O-CB 3.26Å; Q299-N303 VanDerWaalsContact O-CG 3.24Å; Q299-N303 PolarHBondContact O-N 2.93Å; Q299-N303 PolarHBondContact O-OD1 3.3Å; L300-N303 PolarHBondContact O-N 3.35Å; N303-R307 WeakPolarHBondContact O-CB 3.41Å; N303-R307 VanDerWaalsContact O-CG 3.26Å; N303-R307 WeakPolarHBondContact O-CG 3.46Å; N303-R307 PolarHBondContact O-N 2.85Å |
| 304 | A | 92.3 | Very high | 90.4 | Very high | 15 Ų | 15 | 64.2 Ų | 64.2 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L300 K302 A308 M342 I346 | L300-A304 VanDerWaalsContact O-CB 3.3Å; L300-A304 WeakPolarHBondContact O-CB 3.45Å; L300-A304 PolarHBondContact O-N 3.09Å; K302-A304 VanDerWaalsContact C-N 3.29Å; K302-A304 PolarHBondContact O-N 3.44Å; A304-A308 VanDerWaalsContact O-CB 3.3Å; A304-A308 WeakPolarHBondContact O-CB 3.33Å; A304-A308 PolarHBondContact O-N 3.09Å; A304-M342 HydrophobicContact CB-CG 3.51Å; A304-I346 HydrophobicContact CB-CD1 3.84Å |
| 305 | L | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 174.2 | -74.7 | 166.4 | 0 | 0 | 0 | 111.9 | Y278 I281 L301 K302 A308 V309 L314 F326 I346 | Y278-L305 HydrophobicContact CD2-CD1 3.62Å; Y278-L305 HydrophobicContact CE2-CD1 4.13Å; I281-L305 HydrophobicContact CD1-CD2 4.22Å; L301-L305 HydrophobicContact CD1-CD1 3.74Å; L301-L305 HydrophobicContact CD1-CG 3.93Å; L301-L305 HydrophobicContact CG-CD1 3.87Å; L301-L305 HydrophobicContact CG-CG 4.47Å; L301-L305 WeakPolarHBondContact O-CB 3.35Å; L301-L305 VanDerWaalsContact O-CG 3.28Å; L301-L305 WeakPolarHBondContact O-CG 3.16Å; L301-L305 PolarHBondContact O-N 3.08Å; K302-L305 PolarHBondContact O-N 3.27Å; L305-A308 PolarHBondContact O-N 3.28Å; L305-V309 WeakPolarHBondContact O-CG2 3.35Å; L305-V309 PolarHBondContact O-N 3.22Å; L305-L314 HydrophobicContact CD2-CD1 3.61Å; L305-F326 HydrophobicContact CB-CE1 4.31Å; L305-F326 HydrophobicContact CB-CZ 4.21Å; L305-F326 HydrophobicContact CD1-CD2 4.28Å; L305-F326 HydrophobicContact CD1-CE2 3.87Å; L305-F326 HydrophobicContact CD1-CZ 4.25Å; L305-F326 HydrophobicContact CD2-CD1 4.45Å; L305-F326 HydrophobicContact CD2-CD2 4.11Å; L305-F326 HydrophobicContact CD2-CE2 4.38Å; L305-F326 HydrophobicContact CD2-CG 4.15Å; L305-I346 HydrophobicContact CD2-CD1 4.13Å; L305-I346 HydrophobicContact CD2-CG1 4.4Å; L305-I346 HydrophobicContact CD2-CG2 3.68Å; L305-I346 HydrophobicContact CG-CD1 4.16Å |
| 306 | Q | 92.5 | Very high | 90.8 | Very high | 56 Ų | 56 | 67 Ų | 67 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.3 | -52.4 | 176.2 | -174.7 | 61.4 | 41.6 | 0 | 0 | 110.8 | K302 A308 V309 E310 A322 | K302-Q306 WeakPolarHBondContact O-CB 3.44Å; K302-Q306 PolarHBondContact O-N 3.26Å; Q306-A308 VanDerWaalsContact C-N 3.3Å; Q306-A308 PolarHBondContact O-N 3.09Å; Q306-V309 PolarHBondContact O-N 2.97Å; Q306-V309 VanDerWaalsContact O-N 3.11Å; Q306-E310 VanDerWaalsContact CG-OE1 3.28Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.41Å; Q306-E310 PolarHBondContact NE2-OE1 3.46Å; Q306-E310 WeakPolarHBondContact O-CG 3.35Å; Q306-E310 PolarHBondContact O-N 3.22Å; Q306-A322 HydrophobicContact CB-CB 4.29Å |
| 307 | R | 91.4 | Very high | 90.8 | Very high | 158 Ų | 158 | 64.2 Ų | 64.2 | 60% | 0.596 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.2 | -36.9 | 174.7 | -73.4 | 171.2 | 177.4 | -177.9 | -3.3 | 113.2 | N303 V309 E310 R311 | N303-R307 WeakPolarHBondContact O-CB 3.41Å; N303-R307 VanDerWaalsContact O-CG 3.26Å; N303-R307 WeakPolarHBondContact O-CG 3.46Å; N303-R307 PolarHBondContact O-N 2.85Å; R307-V309 VanDerWaalsContact C-N 3.34Å; R307-E310 WeakPolarHBondContact CA-OE2 3.5Å; R307-E310 PolarHBondContact O-N 3.19Å; R307-R311 VanDerWaalsContact O-CB 3.26Å; R307-R311 WeakPolarHBondContact O-CB 3.27Å; R307-R311 WeakPolarHBondContact O-CD 3.27Å; R307-R311 WeakPolarHBondContact O-CG 3.19Å; R307-R311 PolarHBondContact O-N 3.12Å |
| 308 | A | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.9 | -28.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | A304 L305 Q306 Q313 L314 L337 | A304-A308 VanDerWaalsContact O-CB 3.3Å; A304-A308 WeakPolarHBondContact O-CB 3.33Å; A304-A308 PolarHBondContact O-N 3.09Å; L305-A308 PolarHBondContact O-N 3.28Å; Q306-A308 VanDerWaalsContact C-N 3.3Å; Q306-A308 PolarHBondContact O-N 3.09Å; A308-Q313 WeakPolarHBondContact O-CA 3.46Å; A308-Q313 WeakPolarHBondContact O-CB 3.28Å; A308-Q313 PolarHBondContact O-N 3.41Å; A308-L314 HydrophobicContact CB-CB 4.39Å; A308-L314 HydrophobicContact CB-CD1 3.75Å; A308-L314 HydrophobicContact CB-CG 3.91Å; A308-L314 PolarHBondContact O-N 2.98Å; A308-L337 HydrophobicContact CB-CD1 3.76Å |
| 309 | V | 92.2 | Very high | 90.6 | Very high | 39 Ų | 39 | 62 Ų | 62 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -73.9 | -44.5 | 169.9 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | L305 Q306 R307 R311 G312 L314 Q316 F326 | L305-V309 WeakPolarHBondContact O-CG2 3.35Å; L305-V309 PolarHBondContact O-N 3.22Å; Q306-V309 PolarHBondContact O-N 2.97Å; Q306-V309 VanDerWaalsContact O-N 3.11Å; R307-V309 VanDerWaalsContact C-N 3.34Å; V309-R311 VanDerWaalsContact C-N 3.3Å; V309-R311 PolarHBondContact O-N 3.48Å; V309-G312 WeakPolarHBondContact O-CA 3.29Å; V309-G312 PolarHBondContact O-N 3.49Å; V309-L314 WeakPolarHBondContact CA-O 3.3Å; V309-L314 HydrophobicContact CG2-CB 3.87Å; V309-Q316 HydrophobicContact CG2-CB 4.49Å; V309-F326 HydrophobicContact CG2-CD1 3.84Å; V309-F326 HydrophobicContact CG2-CE1 3.92Å |
| 310 | E | 91.2 | Very high | 90.2 | Very high | 129 Ų | 129 | 65.9 Ų | 65.9 | 60% | 0.603 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.9 | -37.1 | 176.3 | -70.9 | 157.4 | 177.8 | 0 | 0 | 112.4 | Q306 R307 G312 | Q306-E310 VanDerWaalsContact CG-OE1 3.28Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.41Å; Q306-E310 PolarHBondContact NE2-OE1 3.46Å; Q306-E310 WeakPolarHBondContact O-CG 3.35Å; Q306-E310 PolarHBondContact O-N 3.22Å; R307-E310 WeakPolarHBondContact CA-OE2 3.5Å; R307-E310 PolarHBondContact O-N 3.19Å; E310-G312 PolarHBondContact O-N 3.47Å |
| 311 | R | 89.5 | Confident | 89.6 | Confident | 154 Ų | 154 | 64 Ų | 64 | 58% | 0.581 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -0.6 | 172 | -71.9 | 170.3 | 168.1 | -164.7 | -12.3 | 114.1 | R307 V309 Q313 E343 | R307-R311 VanDerWaalsContact O-CB 3.26Å; R307-R311 WeakPolarHBondContact O-CB 3.27Å; R307-R311 WeakPolarHBondContact O-CD 3.27Å; R307-R311 WeakPolarHBondContact O-CG 3.19Å; R307-R311 PolarHBondContact O-N 3.12Å; V309-R311 VanDerWaalsContact C-N 3.3Å; V309-R311 PolarHBondContact O-N 3.48Å; R311-Q313 HydrophobicContact CB-CG 3.85Å; R311-Q313 PolarHBondContact O-N 2.98Å; R311-E343 IonicContact CZ-OE1 2.69Å; R311-E343 IonicContact NH1-OE1 2.7Å; R311-E343 PolarHBondContact NH1-OE1 3.45Å |
| 312 | G | 87.6 | Confident | 88.8 | Confident | 34 Ų | 34 | 65 Ų | 65 | 35% | 0.351 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 15.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V309 E310 K329 | V309-G312 WeakPolarHBondContact O-CA 3.29Å; V309-G312 PolarHBondContact O-N 3.49Å; E310-G312 PolarHBondContact O-N 3.47Å; G312-K329 WeakPolarHBondContact O-CD 3.39Å |
| 313 | Q | 88.3 | Confident | 88.3 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -84.9 | -28.8 | -179.5 | -58 | 177.2 | -18.9 | 0 | 0 | 111.9 | A308 R311 K329 L336 L337 | A308-Q313 WeakPolarHBondContact O-CA 3.46Å; A308-Q313 WeakPolarHBondContact O-CB 3.28Å; A308-Q313 PolarHBondContact O-N 3.41Å; R311-Q313 HydrophobicContact CB-CG 3.85Å; R311-Q313 PolarHBondContact O-N 2.98Å; Q313-K329 WeakPolarHBondContact O-CB 3.33Å; Q313-K329 PolarHBondContact O-N 2.85Å; Q313-K329 VanDerWaalsContact O-N 3.07Å; Q313-L336 HydrophobicContact CB-CB 4.26Å; Q313-L336 HydrophobicContact CG-CB 3.88Å; Q313-L336 PolarHBondContact NE2-O 3.34Å; Q313-L337 HydrophobicContact CB-CB 4.46Å; Q313-L337 HydrophobicContact CB-CD1 4.38Å; Q313-L337 VanDerWaalsContact OE1-CD1 3.28Å |
| 314 | L | 90.5 | Very high | 88.2 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 150.9 | 171.6 | -66.1 | -177.9 | 0 | 0 | 0 | 110.2 | L305 A308 V309 F326 Q327 L328 L337 I346 I350 | L305-L314 HydrophobicContact CD2-CD1 3.61Å; A308-L314 HydrophobicContact CB-CB 4.39Å; A308-L314 HydrophobicContact CB-CD1 3.75Å; A308-L314 HydrophobicContact CB-CG 3.91Å; A308-L314 PolarHBondContact O-N 2.98Å; V309-L314 WeakPolarHBondContact CA-O 3.3Å; V309-L314 HydrophobicContact CG2-CB 3.87Å; L314-F326 HydrophobicContact CD1-CB 4.28Å; L314-Q327 CarbonylContact C-O 3.58Å; L314-Q327 WeakPolarHBondContact CA-O 3.18Å; L314-Q327 WeakPolarHBondContact CD2-O 3.39Å; L314-L328 HydrophobicContact CD2-CB 4.41Å; L314-L328 HydrophobicContact CD2-CD1 3.9Å; L314-L337 HydrophobicContact CD1-CD2 4.27Å; L314-L337 HydrophobicContact CD2-CD2 3.94Å; L314-L337 HydrophobicContact CG-CD2 4.21Å; L314-I346 HydrophobicContact CD1-CG2 4.17Å; L314-I350 HydrophobicContact CD1-CD1 4.19Å; L314-I350 HydrophobicContact CD2-CD1 3.58Å |
| 315 | E | 91.1 | Very high | 88.2 | Confident | 82 Ų | 82 | 62.3 Ų | 62.3 | 38% | 0.383 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 134.1 | 172.3 | -166.9 | 161.9 | 125.3 | 0 | 0 | 109.7 | F326 Q327 K329 | E315-F326 CarbonylContact O-C 3.6Å; E315-F326 WeakPolarHBondContact O-CA 3.19Å; E315-Q327 HydrophobicContact CB-CB 4.46Å; E315-Q327 PolarHBondContact N-O 3.32Å; E315-Q327 PolarHBondContact O-N 2.74Å; E315-K329 WeakPolarHBondContact OE2-CE 3.4Å; E315-K329 IonicContact OE2-NZ 2.7Å; E315-K329 PolarHBondContact OE2-NZ 3.3Å |
| 316 | Q | 92.1 | Very high | 88.2 | Confident | 54 Ų | 54 | 62.3 Ų | 62.3 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 100.4 | -179 | -178.9 | 170.1 | 25.4 | 0 | 0 | 110.5 | V309 T318 G321 S323 F326 | V309-Q316 HydrophobicContact CG2-CB 4.49Å; Q316-T318 PolarHBondContact NE2-O 2.68Å; Q316-G321 PolarHBondContact NE2-O 3.09Å; Q316-G321 PolarHBondContact OE1-O 3.2Å; Q316-S323 PolarHBondContact NE2-O 2.87Å; Q316-F326 HydrophobicContact CB-CD1 4.48Å; Q316-F326 HydrophobicContact CB-CE1 4.45Å; Q316-F326 HydrophobicContact CG-CE1 4.41Å |
| 317 | I | 90.6 | Very high | 88.1 | Confident | 78 Ų | 78 | 62 Ų | 62 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | -28.6 | 178.8 | -64.3 | 177 | 0 | 0 | 0 | 111.6 | E275 T325 Q327 | E275-I317 HydrophobicContact CG-CD1 4.01Å; E275-I317 VanDerWaalsContact OE1-CD1 3.23Å; E275-I317 WeakPolarHBondContact OE1-CD1 3.4Å; I317-T325 PolarHBondContact N-O 2.99Å; I317-T325 VanDerWaalsContact N-O 3.12Å; I317-Q327 HydrophobicContact CD1-CB 3.7Å; I317-Q327 HydrophobicContact CD1-CG 4.24Å; I317-Q327 HydrophobicContact CG1-CB 4.18Å |
| 318 | T | 88.4 | Confident | 88.1 | Confident | 80 Ų | 80 | 55.2 Ų | 55.2 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 142.5 | -174.3 | -51.1 | 0 | 0 | 0 | 0 | 111 | Q316 G324 T325 | Q316-T318 PolarHBondContact NE2-O 2.68Å; T318-G324 CarbonylContact O-C 3.59Å; T318-G324 VanDerWaalsContact O-CA 3.29Å; T318-G324 WeakPolarHBondContact O-CA 3.47Å; T318-T325 PolarHBondContact O-N 3.19Å |
| 319 | G | 82.9 | Confident | 87.8 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 49% | 0.485 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 102.6 | -170.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S323 | G319-S323 WeakPolarHBondContact CA-O 3.32Š|
| 320 | K | 81.1 | Confident | 87 | Confident | 197 Ų | 197 | 63.8 Ų | 63.8 | 86% | 0.857 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -139 | 134.4 | 173.2 | -66.9 | -170.7 | 177.8 | -172.8 | 0 | 108.6 | ||
| 321 | G | 78.3 | Confident | 85.2 | Confident | 32 Ų | 32 | 60.7 Ų | 60.7 | 33% | 0.33 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 58.1 | -147.8 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q316 S323 | Q316-G321 PolarHBondContact NE2-O 3.09Å; Q316-G321 PolarHBondContact OE1-O 3.2Å; G321-S323 PolarHBondContact O-N 3.16Å |
| 322 | A | 75.6 | Confident | 83.6 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -71 | 36.3 | -173 | 0 | 0 | 0 | 0 | 0 | 117.1 | K302 Q306 | K302-A322 HydrophobicContact CB-CB 3.51Å; K302-A322 HydrophobicContact CG-CB 3.84Å; K302-A322 VanDerWaalsContact O-CB 3.32Å; K302-A322 WeakPolarHBondContact O-CB 3.27Å; Q306-A322 HydrophobicContact CB-CB 4.29Å |
| 323 | S | 83.2 | Confident | 82 | Confident | 63 Ų | 63 | 63.6 Ų | 63.6 | 44% | 0.441 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -146.7 | 146.5 | -179 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | Q316 G319 G321 | Q316-S323 PolarHBondContact NE2-O 2.87Å; G319-S323 WeakPolarHBondContact CA-O 3.32Å; G321-S323 PolarHBondContact O-N 3.16Å |
| 324 | G | 89.4 | Confident | 80.7 | Confident | 19 Ų | 19 | 70.6 Ų | 70.6 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 115.2 | -137.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S277 Y278 T318 | S277-G324 CarbonylContact C-O 3.31Å; S277-G324 WeakPolarHBondContact CA-O 3.42Å; Y278-G324 PolarHBondContact N-O 2.94Å; T318-G324 CarbonylContact O-C 3.59Å; T318-G324 VanDerWaalsContact O-CA 3.29Å; T318-G324 WeakPolarHBondContact O-CA 3.47Å |
| 325 | T | 92.2 | Very high | 79.6 | Confident | 35 Ų | 35 | 73.4 Ų | 73.4 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127.8 | -174.1 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | E275 I317 T318 | E275-T325 HydrophobicContact CB-CG2 4.21Å; I317-T325 PolarHBondContact N-O 2.99Å; I317-T325 VanDerWaalsContact N-O 3.12Å; T318-T325 PolarHBondContact O-N 3.19Å |
| 326 | F | 92.7 | Very high | 78.5 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 0% | 0.004 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.6 | -178 | -57.5 | -86.6 | 0 | 0 | 0 | 109.9 | E275 A276 I281 L305 V309 L314 E315 Q316 | E275-F326 WeakPolarHBondContact CA-O 3.19Å; A276-F326 PolarHBondContact N-O 3.27Å; A276-F326 PolarHBondContact O-N 3.14Å; I281-F326 HydrophobicContact CD1-CD2 4.16Å; L305-F326 HydrophobicContact CB-CE1 4.31Å; L305-F326 HydrophobicContact CB-CZ 4.21Å; L305-F326 HydrophobicContact CD1-CD2 4.28Å; L305-F326 HydrophobicContact CD1-CE2 3.87Å; L305-F326 HydrophobicContact CD1-CZ 4.25Å; L305-F326 HydrophobicContact CD2-CD1 4.45Å; L305-F326 HydrophobicContact CD2-CD2 4.11Å; L305-F326 HydrophobicContact CD2-CE2 4.38Å; L305-F326 HydrophobicContact CD2-CG 4.15Å; V309-F326 HydrophobicContact CG2-CD1 3.84Å; V309-F326 HydrophobicContact CG2-CE1 3.92Å; L314-F326 HydrophobicContact CD1-CB 4.28Å; E315-F326 CarbonylContact O-C 3.6Å; E315-F326 WeakPolarHBondContact O-CA 3.19Å; Q316-F326 HydrophobicContact CB-CD1 4.48Å; Q316-F326 HydrophobicContact CB-CE1 4.45Å; Q316-F326 HydrophobicContact CG-CE1 4.41Å |
| 327 | Q | 91.8 | Very high | 77.8 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 22% | 0.224 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 140.9 | 170.6 | -167.9 | -176.7 | 86.9 | 0 | 0 | 109.5 | P273 K274 E275 L314 E315 I317 K329 | P273-Q327 HydrophobicContact CB-CG 4.3Å; P273-Q327 VanDerWaalsContact CB-NE2 3.32Å; K274-Q327 WeakPolarHBondContact O-CA 3.31Å; E275-Q327 HydrophobicContact CG-CB 3.75Å; E275-Q327 HydrophobicContact CG-CG 3.69Å; E275-Q327 PolarHBondContact OE1-NE2 2.61Å; L314-Q327 CarbonylContact C-O 3.58Å; L314-Q327 WeakPolarHBondContact CA-O 3.18Å; L314-Q327 WeakPolarHBondContact CD2-O 3.39Å; E315-Q327 HydrophobicContact CB-CB 4.46Å; E315-Q327 PolarHBondContact N-O 3.32Å; E315-Q327 PolarHBondContact O-N 2.74Å; I317-Q327 HydrophobicContact CD1-CB 3.7Å; I317-Q327 HydrophobicContact CD1-CG 4.24Å; I317-Q327 HydrophobicContact CG1-CB 4.18Å; Q327-K329 PolarHBondContact O-N 3.09Å |
| 328 | L | 90 | Very high | 76.9 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 9% | 0.089 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 113.7 | 172.7 | -177.7 | 66 | 0 | 0 | 0 | 110.4 | K274 L314 P335 L337 L347 I350 | K274-L328 HydrophobicContact CB-CB 4.18Å; K274-L328 HydrophobicContact CD-CD2 4.32Å; K274-L328 PolarHBondContact O-N 2.99Å; L314-L328 HydrophobicContact CD2-CB 4.41Å; L314-L328 HydrophobicContact CD2-CD1 3.9Å; L328-P335 HydrophobicContact CD1-CB 4.31Å; L328-P335 HydrophobicContact CD2-CB 4.03Å; L328-P335 HydrophobicContact CD2-CG 4.05Å; L328-L337 HydrophobicContact CD1-CB 3.9Å; L328-L337 HydrophobicContact CD1-CD2 4.35Å; L328-L347 HydrophobicContact CD1-CD1 3.93Å; L328-L347 HydrophobicContact CD2-CD1 3.59Å; L328-L347 HydrophobicContact CG-CD1 4.43Å; L328-I350 HydrophobicContact CB-CG2 4.28Å |
| 329 | K | 86.1 | Confident | 76.4 | Confident | 88 Ų | 88 | 69 Ų | 69 | 38% | 0.383 | 42% | 0.418 | S | S | . | . | trans | -71.7 | 135.3 | 179.7 | -162.7 | 150.6 | -172.2 | 152 | 0 | 110.1 | G312 Q313 E315 Q327 | G312-K329 WeakPolarHBondContact O-CD 3.39Å; Q313-K329 WeakPolarHBondContact O-CB 3.33Å; Q313-K329 PolarHBondContact O-N 2.85Å; Q313-K329 VanDerWaalsContact O-N 3.07Å; E315-K329 WeakPolarHBondContact OE2-CE 3.4Å; E315-K329 IonicContact OE2-NZ 2.7Å; E315-K329 PolarHBondContact OE2-NZ 3.3Å; Q327-K329 PolarHBondContact O-N 3.09Å | ||
| 330 | K | 74.8 | Confident | 76.5 | Confident | 130 Ų | 130 | 69.3 Ų | 69.3 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | B | Isolated β-bridge | trans | -95.2 | 119.7 | -177.6 | -79 | -177.5 | 150.8 | -159.1 | 0 | 110.9 | E272 | E272-K330 WeakPolarHBondContact OE1-CE 3.45Å; E272-K330 IonicContact OE1-NZ 3.24Å; E272-K330 PolarHBondContact OE1-NZ 2.82Å; E272-K330 IonicContact OE2-NZ 3.06Å; E272-K330 PolarHBondContact OE2-NZ 3.18Å |
| 331 | S | 53.4 | Low | 76.8 | Confident | 64 Ų | 64 | 64.4 Ų | 64.4 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -127.7 | 72.3 | 172.5 | -51.2 | 0 | 0 | 0 | 0 | 108.9 | L336 | S331-L336 VanDerWaalsContact OG-CD1 3.28Å; S331-L336 WeakPolarHBondContact OG-CD1 3.4Å |
| 332 | G | 56.3 | Low | 77.4 | Confident | 62 Ų | 62 | 64 Ų | 64 | 64% | 0.639 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 91.2 | -162.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K334 | G332-K334 VanDerWaalsContact C-N 3.3Å; G332-K334 PolarHBondContact O-N 2.95Å |
| 333 | E | 53.3 | Low | 78.1 | Confident | 188 Ų | 188 | 63.8 Ų | 63.8 | 88% | 0.879 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -79.7 | -10.3 | -172.9 | -159.6 | 170.9 | -130.5 | 0 | 0 | 113.7 | ||
| 334 | K | 61.5 | Low | 78.5 | Confident | 173 Ų | 173 | 64.7 Ų | 64.7 | 75% | 0.752 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -112.5 | 141.9 | 176.4 | -65.2 | 176.8 | -175.9 | 172 | 0 | 110.6 | G332 | G332-K334 VanDerWaalsContact C-N 3.3Å; G332-K334 PolarHBondContact O-N 2.95Å |
| 335 | P | 66.4 | Low | 78.6 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 41% | 0.409 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -59.3 | 139.7 | 166.2 | -24.1 | 35.5 | 0 | 0 | 0 | 112.3 | L328 L337 L347 | L328-P335 HydrophobicContact CD1-CB 4.31Å; L328-P335 HydrophobicContact CD2-CB 4.03Å; L328-P335 HydrophobicContact CD2-CG 4.05Å; P335-L337 VanDerWaalsContact C-N 3.29Å; P335-L347 HydrophobicContact CB-CD1 3.48Å; P335-L347 VanDerWaalsContact CB-CD1 3.48Å; P335-L347 HydrophobicContact CB-CD2 4.29Å; P335-L347 HydrophobicContact CG-CD1 3.68Å; P335-L347 HydrophobicContact CG-CD2 4.33Å |
| 336 | L | 69.4 | Low | 78.7 | Confident | 77 Ų | 77 | 62.1 Ų | 62.1 | 40% | 0.403 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -74.1 | -20.6 | 168.6 | -65.6 | -173 | 0 | 0 | 0 | 113.3 | Q313 S331 G338 | Q313-L336 HydrophobicContact CB-CB 4.26Å; Q313-L336 HydrophobicContact CG-CB 3.88Å; Q313-L336 PolarHBondContact NE2-O 3.34Å; S331-L336 VanDerWaalsContact OG-CD1 3.28Å; S331-L336 WeakPolarHBondContact OG-CD1 3.4Å; L336-G338 PolarHBondContact O-N 3.41Å |
| 337 | L | 77 | Confident | 78.6 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | trans | -78.8 | 81.7 | -176.2 | -171.9 | 67.9 | 0 | 0 | 0 | 111.1 | A308 Q313 L314 L328 P335 E343 I346 L347 | A308-L337 HydrophobicContact CB-CD1 3.76Å; Q313-L337 HydrophobicContact CB-CB 4.46Å; Q313-L337 HydrophobicContact CB-CD1 4.38Å; Q313-L337 VanDerWaalsContact OE1-CD1 3.28Å; L314-L337 HydrophobicContact CD1-CD2 4.27Å; L314-L337 HydrophobicContact CD2-CD2 3.94Å; L314-L337 HydrophobicContact CG-CD2 4.21Å; L328-L337 HydrophobicContact CD1-CB 3.9Å; L328-L337 HydrophobicContact CD1-CD2 4.35Å; P335-L337 VanDerWaalsContact C-N 3.29Å; L337-E343 HydrophobicContact CD1-CB 3.75Å; L337-E343 HydrophobicContact CD1-CG 3.76Å; L337-E343 HydrophobicContact CG-CB 4.1Å; L337-I346 HydrophobicContact CD2-CB 4.06Å; L337-I346 HydrophobicContact CD2-CG2 3.69Å; L337-L347 HydrophobicContact CB-CD1 4.42Å; L337-L347 HydrophobicContact CD2-CB 4.17Å; L337-L347 HydrophobicContact CG-CB 4.4Å; L337-L347 WeakPolarHBondContact O-CD2 3.39Å | ||
| 338 | G | 70.8 | Confident | 78.6 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 50% | 0.495 | 35% | 0.348 | S | S | . | . | trans | -162 | 142.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | L336 | L336-G338 PolarHBondContact O-N 3.41Š| ||
| 339 | G | 77.7 | Confident | 78.8 | Confident | 76 Ų | 76 | 59.7 Ų | 59.7 | 78% | 0.784 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 156.4 | -82.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 340 | S | 85.5 | Confident | 79.1 | Confident | 52 Ų | 52 | 55.5 Ų | 55.5 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -76 | 156.9 | 173.9 | 70.3 | 0 | 0 | 0 | 0 | 113.5 | M342 E343 Y344 | S340-M342 PolarHBondContact O-N 3.12Å; S340-E343 VanDerWaalsContact CB-OE2 3.23Å; S340-E343 WeakPolarHBondContact CB-OE2 3.27Å; S340-E343 PolarHBondContact N-OE2 2.85Å; S340-E343 PolarHBondContact O-N 2.92Å; S340-E343 VanDerWaalsContact OG-CD 3.29Å; S340-E343 WeakPolarHBondContact OG-CG 3.48Å; S340-E343 PolarHBondContact OG-N 2.9Å; S340-E343 VanDerWaalsContact OG-N 3.09Å; S340-E343 PolarHBondContact OG-OE2 2.74Å; S340-Y344 PolarHBondContact O-N 3.36Å |
| 341 | L | 88.6 | Confident | 79.9 | Confident | 95 Ų | 95 | 49.8 Ų | 49.8 | 50% | 0.497 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.2 | -31.7 | 170 | -169.3 | 74.2 | 0 | 0 | 0 | 112.3 | L292 A345 | L292-L341 HydrophobicContact CD2-CD2 4.02Å; L292-L341 HydrophobicContact CD2-CG 4.4Å; L292-L341 HydrophobicContact CG-CD2 4.34Å; L341-A345 VanDerWaalsContact O-CB 3.27Å; L341-A345 WeakPolarHBondContact O-CB 3.38Å; L341-A345 PolarHBondContact O-N 2.82Å |
| 342 | M | 90.1 | Very high | 81.8 | Confident | 22 Ų | 22 | 46.8 Ų | 46.8 | 11% | 0.108 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.8 | -46.8 | 179.7 | -171.4 | 70.4 | -115.7 | 0 | 0 | 111.6 | V285 L292 V294 L301 A304 S340 A345 I346 | V285-M342 HydrophobicContact CG1-CE 4.19Å; L292-M342 HydrophobicContact CD1-CE 4.23Å; L292-M342 HydrophobicContact CD1-SD 3.92Å; L292-M342 HydrophobicContact CD2-CB 4.38Å; L292-M342 HydrophobicContact CD2-SD 4.07Å; L292-M342 HydrophobicContact CG-SD 4.42Å; V294-M342 HydrophobicContact CG2-CE 4.36Å; L301-M342 HydrophobicContact CB-CE 4.1Å; L301-M342 HydrophobicContact CD1-CE 3.57Å; L301-M342 HydrophobicContact CG-CE 4.42Å; A304-M342 HydrophobicContact CB-CG 3.51Å; S340-M342 PolarHBondContact O-N 3.12Å; M342-A345 PolarHBondContact O-N 3.37Å; M342-I346 HydrophobicContact CE-CD1 3.97Å; M342-I346 HydrophobicContact CE-CG1 3.84Å; M342-I346 HydrophobicContact CG-CD1 4.35Å; M342-I346 VanDerWaalsContact O-CG1 3.29Å; M342-I346 WeakPolarHBondContact O-CG1 3.34Å; M342-I346 PolarHBondContact O-N 3.41Å |
| 343 | E | 90.3 | Very high | 83.5 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 175.7 | -71.2 | 156.9 | 138.8 | 0 | 0 | 111 | R311 L337 S340 A345 I346 L347 | R311-E343 IonicContact CZ-OE1 2.69Å; R311-E343 IonicContact NH1-OE1 2.7Å; R311-E343 PolarHBondContact NH1-OE1 3.45Å; L337-E343 HydrophobicContact CD1-CB 3.75Å; L337-E343 HydrophobicContact CD1-CG 3.76Å; L337-E343 HydrophobicContact CG-CB 4.1Å; S340-E343 VanDerWaalsContact CB-OE2 3.23Å; S340-E343 WeakPolarHBondContact CB-OE2 3.27Å; S340-E343 PolarHBondContact N-OE2 2.85Å; S340-E343 PolarHBondContact O-N 2.92Å; S340-E343 VanDerWaalsContact OG-CD 3.29Å; S340-E343 WeakPolarHBondContact OG-CG 3.48Å; S340-E343 PolarHBondContact OG-N 2.9Å; S340-E343 VanDerWaalsContact OG-N 3.09Å; S340-E343 PolarHBondContact OG-OE2 2.74Å; E343-A345 VanDerWaalsContact C-N 3.32Å; E343-A345 PolarHBondContact O-N 3.33Å; E343-I346 PolarHBondContact O-N 2.83Å; E343-L347 WeakPolarHBondContact O-CB 3.43Å; E343-L347 PolarHBondContact O-N 3.42Å |
| 344 | Y | 91 | Very high | 85.2 | Confident | 82 Ų | 82 | 35.5 Ų | 35.5 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.6 | -36.1 | 174.5 | -179.4 | -104.4 | 0 | 0 | 0 | 113.3 | Y289 S340 S348 F423 | Y289-Y344 HydrophobicContact CE1-CD1 4.19Å; Y289-Y344 HydrophobicContact CE1-CE1 4.47Å; Y289-Y344 WeakPolarHBondContact OH-CE1 3.4Å; S340-Y344 PolarHBondContact O-N 3.36Å; Y344-S348 VanDerWaalsContact O-CB 3.32Å; Y344-S348 WeakPolarHBondContact O-CB 3.45Å; Y344-S348 PolarHBondContact O-N 2.74Å; Y344-S348 PolarHBondContact O-OG 3.4Å; Y344-F423 HydrophobicContact CE2-CD2 4.15Å; Y344-F423 HydrophobicContact CE2-CG 4.26Å; Y344-F423 WeakPolarHBondContact OH-CB 3.46Å |
| 345 | A | 92.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.9 | -38.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V285 Y289 L292 L341 M342 E343 A349 | V285-A345 HydrophobicContact CG1-CB 4.15Å; V285-A345 HydrophobicContact CG2-CB 4.08Å; Y289-A345 HydrophobicContact CD1-CB 3.84Å; Y289-A345 HydrophobicContact CD2-CB 3.74Å; Y289-A345 HydrophobicContact CE1-CB 3.82Å; Y289-A345 HydrophobicContact CE2-CB 3.72Å; Y289-A345 HydrophobicContact CG-CB 3.8Å; L292-A345 HydrophobicContact CD1-CB 3.6Å; L341-A345 VanDerWaalsContact O-CB 3.27Å; L341-A345 WeakPolarHBondContact O-CB 3.38Å; L341-A345 PolarHBondContact O-N 2.82Å; M342-A345 PolarHBondContact O-N 3.37Å; E343-A345 VanDerWaalsContact C-N 3.32Å; E343-A345 PolarHBondContact O-N 3.33Å; A345-A349 VanDerWaalsContact O-CB 3.28Å; A345-A349 WeakPolarHBondContact O-CB 3.48Å; A345-A349 PolarHBondContact O-N 2.83Å |
| 346 | I | 92.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.8 | -46.3 | 173.2 | -65.9 | 161.6 | 0 | 0 | 0 | 110.5 | I281 L301 A304 L305 L314 L337 M342 E343 S348 A349 I350 | I281-I346 HydrophobicContact CG2-CG1 4.37Å; L301-I346 HydrophobicContact CD1-CD1 3.89Å; L301-I346 HydrophobicContact CD1-CG1 3.66Å; A304-I346 HydrophobicContact CB-CD1 3.84Å; L305-I346 HydrophobicContact CD2-CD1 4.13Å; L305-I346 HydrophobicContact CD2-CG1 4.4Å; L305-I346 HydrophobicContact CD2-CG2 3.68Å; L305-I346 HydrophobicContact CG-CD1 4.16Å; L314-I346 HydrophobicContact CD1-CG2 4.17Å; L337-I346 HydrophobicContact CD2-CB 4.06Å; L337-I346 HydrophobicContact CD2-CG2 3.69Å; M342-I346 HydrophobicContact CE-CD1 3.97Å; M342-I346 HydrophobicContact CE-CG1 3.84Å; M342-I346 HydrophobicContact CG-CD1 4.35Å; M342-I346 VanDerWaalsContact O-CG1 3.29Å; M342-I346 WeakPolarHBondContact O-CG1 3.34Å; M342-I346 PolarHBondContact O-N 3.41Å; E343-I346 PolarHBondContact O-N 2.83Å; I346-S348 VanDerWaalsContact C-N 3.33Å; I346-S348 PolarHBondContact O-N 2.96Å; I346-A349 WeakPolarHBondContact O-CB 3.5Å; I346-A349 PolarHBondContact O-N 2.72Å; I346-A349 VanDerWaalsContact O-N 3.12Å; I346-I350 HydrophobicContact CG2-CD1 3.73Å; I346-I350 HydrophobicContact CG2-CG1 4.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.5Å; I346-I350 PolarHBondContact O-N 3.25Å |
| 347 | L | 91.8 | Very high | 88.5 | Confident | 15 Ų | 15 | 28.8 Ų | 28.8 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.9 | -50 | 175.2 | 177.6 | 71.1 | 0 | 0 | 0 | 111.1 | L328 P335 L337 E343 A349 I350 A351 F423 | L328-L347 HydrophobicContact CD1-CD1 3.93Å; L328-L347 HydrophobicContact CD2-CD1 3.59Å; L328-L347 HydrophobicContact CG-CD1 4.43Å; P335-L347 HydrophobicContact CB-CD1 3.48Å; P335-L347 VanDerWaalsContact CB-CD1 3.48Å; P335-L347 HydrophobicContact CB-CD2 4.29Å; P335-L347 HydrophobicContact CG-CD1 3.68Å; P335-L347 HydrophobicContact CG-CD2 4.33Å; L337-L347 HydrophobicContact CB-CD1 4.42Å; L337-L347 HydrophobicContact CD2-CB 4.17Å; L337-L347 HydrophobicContact CG-CB 4.4Å; L337-L347 WeakPolarHBondContact O-CD2 3.39Å; E343-L347 WeakPolarHBondContact O-CB 3.43Å; E343-L347 PolarHBondContact O-N 3.42Å; L347-A349 VanDerWaalsContact C-N 3.29Å; L347-A349 PolarHBondContact O-N 3.05Å; L347-I350 PolarHBondContact O-N 2.89Å; L347-A351 WeakPolarHBondContact O-CB 3.25Å; L347-A351 PolarHBondContact O-N 2.96Å; L347-F423 HydrophobicContact CD2-CZ 4.03Å; L347-F423 HydrophobicContact CG-CZ 4.34Å |
| 348 | S | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62 | -38 | 178 | -61.4 | 0 | 0 | 0 | 0 | 112 | Y289 Y344 I346 A352 L422 F423 | Y289-S348 WeakPolarHBondContact OH-CB 3.06Å; Y289-S348 PolarHBondContact OH-OG 3.13Å; Y289-S348 VanDerWaalsContact OH-OG 3.09Å; Y344-S348 VanDerWaalsContact O-CB 3.32Å; Y344-S348 WeakPolarHBondContact O-CB 3.45Å; Y344-S348 PolarHBondContact O-N 2.74Å; Y344-S348 PolarHBondContact O-OG 3.4Å; I346-S348 VanDerWaalsContact C-N 3.33Å; I346-S348 PolarHBondContact O-N 2.96Å; S348-A352 WeakPolarHBondContact O-CB 3.4Å; S348-A352 PolarHBondContact O-N 2.9Å; S348-L422 WeakPolarHBondContact O-CD1 3.45Å; S348-F423 WeakPolarHBondContact OG-CE2 3.25Å |
| 349 | A | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.8 | -45.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I281 Y284 V285 A345 I346 L347 A352 M353 | I281-A349 HydrophobicContact CB-CB 4.3Å; I281-A349 HydrophobicContact CG1-CB 4.35Å; I281-A349 HydrophobicContact CG2-CB 3.96Å; Y284-A349 HydrophobicContact CD1-CB 3.5Å; Y284-A349 HydrophobicContact CE1-CB 4.3Å; Y284-A349 HydrophobicContact CG-CB 3.91Å; V285-A349 HydrophobicContact CG2-CB 4.13Å; A345-A349 VanDerWaalsContact O-CB 3.28Å; A345-A349 WeakPolarHBondContact O-CB 3.48Å; A345-A349 PolarHBondContact O-N 2.83Å; I346-A349 WeakPolarHBondContact O-CB 3.5Å; I346-A349 PolarHBondContact O-N 2.72Å; I346-A349 VanDerWaalsContact O-N 3.12Å; L347-A349 VanDerWaalsContact C-N 3.29Å; L347-A349 PolarHBondContact O-N 3.05Å; A349-A352 PolarHBondContact O-N 3.14Å; A349-M353 WeakPolarHBondContact O-CB 3.44Å; A349-M353 WeakPolarHBondContact O-CG 3.29Å; A349-M353 PolarHBondContact O-N 3.46Å |
| 350 | I | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.4 | -65.6 | 168.9 | 0 | 0 | 0 | 109.6 | K274 A276 I281 L314 L328 I346 L347 N354 | K274-I350 HydrophobicContact CB-CG2 4.22Å; K274-I350 WeakPolarHBondContact O-CG2 3.17Å; A276-I350 HydrophobicContact CB-CB 4.43Å; A276-I350 HydrophobicContact CB-CG1 4.14Å; I281-I350 HydrophobicContact CD1-CD1 4.26Å; I281-I350 HydrophobicContact CD1-CG1 3.81Å; I281-I350 HydrophobicContact CG1-CG1 4.14Å; L314-I350 HydrophobicContact CD1-CD1 4.19Å; L314-I350 HydrophobicContact CD2-CD1 3.58Å; L328-I350 HydrophobicContact CB-CG2 4.28Å; I346-I350 HydrophobicContact CG2-CD1 3.73Å; I346-I350 HydrophobicContact CG2-CG1 4.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.5Å; I346-I350 PolarHBondContact O-N 3.25Å; L347-I350 PolarHBondContact O-N 2.89Å; I350-N354 WeakPolarHBondContact O-CB 3.07Å; I350-N354 PolarHBondContact O-N 2.85Å |
| 351 | A | 91.6 | Very high | 91.3 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T268 L347 L422 | T268-A351 WeakPolarHBondContact CG2-O 3.31Å; L347-A351 WeakPolarHBondContact O-CB 3.25Å; L347-A351 PolarHBondContact O-N 2.96Å; A351-L422 HydrophobicContact CB-CD1 4.08Å |
| 352 | A | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.8 | -44.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y284 S348 A349 K357 L422 | Y284-A352 HydrophobicContact CD2-CB 3.66Å; Y284-A352 HydrophobicContact CE1-CB 4.37Å; Y284-A352 HydrophobicContact CE2-CB 3.15Å; Y284-A352 HydrophobicContact CG-CB 4.44Å; S348-A352 WeakPolarHBondContact O-CB 3.4Å; S348-A352 PolarHBondContact O-N 2.9Å; A349-A352 PolarHBondContact O-N 3.14Å; A352-K357 WeakPolarHBondContact O-CE 3.3Å; A352-K357 PolarHBondContact O-NZ 2.74Å; A352-L422 HydrophobicContact CB-CD1 3.66Å |
| 353 | M | 90.6 | Very high | 91.6 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.03 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -93.5 | -2.7 | -164.6 | -57.1 | -59.4 | -65.1 | 0 | 0 | 114.2 | A276 L280 Y284 A349 E355 Y416 | A276-M353 HydrophobicContact CB-CB 4.26Å; L280-M353 HydrophobicContact CB-CB 3.91Å; L280-M353 HydrophobicContact CB-CE 3.99Å; L280-M353 HydrophobicContact CB-CG 4.23Å; L280-M353 HydrophobicContact CD1-CB 4.46Å; L280-M353 HydrophobicContact CD2-CE 3.87Å; L280-M353 HydrophobicContact CG-CE 4.41Å; Y284-M353 HydrophobicContact CD2-CG 4.07Å; Y284-M353 HydrophobicContact CD2-SD 3.72Å; Y284-M353 HydrophobicContact CG-CG 4.18Å; Y284-M353 HydrophobicContact CG-SD 4.28Å; A349-M353 WeakPolarHBondContact O-CB 3.44Å; A349-M353 WeakPolarHBondContact O-CG 3.29Å; A349-M353 PolarHBondContact O-N 3.46Å; M353-E355 PolarHBondContact O-N 3Å; M353-Y416 HydrophobicContact CE-CD1 3.72Å; M353-Y416 HydrophobicContact CE-CD2 4.2Å; M353-Y416 HydrophobicContact CE-CE1 3.64Å; M353-Y416 HydrophobicContact CE-CE2 4.17Å; M353-Y416 HydrophobicContact CE-CG 3.99Å; M353-Y416 HydrophobicContact SD-CD1 3.4Å; M353-Y416 WeakPolarHBondContact SD-CD1 3.23Å; M353-Y416 HydrophobicContact SD-CD2 4.32Å; M353-Y416 HydrophobicContact SD-CE1 3.95Å; M353-Y416 HydrophobicContact SD-CG 3.6Å |
| 354 | N | 90.9 | Very high | 91.7 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | trans | -54.6 | 124.7 | 176.9 | -168.8 | 31.9 | 0 | 0 | 0 | 112.3 | C271 P273 E275 I350 K357 | C271-N354 PolarHBondContact SG-ND2 3.23Å; C271-N354 VanDerWaalsContact SG-ND2 3.39Å; P273-N354 PolarHBondContact O-ND2 3.24Å; E275-N354 PolarHBondContact N-OD1 3.03Å; E275-N354 VanDerWaalsContact O-CA 3.26Å; E275-N354 WeakPolarHBondContact O-CA 3.45Å; E275-N354 PolarHBondContact O-OD1 3.4Å; I350-N354 WeakPolarHBondContact O-CB 3.07Å; I350-N354 PolarHBondContact O-N 2.85Å; N354-K357 WeakPolarHBondContact O-CE 3.39Å; N354-K357 WeakPolarHBondContact O-CG 3.19Å; N354-K357 PolarHBondContact O-NZ 3.45Å | ||
| 355 | E | 87.1 | Confident | 91.7 | Very high | 88 Ų | 88 | 22.7 Ų | 22.7 | 41% | 0.411 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -144.9 | 136.3 | 176 | -67.6 | -166.2 | 157.2 | 0 | 0 | 109.6 | M353 P414 Y416 | M353-E355 PolarHBondContact O-N 3Å; E355-P414 WeakPolarHBondContact OE1-CA 3.45Å; E355-P414 VanDerWaalsContact OE1-CB 3.27Å; E355-P414 WeakPolarHBondContact OE1-CB 3.36Å; E355-Y416 HydrophobicContact CG-CE1 4.36Å; E355-Y416 WeakPolarHBondContact OE1-CE1 3.08Å; E355-Y416 PolarHBondContact OE1-OH 3.41Å |
| 356 | P | 87.6 | Confident | 91.7 | Very high | 77 Ų | 77 | 28.2 Ų | 28.2 | 50% | 0.5 | 16% | 0.158 | S | C | . | . | S | Bend | cis | -79 | 133.4 | 4.9 | 31.2 | -34.5 | 0 | 0 | 0 | 113.5 | C271 T358 Q410 | C271-P356 PolarHBondContact SG-O 2.86Å; P356-T358 HydrophobicContact CB-CG2 4.25Å; P356-T358 HydrophobicContact CG-CG2 4.28Å; P356-T358 PolarHBondContact O-N 3.49Å; P356-Q410 HydrophobicContact CB-CG 4.35Å |
| 357 | K | 91.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | trans | -74.6 | 91.2 | 172.8 | -66.2 | -168.9 | 170.7 | 67.5 | 0 | 110.3 | F267 T268 A352 N354 Q410 L411 Y415 | F267-K357 WeakPolarHBondContact CD1-O 3.45Å; T268-K357 WeakPolarHBondContact OG1-CD 3.48Å; T268-K357 VanDerWaalsContact OG1-CE 3.25Å; T268-K357 WeakPolarHBondContact OG1-CE 3.34Å; A352-K357 WeakPolarHBondContact O-CE 3.3Å; A352-K357 PolarHBondContact O-NZ 2.74Å; N354-K357 WeakPolarHBondContact O-CE 3.39Å; N354-K357 WeakPolarHBondContact O-CG 3.19Å; N354-K357 PolarHBondContact O-NZ 3.45Å; K357-Q410 WeakPolarHBondContact O-CA 3.41Å; K357-L411 HydrophobicContact CB-CB 4.41Å; K357-L411 HydrophobicContact CB-CD1 3.94Å; K357-L411 HydrophobicContact CB-CG 4.07Å; K357-L411 HydrophobicContact CD-CD1 3.95Å; K357-L411 PolarHBondContact O-N 2.76Å; K357-Y415 WeakPolarHBondContact CE-O 3.42Å; K357-Y415 PolarHBondContact NZ-O 2.89Å | ||
| 358 | T | 91.9 | Very high | 91.5 | Very high | 43 Ų | 43 | 28.6 Ų | 28.6 | 26% | 0.264 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 154.7 | 173 | 71.6 | 0 | 0 | 0 | 0 | 110.9 | C271 P356 F409 Q410 | C271-T358 VanDerWaalsContact CA-O 3.31Å; C271-T358 WeakPolarHBondContact CA-O 3.32Å; C271-T358 VanDerWaalsContact CB-O 3.23Å; C271-T358 WeakPolarHBondContact CB-O 3.38Å; C271-T358 PolarHBondContact SG-N 3.2Å; C271-T358 VanDerWaalsContact SG-N 3.39Å; C271-T358 PolarHBondContact SG-O 2.95Å; C271-T358 VanDerWaalsContact SG-O 3.4Å; P356-T358 HydrophobicContact CB-CG2 4.25Å; P356-T358 HydrophobicContact CG-CG2 4.28Å; P356-T358 PolarHBondContact O-N 3.49Å; T358-F409 CarbonylContact C-O 3.46Å; T358-F409 VanDerWaalsContact CA-O 3.31Å; T358-F409 WeakPolarHBondContact CA-O 3.48Å; T358-Q410 HydrophobicContact CG2-CB 4.17Å; T358-Q410 HydrophobicContact CG2-CG 4.09Å |
| 359 | C | 92.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.034 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 142.3 | 173.3 | -170 | 0 | 0 | 0 | 0 | 111.3 | F267 L270 L364 T408 F409 | F267-C359 HydrophobicContact CD1-CB 3.6Å; F267-C359 HydrophobicContact CD2-CB 4.38Å; F267-C359 HydrophobicContact CE1-CB 3.7Å; F267-C359 HydrophobicContact CE2-CB 4.47Å; F267-C359 HydrophobicContact CG-CB 4Å; F267-C359 HydrophobicContact CZ-CB 4.16Å; L270-C359 VanDerWaalsContact CB-SG 3.5Å; C359-L364 HydrophobicContact CB-CD2 4.42Å; C359-L364 HydrophobicContact CB-CG 4.33Å; C359-T408 WeakPolarHBondContact O-CA 3.29Å; C359-F409 PolarHBondContact N-O 3.25Å; C359-F409 PolarHBondContact O-N 3.38Å |
| 360 | S | 93.2 | Very high | 91.1 | Very high | 37 Ų | 37 | 37.6 Ų | 37.6 | 26% | 0.259 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 149.2 | 172 | 68.6 | 0 | 0 | 0 | 0 | 111.7 | T362 A363 L364 | S360-T362 PolarHBondContact O-N 2.87Å; S360-T362 PolarHBondContact OG-OG1 3.24Å; S360-T362 VanDerWaalsContact OG-OG1 3.08Å; S360-A363 PolarHBondContact O-N 2.85Å; S360-A363 VanDerWaalsContact OG-CB 3.26Å; S360-A363 WeakPolarHBondContact OG-CB 3.41Å; S360-A363 PolarHBondContact OG-N 3.46Å; S360-A363 VanDerWaalsContact OG-N 3.11Å; S360-L364 WeakPolarHBondContact O-CG 3.45Å; S360-L364 PolarHBondContact O-N 2.96Å; S360-L364 VanDerWaalsContact O-N 3.08Å |
| 361 | T | 92.1 | Very high | 90.7 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.1 | -28.8 | 171.5 | 47.7 | 0 | 0 | 0 | 0 | 112.4 | K365 L388 G407 F409 | T361-K365 WeakPolarHBondContact O-CB 3.48Å; T361-K365 VanDerWaalsContact O-CD 3.29Å; T361-K365 WeakPolarHBondContact O-CD 3.26Å; T361-K365 WeakPolarHBondContact O-CG 3.31Å; T361-K365 PolarHBondContact O-N 3.09Å; T361-L388 HydrophobicContact CG2-CD1 4.33Å; T361-G407 WeakPolarHBondContact CG2-O 3.46Å; T361-G407 PolarHBondContact N-O 2.82Å; T361-G407 PolarHBondContact OG1-N 3.05Å; T361-G407 PolarHBondContact OG1-O 3.02Å; T361-F409 HydrophobicContact CG2-CD2 3.7Å; T361-F409 HydrophobicContact CG2-CE2 3.48Å; T361-F409 VanDerWaalsContact CG2-CE2 3.48Å |
| 362 | T | 92.6 | Very high | 90.2 | Very high | 97 Ų | 97 | 43.8 Ų | 43.8 | 60% | 0.595 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -68.5 | -44.2 | 175.5 | 42.7 | 0 | 0 | 0 | 0 | 112 | S360 K365 K366 | S360-T362 PolarHBondContact O-N 2.87Å; S360-T362 PolarHBondContact OG-OG1 3.24Å; S360-T362 VanDerWaalsContact OG-OG1 3.08Å; T362-K365 WeakPolarHBondContact O-CB 3.06Å; T362-K365 PolarHBondContact O-N 3.28Å; T362-K366 PolarHBondContact O-N 3.05Å; T362-K366 VanDerWaalsContact O-N 3.09Å |
| 363 | A | 92.9 | Very high | 89.4 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 21% | 0.207 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L270 S360 K365 K366 Y367 | L270-A363 HydrophobicContact CB-CB 4.36Å; L270-A363 HydrophobicContact CD1-CB 4.18Å; L270-A363 HydrophobicContact CD2-CB 4.32Å; S360-A363 PolarHBondContact O-N 2.85Å; S360-A363 VanDerWaalsContact OG-CB 3.26Å; S360-A363 WeakPolarHBondContact OG-CB 3.41Å; S360-A363 PolarHBondContact OG-N 3.46Å; S360-A363 VanDerWaalsContact OG-N 3.11Å; A363-K365 VanDerWaalsContact C-N 3.28Å; A363-K365 PolarHBondContact O-N 3.08Å; A363-K366 PolarHBondContact O-N 3.26Å; A363-Y367 WeakPolarHBondContact O-CB 3.39Å; A363-Y367 PolarHBondContact O-N 3.33Å |
| 364 | L | 92 | Very high | 88.5 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -37.4 | 174.9 | -69.6 | 172.5 | 0 | 0 | 0 | 112.5 | L263 A266 F267 L270 C359 S360 V368 L384 L388 | L263-L364 HydrophobicContact CD2-CD2 3.98Å; A266-L364 HydrophobicContact CB-CD2 4.14Å; F267-L364 HydrophobicContact CD2-CD2 3.87Å; F267-L364 HydrophobicContact CE2-CD1 3.76Å; F267-L364 HydrophobicContact CE2-CD2 3.82Å; F267-L364 HydrophobicContact CE2-CG 4.4Å; F267-L364 HydrophobicContact CZ-CD1 4.06Å; L270-L364 HydrophobicContact CD1-CD2 4.01Å; C359-L364 HydrophobicContact CB-CD2 4.42Å; C359-L364 HydrophobicContact CB-CG 4.33Å; S360-L364 WeakPolarHBondContact O-CG 3.45Å; S360-L364 PolarHBondContact O-N 2.96Å; S360-L364 VanDerWaalsContact O-N 3.08Å; L364-V368 WeakPolarHBondContact O-CB 3.48Å; L364-V368 VanDerWaalsContact O-CG2 3.24Å; L364-V368 WeakPolarHBondContact O-CG2 3.36Å; L364-V368 PolarHBondContact O-N 3.23Å; L364-L384 HydrophobicContact CB-CD2 4.27Å; L364-L388 HydrophobicContact CD1-CD1 4.29Å; L364-L388 HydrophobicContact CD1-CD2 4.19Å |
| 365 | K | 91.8 | Very high | 87.5 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 22% | 0.217 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 176.7 | -74.7 | 166.6 | -171.7 | 170.9 | 0 | 111.9 | T361 T362 A363 L369 M381 L384 F405 | T361-K365 WeakPolarHBondContact O-CB 3.48Å; T361-K365 VanDerWaalsContact O-CD 3.29Å; T361-K365 WeakPolarHBondContact O-CD 3.26Å; T361-K365 WeakPolarHBondContact O-CG 3.31Å; T361-K365 PolarHBondContact O-N 3.09Å; T362-K365 WeakPolarHBondContact O-CB 3.06Å; T362-K365 PolarHBondContact O-N 3.28Å; A363-K365 VanDerWaalsContact C-N 3.28Å; A363-K365 PolarHBondContact O-N 3.08Å; K365-L369 WeakPolarHBondContact O-CG 3.47Å; K365-L369 PolarHBondContact O-N 2.86Å; K365-M381 HydrophobicContact CB-CE 4Å; K365-M381 HydrophobicContact CB-SD 4.49Å; K365-M381 HydrophobicContact CD-CE 4.06Å; K365-M381 HydrophobicContact CD-SD 3.66Å; K365-M381 HydrophobicContact CG-CE 3.71Å; K365-M381 HydrophobicContact CG-SD 3.55Å; K365-M381 VanDerWaalsContact CG-SD 3.55Å; K365-L384 HydrophobicContact CG-CD2 4.05Å; K365-F405 VanDerWaalsContact CE-CE1 3.49Å |
| 366 | K | 92.1 | Very high | 87.2 | Confident | 117 Ų | 117 | 55.7 Ų | 55.7 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.3 | -56.4 | 174.9 | 180 | 179.3 | 173.5 | -174.2 | 0 | 110.2 | T362 A363 V368 L369 E370 | T362-K366 PolarHBondContact O-N 3.05Å; T362-K366 VanDerWaalsContact O-N 3.09Å; A363-K366 PolarHBondContact O-N 3.26Å; K366-V368 PolarHBondContact O-N 3.15Å; K366-L369 PolarHBondContact O-N 3.27Å; K366-L369 VanDerWaalsContact O-N 3.12Å; K366-E370 WeakPolarHBondContact CE-OE1 3.49Å; K366-E370 VanDerWaalsContact CG-CD 3.49Å; K366-E370 VanDerWaalsContact CG-OE1 3.26Å; K366-E370 WeakPolarHBondContact CG-OE1 3.43Å; K366-E370 WeakPolarHBondContact CG-OE2 3.5Å; K366-E370 IonicContact NZ-OE1 3.92Å; K366-E370 WeakPolarHBondContact O-CG 3.28Å; K366-E370 PolarHBondContact O-N 3.21Å; K366-E370 VanDerWaalsContact O-N 3.09Å |
| 367 | Y | 90.8 | Very high | 87.2 | Confident | 19 Ų | 19 | 55.1 Ų | 55.1 | 8% | 0.075 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.2 | -43 | -178.3 | -177.8 | -82.8 | 0 | 0 | 0 | 114 | V262 A266 R269 L270 A363 E370 N371 | V262-Y367 HydrophobicContact CG1-CE1 4.13Å; A266-Y367 HydrophobicContact CB-CD1 3.58Å; A266-Y367 HydrophobicContact CB-CE1 3.49Å; A266-Y367 VanDerWaalsContact CB-CE1 3.49Å; A266-Y367 HydrophobicContact CB-CE2 4.46Å; A266-Y367 HydrophobicContact CB-CG 4.14Å; R269-Y367 HydrophobicContact CB-CE2 4.04Å; R269-Y367 HydrophobicContact CG-CE2 3.91Å; L270-Y367 HydrophobicContact CD1-CD2 4.15Å; L270-Y367 HydrophobicContact CD1-CG 3.97Å; L270-Y367 HydrophobicContact CD2-CD2 4.13Å; L270-Y367 HydrophobicContact CG-CD2 4.16Å; L270-Y367 HydrophobicContact CG-CG 4.49Å; A363-Y367 WeakPolarHBondContact O-CB 3.39Å; A363-Y367 PolarHBondContact O-N 3.33Å; Y367-E370 PolarHBondContact O-N 3.19Å; Y367-N371 HydrophobicContact CD1-CB 4.27Å; Y367-N371 VanDerWaalsContact CD2-ND2 3.34Å; Y367-N371 WeakPolarHBondContact CD2-ND2 3.17Å; Y367-N371 HydrophobicContact CE1-CB 3.9Å; Y367-N371 WeakPolarHBondContact CE2-ND2 3.4Å; Y367-N371 WeakPolarHBondContact O-CB 3.26Å; Y367-N371 PolarHBondContact O-N 3.44Å; Y367-N371 PolarHBondContact O-ND2 3.48Å |
| 368 | V | 89.8 | Confident | 87 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.024 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70 | -32.5 | -178.6 | 169.7 | 0 | 0 | 0 | 0 | 112.1 | L259 L364 K366 H372 Q380 L384 | L259-V368 HydrophobicContact CD1-CG1 4.31Å; L259-V368 HydrophobicContact CD1-CG2 3.76Å; L364-V368 WeakPolarHBondContact O-CB 3.48Å; L364-V368 VanDerWaalsContact O-CG2 3.24Å; L364-V368 WeakPolarHBondContact O-CG2 3.36Å; L364-V368 PolarHBondContact O-N 3.23Å; K366-V368 PolarHBondContact O-N 3.15Å; V368-H372 CarbonylContact O-C 3.37Å; V368-H372 WeakPolarHBondContact O-CA 3.3Å; V368-H372 PolarHBondContact O-N 2.9Å; V368-Q380 HydrophobicContact CG1-CB 4.25Å; V368-L384 HydrophobicContact CG2-CD1 4.35Å; V368-L384 HydrophobicContact CG2-CD2 4.28Å |
| 369 | L | 88.8 | Confident | 86.8 | Confident | 73 Ų | 73 | 66 Ų | 66 | 38% | 0.382 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.8 | -35.7 | 174.3 | -68.2 | 169.6 | 0 | 0 | 0 | 111.9 | K365 K366 | K365-L369 WeakPolarHBondContact O-CG 3.47Å; K365-L369 PolarHBondContact O-N 2.86Å; K366-L369 PolarHBondContact O-N 3.27Å; K366-L369 VanDerWaalsContact O-N 3.12Å |
| 370 | E | 88.3 | Confident | 86.5 | Confident | 115 Ų | 115 | 67 Ų | 67 | 54% | 0.537 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -79.8 | -46.4 | -178.4 | -69.1 | 167.8 | 163.3 | 0 | 0 | 113.5 | K366 Y367 | K366-E370 WeakPolarHBondContact CE-OE1 3.49Å; K366-E370 VanDerWaalsContact CG-CD 3.49Å; K366-E370 VanDerWaalsContact CG-OE1 3.26Å; K366-E370 WeakPolarHBondContact CG-OE1 3.43Å; K366-E370 WeakPolarHBondContact CG-OE2 3.5Å; K366-E370 IonicContact NZ-OE1 3.92Å; K366-E370 WeakPolarHBondContact O-CG 3.28Å; K366-E370 PolarHBondContact O-N 3.21Å; K366-E370 VanDerWaalsContact O-N 3.09Å; Y367-E370 PolarHBondContact O-N 3.19Å |
| 371 | N | 84.4 | Confident | 86.4 | Confident | 78 Ų | 78 | 67.9 Ų | 67.9 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -91.8 | -20.8 | -172 | -65.2 | -100.5 | 0 | 0 | 0 | 112.6 | Y367 P373 | Y367-N371 HydrophobicContact CD1-CB 4.27Å; Y367-N371 VanDerWaalsContact CD2-ND2 3.34Å; Y367-N371 WeakPolarHBondContact CD2-ND2 3.17Å; Y367-N371 HydrophobicContact CE1-CB 3.9Å; Y367-N371 WeakPolarHBondContact CE2-ND2 3.4Å; Y367-N371 WeakPolarHBondContact O-CB 3.26Å; Y367-N371 PolarHBondContact O-N 3.44Å; Y367-N371 PolarHBondContact O-ND2 3.48Å; N371-P373 VanDerWaalsContact C-CD 3.48Å |
| 372 | H | 81 | Confident | 86.3 | Confident | 64 Ų | 64 | 72 Ų | 72 | 30% | 0.296 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -133.7 | 63 | 177.1 | -58.9 | -62.4 | 0 | 0 | 0 | 111.2 | V262 V368 G374 Q380 | V262-H372 VanDerWaalsContact CG1-NE2 3.29Å; V262-H372 WeakPolarHBondContact CG1-NE2 3.41Å; V368-H372 CarbonylContact O-C 3.37Å; V368-H372 WeakPolarHBondContact O-CA 3.3Å; V368-H372 PolarHBondContact O-N 2.9Å; H372-G374 PolarHBondContact O-N 3.03Å; H372-Q380 PolarHBondContact O-NE2 3.03Å |
| 373 | P | 76.7 | Confident | 86.2 | Confident | 104 Ų | 104 | 70.2 Ų | 70.2 | 68% | 0.675 | 38% | 0.381 | S | S | * | . | trans | -60.7 | 98.5 | 179.8 | 26.2 | -35.2 | 0 | 0 | 0 | 110.6 | N371 | N371-P373 VanDerWaalsContact C-CD 3.48Š| ||
| 374 | G | 70.4 | Confident | 86.2 | Confident | 31 Ų | 31 | 69.1 Ų | 69.1 | 32% | 0.32 | 37% | 0.372 | S | S | . | . | trans | -84.7 | 151.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | H372 N376 | H372-G374 PolarHBondContact O-N 3.03Å; G374-N376 PolarHBondContact O-N 3.38Å | ||
| 375 | A | 70.8 | Confident | 86.2 | Confident | 107 Ų | 107 | 73.3 Ų | 73.3 | 88% | 0.884 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -55.9 | -9.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 376 | N | 80.1 | Confident | 86.2 | Confident | 109 Ų | 109 | 76.5 Ų | 76.5 | 58% | 0.583 | 40% | 0.404 | S | S | * | . | trans | -143 | 115.5 | 169.4 | -77 | -87.4 | 0 | 0 | 0 | 110.2 | G374 N378 Y379 Q380 | G374-N376 PolarHBondContact O-N 3.38Å; N376-N378 VanDerWaalsContact C-N 3.33Å; N376-N378 PolarHBondContact O-N 2.88Å; N376-Y379 WeakPolarHBondContact O-CB 3.47Å; N376-Y379 PolarHBondContact O-N 2.99Å; N376-Q380 PolarHBondContact O-N 3.33Å; N376-Q380 VanDerWaalsContact O-N 3.16Å | ||
| 377 | S | 87.3 | Confident | 86.2 | Confident | 65 Ų | 65 | 71.1 Ų | 71.1 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -56.9 | -43.6 | 175.5 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | Y379 Q380 M381 | S377-Y379 VanDerWaalsContact C-N 3.26Å; S377-Y379 PolarHBondContact O-N 3.22Å; S377-Q380 PolarHBondContact O-N 3.25Å; S377-M381 WeakPolarHBondContact O-CB 3.26Å; S377-M381 PolarHBondContact O-N 3.03Å |
| 378 | N | 86.9 | Confident | 86.3 | Confident | 131 Ų | 131 | 70.3 Ų | 70.3 | 70% | 0.701 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.4 | -33.1 | 174.6 | -76.9 | -64.2 | 0 | 0 | 0 | 113.2 | N376 H382 | N376-N378 VanDerWaalsContact C-N 3.33Å; N376-N378 PolarHBondContact O-N 2.88Å; N378-H382 PolarHBondContact O-N 3.16Å |
| 379 | Y | 87.8 | Confident | 86.5 | Confident | 147 Ų | 147 | 73.4 Ų | 73.4 | 58% | 0.576 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -71.4 | -45.1 | 175.3 | -177.8 | -91.3 | 0 | 0 | 0 | 111.1 | N376 S377 M381 H382 L383 | N376-Y379 WeakPolarHBondContact O-CB 3.47Å; N376-Y379 PolarHBondContact O-N 2.99Å; S377-Y379 VanDerWaalsContact C-N 3.26Å; S377-Y379 PolarHBondContact O-N 3.22Å; Y379-M381 VanDerWaalsContact C-N 3.29Å; Y379-M381 PolarHBondContact O-N 2.95Å; Y379-H382 PolarHBondContact O-N 2.97Å; Y379-L383 HydrophobicContact CE1-CD2 4.29Å; Y379-L383 WeakPolarHBondContact O-CB 3.38Å; Y379-L383 PolarHBondContact O-N 2.96Å |
| 380 | Q | 86.9 | Confident | 86.6 | Confident | 26 Ų | 26 | 74 Ų | 74 | 12% | 0.121 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 175.4 | -64.1 | -64.7 | 48 | 0 | 0 | 111.9 | V368 H372 N376 S377 H382 L383 L384 | V368-Q380 HydrophobicContact CG1-CB 4.25Å; H372-Q380 PolarHBondContact O-NE2 3.03Å; N376-Q380 PolarHBondContact O-N 3.33Å; N376-Q380 VanDerWaalsContact O-N 3.16Å; S377-Q380 PolarHBondContact O-N 3.25Å; Q380-H382 PolarHBondContact O-N 3.43Å; Q380-L383 PolarHBondContact O-N 2.87Å; Q380-L384 WeakPolarHBondContact O-CB 3.08Å; Q380-L384 PolarHBondContact O-N 3.28Å |
| 381 | M | 90.6 | Very high | 86.8 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 27% | 0.271 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 174.8 | -167.7 | 59.6 | 53.1 | 0 | 0 | 112.4 | K365 S377 Y379 K385 F405 | K365-M381 HydrophobicContact CB-CE 4Å; K365-M381 HydrophobicContact CB-SD 4.49Å; K365-M381 HydrophobicContact CD-CE 4.06Å; K365-M381 HydrophobicContact CD-SD 3.66Å; K365-M381 HydrophobicContact CG-CE 3.71Å; K365-M381 HydrophobicContact CG-SD 3.55Å; K365-M381 VanDerWaalsContact CG-SD 3.55Å; S377-M381 WeakPolarHBondContact O-CB 3.26Å; S377-M381 PolarHBondContact O-N 3.03Å; Y379-M381 VanDerWaalsContact C-N 3.29Å; Y379-M381 PolarHBondContact O-N 2.95Å; M381-K385 PolarHBondContact O-N 2.87Å; M381-K385 VanDerWaalsContact O-N 3.08Å; M381-F405 HydrophobicContact CG-CE1 4.11Å; M381-F405 HydrophobicContact SD-CE1 3.66Å; M381-F405 HydrophobicContact SD-CZ 3.89Å |
| 382 | H | 90 | Very high | 87.1 | Confident | 94 Ų | 94 | 68.5 Ų | 68.5 | 44% | 0.435 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -73 | -33.9 | 178 | 175.8 | -148.9 | 0 | 0 | 0 | 112.8 | N378 Y379 Q380 K386 | N378-H382 PolarHBondContact O-N 3.16Å; Y379-H382 PolarHBondContact O-N 2.97Å; Q380-H382 PolarHBondContact O-N 3.43Å; H382-K386 PolarHBondContact CE1-NZ 3.07Å; H382-K386 VanDerWaalsContact CE1-NZ 3.28Å; H382-K386 WeakPolarHBondContact NE2-CE 3.43Å; H382-K386 PolarHBondContact NE2-NZ 3.04Å; H382-K386 VanDerWaalsContact NE2-NZ 3.15Å; H382-K386 PolarHBondContact O-N 3.38Å; H382-K386 VanDerWaalsContact O-N 3.1Å |
| 383 | L | 91.1 | Very high | 87.6 | Confident | 59 Ų | 59 | 72.1 Ų | 72.1 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.9 | -49.7 | 172.9 | -176.6 | 60.2 | 0 | 0 | 0 | 110.5 | L259 Y379 Q380 K385 K386 T387 | L259-L383 HydrophobicContact CD2-CD2 4.47Å; L259-L383 HydrophobicContact CD2-CG 4.1Å; Y379-L383 HydrophobicContact CE1-CD2 4.29Å; Y379-L383 WeakPolarHBondContact O-CB 3.38Å; Y379-L383 PolarHBondContact O-N 2.96Å; Q380-L383 PolarHBondContact O-N 2.87Å; L383-K385 VanDerWaalsContact C-N 3.32Å; L383-K385 PolarHBondContact O-N 3.33Å; L383-K386 PolarHBondContact O-N 2.75Å; L383-K386 VanDerWaalsContact O-N 3.09Å; L383-T387 WeakPolarHBondContact O-CB 3.5Å; L383-T387 PolarHBondContact O-N 2.93Å; L383-T387 PolarHBondContact O-OG1 3.44Å |
| 384 | L | 91.8 | Very high | 88.1 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.1 | -45.1 | 174.5 | 179.7 | 59.2 | 0 | 0 | 0 | 111.8 | L259 L263 L364 K365 V368 Q380 K386 T387 L388 F405 | L259-L384 HydrophobicContact CD2-CB 3.9Å; L259-L384 HydrophobicContact CD2-CD1 4.05Å; L263-L384 HydrophobicContact CD2-CD1 4Å; L364-L384 HydrophobicContact CB-CD2 4.27Å; K365-L384 HydrophobicContact CG-CD2 4.05Å; V368-L384 HydrophobicContact CG2-CD1 4.35Å; V368-L384 HydrophobicContact CG2-CD2 4.28Å; Q380-L384 WeakPolarHBondContact O-CB 3.08Å; Q380-L384 PolarHBondContact O-N 3.28Å; L384-K386 PolarHBondContact O-N 2.76Å; L384-T387 PolarHBondContact O-N 2.81Å; L384-L388 HydrophobicContact CD1-CD1 4.33Å; L384-L388 HydrophobicContact CD1-CD2 4.44Å; L384-L388 HydrophobicContact CD1-CG 4.09Å; L384-L388 HydrophobicContact CG-CD1 4.44Å; L384-L388 WeakPolarHBondContact O-CG 3.48Å; L384-L388 PolarHBondContact O-N 2.96Å; L384-F405 HydrophobicContact CB-CZ 4.38Å; L384-F405 HydrophobicContact CD2-CE2 4.47Å; L384-F405 HydrophobicContact CD2-CZ 4.25Å; L384-F405 HydrophobicContact CG-CE2 4.08Å; L384-F405 HydrophobicContact CG-CZ 4.16Å |
| 385 | K | 92.8 | Very high | 89.1 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 39% | 0.387 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.8 | -46.4 | 174.5 | -178.9 | 169.4 | -178.7 | 175.9 | 0 | 112.7 | M381 L383 Q389 F405 | M381-K385 PolarHBondContact O-N 2.87Å; M381-K385 VanDerWaalsContact O-N 3.08Å; L383-K385 VanDerWaalsContact C-N 3.32Å; L383-K385 PolarHBondContact O-N 3.33Å; K385-Q389 WeakPolarHBondContact O-CG 3.37Å; K385-Q389 PolarHBondContact O-N 2.89Å; K385-F405 VanDerWaalsContact CA-CE2 3.43Å; K385-F405 HydrophobicContact CB-CD1 3.95Å; K385-F405 HydrophobicContact CB-CD2 3.72Å; K385-F405 HydrophobicContact CB-CE1 3.95Å; K385-F405 HydrophobicContact CB-CE2 3.74Å; K385-F405 HydrophobicContact CB-CG 3.83Å; K385-F405 HydrophobicContact CB-CZ 3.85Å; K385-F405 HydrophobicContact CD-CB 3.82Å; K385-F405 HydrophobicContact CD-CD1 3.83Å; K385-F405 HydrophobicContact CD-CD2 4.49Å; K385-F405 HydrophobicContact CD-CG 3.8Å; K385-F405 HydrophobicContact CG-CB 3.89Å; K385-F405 HydrophobicContact CG-CD1 4.05Å; K385-F405 HydrophobicContact CG-CD2 3.86Å; K385-F405 HydrophobicContact CG-CE2 4.4Å; K385-F405 HydrophobicContact CG-CG 3.66Å |
| 386 | K | 92.8 | Very high | 90 | Very high | 117 Ų | 117 | 64.8 Ų | 64.8 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 177.4 | -78.9 | 176.1 | 167.8 | 168.6 | 0 | 112.5 | H382 L383 L384 K390 | H382-K386 PolarHBondContact CE1-NZ 3.07Å; H382-K386 VanDerWaalsContact CE1-NZ 3.28Å; H382-K386 WeakPolarHBondContact NE2-CE 3.43Å; H382-K386 PolarHBondContact NE2-NZ 3.04Å; H382-K386 VanDerWaalsContact NE2-NZ 3.15Å; H382-K386 PolarHBondContact O-N 3.38Å; H382-K386 VanDerWaalsContact O-N 3.1Å; L383-K386 PolarHBondContact O-N 2.75Å; L383-K386 VanDerWaalsContact O-N 3.09Å; L384-K386 PolarHBondContact O-N 2.76Å; K386-K390 WeakPolarHBondContact O-CB 3.42Å; K386-K390 PolarHBondContact O-N 3.41Å |
| 387 | T | 92.3 | Very high | 90.7 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.1 | -50.2 | 178 | -66.1 | 0 | 0 | 0 | 0 | 111.3 | L259 E260 L263 L383 L384 Q389 K390 C391 | L259-T387 HydrophobicContact CB-CG2 4.32Å; L259-T387 HydrophobicContact CG-CG2 4.2Å; E260-T387 HydrophobicContact CB-CG2 4.38Å; E260-T387 HydrophobicContact CG-CG2 3.68Å; L263-T387 HydrophobicContact CD1-CG2 3.61Å; L263-T387 HydrophobicContact CG-CG2 4.44Å; L383-T387 WeakPolarHBondContact O-CB 3.5Å; L383-T387 PolarHBondContact O-N 2.93Å; L383-T387 PolarHBondContact O-OG1 3.44Å; L384-T387 PolarHBondContact O-N 2.81Å; T387-Q389 PolarHBondContact O-N 3.39Å; T387-K390 WeakPolarHBondContact O-CB 3.44Å; T387-K390 PolarHBondContact O-N 3.4Å; T387-K390 VanDerWaalsContact O-N 3.08Å; T387-C391 PolarHBondContact O-N 3.39Å; T387-C391 PolarHBondContact O-SG 2.66Å |
| 388 | L | 92.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.8 | -48.3 | 177.2 | -67.3 | -179.1 | 0 | 0 | 0 | 111.4 | L263 T361 L364 L384 K390 C391 E392 L397 F405 F409 | L263-L388 HydrophobicContact CD1-CD2 3.68Å; L263-L388 HydrophobicContact CD2-CD2 4.16Å; T361-L388 HydrophobicContact CG2-CD1 4.33Å; L364-L388 HydrophobicContact CD1-CD1 4.29Å; L364-L388 HydrophobicContact CD1-CD2 4.19Å; L384-L388 HydrophobicContact CD1-CD1 4.33Å; L384-L388 HydrophobicContact CD1-CD2 4.44Å; L384-L388 HydrophobicContact CD1-CG 4.09Å; L384-L388 HydrophobicContact CG-CD1 4.44Å; L384-L388 WeakPolarHBondContact O-CG 3.48Å; L384-L388 PolarHBondContact O-N 2.96Å; L388-K390 PolarHBondContact O-N 2.86Å; L388-C391 PolarHBondContact O-N 2.91Å; L388-C391 VanDerWaalsContact O-N 3.11Å; L388-E392 VanDerWaalsContact O-CB 3.3Å; L388-E392 WeakPolarHBondContact O-CB 3.48Å; L388-E392 PolarHBondContact O-N 3.04Å; L388-L397 HydrophobicContact CD2-CD2 3.45Å; L388-L397 VanDerWaalsContact CD2-CD2 3.45Å; L388-F405 HydrophobicContact CD1-CD2 4.18Å; L388-F405 HydrophobicContact CD1-CE2 3.91Å; L388-F409 HydrophobicContact CD1-CD2 4.32Å; L388-F409 HydrophobicContact CD1-CE2 4.13Å; L388-F409 HydrophobicContact CD1-CZ 4.4Å |
| 389 | Q | 92.5 | Very high | 91.2 | Very high | 68 Ų | 68 | 57.4 Ų | 57.4 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.6 | -28.6 | 176.8 | -72.9 | -176.1 | -19.7 | 0 | 0 | 113.9 | K385 T387 K393 | K385-Q389 WeakPolarHBondContact O-CG 3.37Å; K385-Q389 PolarHBondContact O-N 2.89Å; T387-Q389 PolarHBondContact O-N 3.39Å; Q389-K393 WeakPolarHBondContact O-CB 3.48Å; Q389-K393 VanDerWaalsContact O-CD 3.29Å; Q389-K393 WeakPolarHBondContact O-CD 3.38Å; Q389-K393 WeakPolarHBondContact O-CG 3.38Å; Q389-K393 PolarHBondContact O-N 2.69Å |
| 390 | K | 91.9 | Very high | 91.5 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 38% | 0.378 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -75.1 | -42.4 | 173.8 | 179.2 | -175.8 | 172.6 | -172.9 | 0 | 111 | E260 K386 T387 L388 K393 N394 | E260-K390 WeakPolarHBondContact OE1-CD 3.25Å; E260-K390 WeakPolarHBondContact OE1-CE 3.39Å; E260-K390 IonicContact OE1-NZ 3.28Å; E260-K390 PolarHBondContact OE1-NZ 3.01Å; E260-K390 IonicContact OE2-NZ 3.66Å; E260-K390 PolarHBondContact OE2-NZ 3.09Å; K386-K390 WeakPolarHBondContact O-CB 3.42Å; K386-K390 PolarHBondContact O-N 3.41Å; T387-K390 WeakPolarHBondContact O-CB 3.44Å; T387-K390 PolarHBondContact O-N 3.4Å; T387-K390 VanDerWaalsContact O-N 3.08Å; L388-K390 PolarHBondContact O-N 2.86Å; K390-K393 PolarHBondContact O-N 2.84Å; K390-N394 WeakPolarHBondContact O-CB 3.41Å; K390-N394 PolarHBondContact O-N 3.11Å; K390-N394 PolarHBondContact O-ND2 2.84Å; K390-N394 PolarHBondContact O-OD1 2.92Å |
| 391 | C | 91.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 177.5 | -62.4 | 0 | 0 | 0 | 0 | 112 | T387 L388 N394 G395 W396 L397 | T387-C391 PolarHBondContact O-N 3.39Å; T387-C391 PolarHBondContact O-SG 2.66Å; L388-C391 PolarHBondContact O-N 2.91Å; L388-C391 VanDerWaalsContact O-N 3.11Å; C391-N394 PolarHBondContact O-N 3.08Å; C391-G395 PolarHBondContact O-N 2.95Å; C391-G395 VanDerWaalsContact O-N 3.14Å; C391-W396 HydrophobicContact CB-CB 4.13Å; C391-W396 HydrophobicContact CB-CE3 4.31Å; C391-W396 WeakPolarHBondContact O-CB 3.31Å; C391-W396 PolarHBondContact O-N 3.17Å; C391-L397 HydrophobicContact CB-CB 4.04Å; C391-L397 HydrophobicContact CB-CD1 3.92Å; C391-L397 HydrophobicContact CB-CD2 4.33Å; C391-L397 HydrophobicContact CB-CG 4.32Å; C391-L397 PolarHBondContact O-N 3.42Å |
| 392 | E | 91.4 | Very high | 91.6 | Very high | 75 Ų | 75 | 56.1 Ų | 56.1 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -53.2 | -55.7 | 171.3 | -177.5 | -163.8 | 169.8 | 0 | 0 | 111 | L388 N394 G395 L397 | L388-E392 VanDerWaalsContact O-CB 3.3Å; L388-E392 WeakPolarHBondContact O-CB 3.48Å; L388-E392 PolarHBondContact O-N 3.04Å; E392-N394 PolarHBondContact O-N 3.34Å; E392-G395 WeakPolarHBondContact O-CA 3.28Å; E392-G395 PolarHBondContact O-N 2.91Å; E392-L397 WeakPolarHBondContact CA-O 3.49Å |
| 393 | K | 90.6 | Very high | 91.3 | Very high | 139 Ų | 139 | 60.7 Ų | 60.7 | 60% | 0.604 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.3 | -26.6 | 178.7 | -72.5 | 169.8 | -173.3 | 174.2 | 0 | 114 | V131 Q389 K390 G395 | V131-K393 WeakPolarHBondContact CG1-O 3.26Å; Q389-K393 WeakPolarHBondContact O-CB 3.48Å; Q389-K393 VanDerWaalsContact O-CD 3.29Å; Q389-K393 WeakPolarHBondContact O-CD 3.38Å; Q389-K393 WeakPolarHBondContact O-CG 3.38Å; Q389-K393 PolarHBondContact O-N 2.69Å; K390-K393 PolarHBondContact O-N 2.84Å; K393-G395 VanDerWaalsContact C-N 3.31Å |
| 394 | N | 88.7 | Confident | 90.9 | Very high | 45 Ų | 45 | 59.3 Ų | 59.3 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -80.3 | -12 | 173.5 | -70.7 | -10.9 | 0 | 0 | 0 | 113.2 | K133 T134 K390 C391 E392 W396 | K133-N394 WeakPolarHBondContact CA-O 3.46Å; T134-N394 PolarHBondContact N-O 3.34Å; K390-N394 WeakPolarHBondContact O-CB 3.41Å; K390-N394 PolarHBondContact O-N 3.11Å; K390-N394 PolarHBondContact O-ND2 2.84Å; K390-N394 PolarHBondContact O-OD1 2.92Å; C391-N394 PolarHBondContact O-N 3.08Å; E392-N394 PolarHBondContact O-N 3.34Å; N394-W396 HydrophobicContact CB-CD2 3.76Å; N394-W396 HydrophobicContact CB-CG 3.8Å; N394-W396 HydrophobicContact CB-CZ2 4.28Å; N394-W396 WeakPolarHBondContact ND2-CH2 3.31Å; N394-W396 VanDerWaalsContact ND2-CZ2 3.34Å; N394-W396 WeakPolarHBondContact ND2-CZ2 3.43Å |
| 395 | G | 89.8 | Confident | 90.6 | Very high | 10 Ų | 10 | 61 Ų | 61 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 28.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | C391 E392 K393 S412 F413 | C391-G395 PolarHBondContact O-N 2.95Å; C391-G395 VanDerWaalsContact O-N 3.14Å; E392-G395 WeakPolarHBondContact O-CA 3.28Å; E392-G395 PolarHBondContact O-N 2.91Å; K393-G395 VanDerWaalsContact C-N 3.31Å; G395-S412 WeakPolarHBondContact O-CB 3.23Å; G395-F413 VanDerWaalsContact O-CE2 3.27Å; G395-F413 WeakPolarHBondContact O-CE2 3.47Å |
| 396 | W | 91.4 | Very high | 90.4 | Very high | 34 Ų | 34 | 59.2 Ų | 59.2 | 13% | 0.129 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -90.8 | -34.6 | 177.5 | -61.1 | -9 | 0 | 0 | 0 | 112.7 | T134 P136 W138 C391 N394 S412 | T134-W396 PolarHBondContact O-NE1 3.32Å; P136-W396 HydrophobicContact CB-CD2 3.77Å; P136-W396 HydrophobicContact CB-CE3 4.25Å; P136-W396 HydrophobicContact CB-CG 4.01Å; P136-W396 HydrophobicContact CB-CZ2 4.15Å; P136-W396 HydrophobicContact CG-CB 4.43Å; P136-W396 HydrophobicContact CG-CD2 4.28Å; P136-W396 HydrophobicContact CG-CG 3.97Å; W138-W396 HydrophobicContact CZ2-CB 4.31Å; C391-W396 HydrophobicContact CB-CB 4.13Å; C391-W396 HydrophobicContact CB-CE3 4.31Å; C391-W396 WeakPolarHBondContact O-CB 3.31Å; C391-W396 PolarHBondContact O-N 3.17Å; N394-W396 HydrophobicContact CB-CD2 3.76Å; N394-W396 HydrophobicContact CB-CG 3.8Å; N394-W396 HydrophobicContact CB-CZ2 4.28Å; N394-W396 WeakPolarHBondContact ND2-CH2 3.31Å; N394-W396 VanDerWaalsContact ND2-CZ2 3.34Å; N394-W396 WeakPolarHBondContact ND2-CZ2 3.43Å; W396-S412 WeakPolarHBondContact O-CB 3.38Å; W396-S412 PolarHBondContact O-N 3.36Å |
| 397 | L | 93.1 | Very high | 90.4 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 155.2 | 175.4 | -95 | 68.8 | 0 | 0 | 0 | 108.8 | L263 F267 L388 C391 E392 F409 Q410 L411 S412 | L263-L397 HydrophobicContact CD1-CD2 4.35Å; F267-L397 HydrophobicContact CE2-CD2 3.82Å; F267-L397 HydrophobicContact CZ-CD2 3.62Å; F267-L397 HydrophobicContact CZ-CG 4.13Å; L388-L397 HydrophobicContact CD2-CD2 3.45Å; L388-L397 VanDerWaalsContact CD2-CD2 3.45Å; C391-L397 HydrophobicContact CB-CB 4.04Å; C391-L397 HydrophobicContact CB-CD1 3.92Å; C391-L397 HydrophobicContact CB-CD2 4.33Å; C391-L397 HydrophobicContact CB-CG 4.32Å; C391-L397 PolarHBondContact O-N 3.42Å; E392-L397 WeakPolarHBondContact CA-O 3.49Å; L397-F409 HydrophobicContact CD2-CB 4.33Å; L397-F409 HydrophobicContact CD2-CD1 4.35Å; L397-Q410 CarbonylContact C-O 3.55Å; L397-Q410 VanDerWaalsContact CA-O 3.25Å; L397-Q410 WeakPolarHBondContact CA-O 3.21Å; L397-L411 HydrophobicContact CD1-CD2 3.56Å; L397-L411 HydrophobicContact CG-CD2 4.1Å; L397-S412 VanDerWaalsContact C-OG 3.28Å |
| 398 | E | 92.3 | Very high | 90.4 | Very high | 95 Ų | 95 | 56.9 Ų | 56.9 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 134.8 | 178.3 | -164.7 | 152 | -178.8 | 0 | 0 | 109 | I400 F409 Q410 | E398-I400 HydrophobicContact CB-CD1 4.41Å; E398-I400 HydrophobicContact CG-CD1 4.17Å; E398-F409 CarbonylContact O-C 3.48Å; E398-F409 WeakPolarHBondContact O-CA 3.28Å; E398-Q410 PolarHBondContact N-O 2.9Å; E398-Q410 PolarHBondContact O-N 2.97Å |
| 399 | Q | 93.5 | Very high | 90.5 | Very high | 49 Ų | 49 | 57 Ų | 57 | 23% | 0.229 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 110.1 | 175.3 | -179.6 | 157.7 | 43.4 | 0 | 0 | 108.4 | S401 G404 S406 F409 | Q399-S401 WeakPolarHBondContact CG-O 3.26Å; Q399-S401 PolarHBondContact NE2-O 2.75Å; Q399-G404 PolarHBondContact NE2-O 3Å; Q399-S406 PolarHBondContact NE2-O 3.11Å; Q399-F409 HydrophobicContact CB-CD1 4.11Å; Q399-F409 HydrophobicContact CB-CE1 3.76Å; Q399-F409 HydrophobicContact CB-CZ 4.13Å; Q399-F409 HydrophobicContact CG-CE1 4.24Å; Q399-F409 HydrophobicContact CG-CE2 4.46Å; Q399-F409 HydrophobicContact CG-CZ 4.11Å |
| 400 | I | 93.1 | Very high | 90.6 | Very high | 93 Ų | 93 | 56.1 Ų | 56.1 | 48% | 0.477 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -33 | -177.7 | -55.6 | -58.5 | 0 | 0 | 0 | 110.8 | E398 T408 Q410 | E398-I400 HydrophobicContact CB-CD1 4.41Å; E398-I400 HydrophobicContact CG-CD1 4.17Å; I400-T408 PolarHBondContact N-O 3.29Å; I400-Q410 HydrophobicContact CD1-CB 3.93Å; I400-Q410 HydrophobicContact CG1-CB 3.63Å |
| 401 | S | 92.4 | Very high | 90.6 | Very high | 69 Ų | 69 | 52.6 Ų | 52.6 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 163.1 | 176.9 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | Q399 G407 T408 | Q399-S401 WeakPolarHBondContact CG-O 3.26Å; Q399-S401 PolarHBondContact NE2-O 2.75Å; S401-G407 CarbonylContact O-C 3.59Å; S401-G407 WeakPolarHBondContact O-CA 3.46Å; S401-T408 WeakPolarHBondContact CB-OG1 3.32Å; S401-T408 PolarHBondContact N-O 2.93Å; S401-T408 PolarHBondContact N-OG1 3.2Å; S401-T408 PolarHBondContact O-N 2.92Å |
| 402 | G | 86.8 | Confident | 90.6 | Very high | 39 Ų | 39 | 54.1 Ų | 54.1 | 40% | 0.402 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 83.5 | -177.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 403 | K | 85.4 | Confident | 90.6 | Very high | 191 Ų | 191 | 52 Ų | 52 | 83% | 0.83 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -135.4 | 111.7 | -178.8 | -166.4 | 68.8 | 172.3 | -175.2 | 0 | 110.2 | F405 S406 | K403-F405 PolarHBondContact O-N 2.93Å; K403-S406 PolarHBondContact N-OG 2.77Å; K403-S406 VanDerWaalsContact N-OG 3.15Å; K403-S406 PolarHBondContact O-OG 3Å |
| 404 | G | 82.9 | Confident | 90.6 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 73.4 | -121 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | Q399 S406 | Q399-G404 PolarHBondContact NE2-O 3Å; G404-S406 VanDerWaalsContact C-N 3.29Å; G404-S406 PolarHBondContact O-N 2.83Å |
| 405 | F | 85.3 | Confident | 90.7 | Very high | 37 Ų | 37 | 46 Ų | 46 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -93 | 46.8 | -171.8 | -169.1 | -125.1 | 0 | 0 | 0 | 113.9 | K365 M381 L384 K385 L388 K403 | K365-F405 VanDerWaalsContact CE-CE1 3.49Å; M381-F405 HydrophobicContact CG-CE1 4.11Å; M381-F405 HydrophobicContact SD-CE1 3.66Å; M381-F405 HydrophobicContact SD-CZ 3.89Å; L384-F405 HydrophobicContact CB-CZ 4.38Å; L384-F405 HydrophobicContact CD2-CE2 4.47Å; L384-F405 HydrophobicContact CD2-CZ 4.25Å; L384-F405 HydrophobicContact CG-CE2 4.08Å; L384-F405 HydrophobicContact CG-CZ 4.16Å; K385-F405 VanDerWaalsContact CA-CE2 3.43Å; K385-F405 HydrophobicContact CB-CD1 3.95Å; K385-F405 HydrophobicContact CB-CD2 3.72Å; K385-F405 HydrophobicContact CB-CE1 3.95Å; K385-F405 HydrophobicContact CB-CE2 3.74Å; K385-F405 HydrophobicContact CB-CG 3.83Å; K385-F405 HydrophobicContact CB-CZ 3.85Å; K385-F405 HydrophobicContact CD-CB 3.82Å; K385-F405 HydrophobicContact CD-CD1 3.83Å; K385-F405 HydrophobicContact CD-CD2 4.49Å; K385-F405 HydrophobicContact CD-CG 3.8Å; K385-F405 HydrophobicContact CG-CB 3.89Å; K385-F405 HydrophobicContact CG-CD1 4.05Å; K385-F405 HydrophobicContact CG-CD2 3.86Å; K385-F405 HydrophobicContact CG-CE2 4.4Å; K385-F405 HydrophobicContact CG-CG 3.66Å; L388-F405 HydrophobicContact CD1-CD2 4.18Å; L388-F405 HydrophobicContact CD1-CE2 3.91Å; K403-F405 PolarHBondContact O-N 2.93Å |
| 406 | S | 88.5 | Confident | 90.8 | Very high | 52 Ų | 52 | 47.9 Ų | 47.9 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -145.8 | 174.5 | -179.6 | 62.7 | 0 | 0 | 0 | 0 | 111 | Q399 K403 G404 | Q399-S406 PolarHBondContact NE2-O 3.11Å; K403-S406 PolarHBondContact N-OG 2.77Å; K403-S406 VanDerWaalsContact N-OG 3.15Å; K403-S406 PolarHBondContact O-OG 3Å; G404-S406 VanDerWaalsContact C-N 3.29Å; G404-S406 PolarHBondContact O-N 2.83Å |
| 407 | G | 91 | Very high | 90.9 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 70.7 | -145.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T361 S401 | T361-G407 WeakPolarHBondContact CG2-O 3.46Å; T361-G407 PolarHBondContact N-O 2.82Å; T361-G407 PolarHBondContact OG1-N 3.05Å; T361-G407 PolarHBondContact OG1-O 3.02Å; S401-G407 CarbonylContact O-C 3.59Å; S401-G407 WeakPolarHBondContact O-CA 3.46Å |
| 408 | T | 93.9 | Very high | 90.8 | Very high | 46 Ų | 46 | 48.1 Ų | 48.1 | 28% | 0.282 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 145.6 | -171.5 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | C359 I400 S401 | C359-T408 WeakPolarHBondContact O-CA 3.29Å; I400-T408 PolarHBondContact N-O 3.29Å; S401-T408 WeakPolarHBondContact CB-OG1 3.32Å; S401-T408 PolarHBondContact N-O 2.93Å; S401-T408 PolarHBondContact N-OG1 3.2Å; S401-T408 PolarHBondContact O-N 2.92Å |
| 409 | F | 94.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 162.2 | 175.1 | -73.5 | -99.5 | 0 | 0 | 0 | 109.9 | F267 T358 C359 T361 L388 L397 E398 Q399 | F267-F409 HydrophobicContact CE1-CB 4.13Å; F267-F409 WeakPolarHBondContact CE1-O 3.21Å; F267-F409 HydrophobicContact CZ-CB 3.71Å; T358-F409 CarbonylContact C-O 3.46Å; T358-F409 VanDerWaalsContact CA-O 3.31Å; T358-F409 WeakPolarHBondContact CA-O 3.48Å; C359-F409 PolarHBondContact N-O 3.25Å; C359-F409 PolarHBondContact O-N 3.38Å; T361-F409 HydrophobicContact CG2-CD2 3.7Å; T361-F409 HydrophobicContact CG2-CE2 3.48Å; T361-F409 VanDerWaalsContact CG2-CE2 3.48Å; L388-F409 HydrophobicContact CD1-CD2 4.32Å; L388-F409 HydrophobicContact CD1-CE2 4.13Å; L388-F409 HydrophobicContact CD1-CZ 4.4Å; L397-F409 HydrophobicContact CD2-CB 4.33Å; L397-F409 HydrophobicContact CD2-CD1 4.35Å; E398-F409 CarbonylContact O-C 3.48Å; E398-F409 WeakPolarHBondContact O-CA 3.28Å; Q399-F409 HydrophobicContact CB-CD1 4.11Å; Q399-F409 HydrophobicContact CB-CE1 3.76Å; Q399-F409 HydrophobicContact CB-CZ 4.13Å; Q399-F409 HydrophobicContact CG-CE1 4.24Å; Q399-F409 HydrophobicContact CG-CE2 4.46Å; Q399-F409 HydrophobicContact CG-CZ 4.11Å |
| 410 | Q | 94.1 | Very high | 90.3 | Very high | 51 Ų | 51 | 44.7 Ų | 44.7 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 147.3 | 175.2 | -179.5 | 172.5 | -39.6 | 0 | 0 | 110.2 | P356 K357 T358 L397 E398 I400 | P356-Q410 HydrophobicContact CB-CG 4.35Å; K357-Q410 WeakPolarHBondContact O-CA 3.41Å; T358-Q410 HydrophobicContact CG2-CB 4.17Å; T358-Q410 HydrophobicContact CG2-CG 4.09Å; L397-Q410 CarbonylContact C-O 3.55Å; L397-Q410 VanDerWaalsContact CA-O 3.25Å; L397-Q410 WeakPolarHBondContact CA-O 3.21Å; E398-Q410 PolarHBondContact N-O 2.9Å; E398-Q410 PolarHBondContact O-N 2.97Å; I400-Q410 HydrophobicContact CD1-CB 3.93Å; I400-Q410 HydrophobicContact CG1-CB 3.63Å |
| 411 | L | 93.1 | Very high | 90.1 | Very high | 12 Ų | 12 | 43.2 Ų | 43.2 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 123.8 | 169.4 | -57.9 | -174.2 | 0 | 0 | 0 | 110.1 | W138 P264 F267 K357 L397 F413 | W138-L411 HydrophobicContact CH2-CB 4.38Å; W138-L411 HydrophobicContact CH2-CD1 4.41Å; W138-L411 HydrophobicContact CH2-CD2 4.16Å; W138-L411 HydrophobicContact CZ3-CD1 4.36Å; P264-L411 HydrophobicContact CB-CD1 4.28Å; F267-L411 HydrophobicContact CB-CD1 3.99Å; F267-L411 HydrophobicContact CB-CD2 4.15Å; F267-L411 HydrophobicContact CB-CG 4.04Å; F267-L411 HydrophobicContact CD1-CD2 3.84Å; F267-L411 HydrophobicContact CD1-CG 3.81Å; F267-L411 HydrophobicContact CD2-CD2 3.92Å; F267-L411 HydrophobicContact CE1-CD2 4.11Å; F267-L411 HydrophobicContact CE1-CG 4.36Å; F267-L411 HydrophobicContact CE2-CD2 4.19Å; F267-L411 HydrophobicContact CG-CD1 4.41Å; F267-L411 HydrophobicContact CG-CD2 3.71Å; F267-L411 HydrophobicContact CG-CG 3.93Å; F267-L411 HydrophobicContact CZ-CD2 4.27Å; K357-L411 HydrophobicContact CB-CB 4.41Å; K357-L411 HydrophobicContact CB-CD1 3.94Å; K357-L411 HydrophobicContact CB-CG 4.07Å; K357-L411 HydrophobicContact CD-CD1 3.95Å; K357-L411 PolarHBondContact O-N 2.76Å; L397-L411 HydrophobicContact CD1-CD2 3.56Å; L397-L411 HydrophobicContact CG-CD2 4.1Å; L411-F413 PolarHBondContact O-N 2.86Å |
| 412 | S | 90.9 | Very high | 89.8 | Confident | 35 Ų | 35 | 40 Ų | 40 | 25% | 0.245 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -80.1 | -0.8 | 177.4 | -50.8 | 0 | 0 | 0 | 0 | 113.7 | G395 W396 L397 | G395-S412 WeakPolarHBondContact O-CB 3.23Å; W396-S412 WeakPolarHBondContact O-CB 3.38Å; W396-S412 PolarHBondContact O-N 3.36Å; L397-S412 VanDerWaalsContact C-OG 3.28Å |
| 413 | F | 90.4 | Very high | 89.6 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 13% | 0.132 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -135.8 | 141.6 | 178.4 | -71.5 | -81.8 | 0 | 0 | 0 | 110.4 | I135 P136 W138 A139 L141 G395 L411 | I135-F413 HydrophobicContact CG2-CE1 4.32Å; P136-F413 VanDerWaalsContact CD-CD2 3.42Å; P136-F413 VanDerWaalsContact CD-CE2 3.46Å; P136-F413 HydrophobicContact CG-CB 4.5Å; P136-F413 HydrophobicContact CG-CD2 3.77Å; P136-F413 HydrophobicContact CG-CE2 4.25Å; P136-F413 HydrophobicContact CG-CG 4.24Å; W138-F413 HydrophobicContact CH2-CB 4.16Å; W138-F413 HydrophobicContact CZ3-CB 3.99Å; A139-F413 HydrophobicContact CB-CB 3.8Å; A139-F413 HydrophobicContact CB-CD1 4.26Å; A139-F413 HydrophobicContact CB-CG 4.13Å; L141-F413 HydrophobicContact CD1-CD1 3.94Å; L141-F413 HydrophobicContact CD1-CE1 4.14Å; L141-F413 HydrophobicContact CG-CD1 4.41Å; G395-F413 VanDerWaalsContact O-CE2 3.27Å; G395-F413 WeakPolarHBondContact O-CE2 3.47Å; L411-F413 PolarHBondContact O-N 2.86Å |
| 414 | P | 90.7 | Very high | 89.4 | Confident | 29 Ų | 29 | 35.7 Ų | 35.7 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | trans | -53.7 | 142.9 | 170.6 | -30.8 | 38.1 | 0 | 0 | 0 | 113.3 | A139 T140 L141 E355 Y416 | A139-P414 CarbonylContact C-O 3.54Å; A139-P414 WeakPolarHBondContact CA-O 3.35Å; T140-P414 PolarHBondContact N-O 2.74Å; L141-P414 HydrophobicContact CD2-CG 4.15Å; E355-P414 WeakPolarHBondContact OE1-CA 3.45Å; E355-P414 VanDerWaalsContact OE1-CB 3.27Å; E355-P414 WeakPolarHBondContact OE1-CB 3.36Å; P414-Y416 HydrophobicContact CB-CE1 4.49Å; P414-Y416 HydrophobicContact CB-CE2 4.03Å | ||
| 415 | Y | 92.2 | Very high | 88.8 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | trans | -142.3 | 118.3 | 173.7 | -178.9 | -122.3 | 0 | 0 | 0 | 109.1 | W138 T140 P264 L265 T268 K357 P417 | W138-Y415 HydrophobicContact CB-CD2 4.32Å; W138-Y415 HydrophobicContact CB-CE2 4.16Å; W138-Y415 HydrophobicContact CE3-CD2 4.08Å; W138-Y415 HydrophobicContact CE3-CG 4.26Å; W138-Y415 VanDerWaalsContact O-CD2 3.31Å; W138-Y415 WeakPolarHBondContact O-CD2 3.22Å; T140-Y415 WeakPolarHBondContact OG1-CA 3.4Å; P264-Y415 VanDerWaalsContact C-CE1 3.44Å; P264-Y415 HydrophobicContact CB-CD1 3.42Å; P264-Y415 VanDerWaalsContact CB-CD1 3.42Å; P264-Y415 HydrophobicContact CB-CD2 4.11Å; P264-Y415 HydrophobicContact CB-CE1 3.55Å; P264-Y415 HydrophobicContact CB-CE2 4.2Å; P264-Y415 HydrophobicContact CB-CG 3.72Å; P264-Y415 WeakPolarHBondContact O-CD1 3.48Å; L265-Y415 HydrophobicContact CB-CE1 4.42Å; T268-Y415 WeakPolarHBondContact OG1-CD1 3.34Å; K357-Y415 WeakPolarHBondContact CE-O 3.42Å; K357-Y415 PolarHBondContact NZ-O 2.89Å; Y415-P417 HydrophobicContact CD1-CG 4.11Å; Y415-P417 HydrophobicContact CE1-CB 3.83Å; Y415-P417 HydrophobicContact CE1-CG 3.67Å; Y415-P417 HydrophobicContact CE2-CB 4.42Å | ||
| 416 | Y | 92.4 | Very high | 87.2 | Confident | 50 Ų | 50 | 51.6 Ų | 51.6 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | trans | -124.2 | 80.3 | 179.5 | -46.7 | -53.1 | 0 | 0 | 0 | 108.4 | T140 M353 E355 P414 | T140-Y416 HydrophobicContact CG2-CD2 3.77Å; T140-Y416 HydrophobicContact CG2-CG 4.33Å; T140-Y416 PolarHBondContact OG1-N 2.91Å; M353-Y416 HydrophobicContact CE-CD1 3.72Å; M353-Y416 HydrophobicContact CE-CD2 4.2Å; M353-Y416 HydrophobicContact CE-CE1 3.64Å; M353-Y416 HydrophobicContact CE-CE2 4.17Å; M353-Y416 HydrophobicContact CE-CG 3.99Å; M353-Y416 HydrophobicContact SD-CD1 3.4Å; M353-Y416 WeakPolarHBondContact SD-CD1 3.23Å; M353-Y416 HydrophobicContact SD-CD2 4.32Å; M353-Y416 HydrophobicContact SD-CE1 3.95Å; M353-Y416 HydrophobicContact SD-CG 3.6Å; E355-Y416 HydrophobicContact CG-CE1 4.36Å; E355-Y416 WeakPolarHBondContact OE1-CE1 3.08Å; E355-Y416 PolarHBondContact OE1-OH 3.41Å; P414-Y416 HydrophobicContact CB-CE1 4.49Å; P414-Y416 HydrophobicContact CB-CE2 4.03Å | ||
| 417 | P | 92.1 | Very high | 84.7 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.032 | 31% | 0.311 | C | S | . | . | trans | -63 | 146.5 | 179.5 | 23.5 | -31.6 | 0 | 0 | 0 | 111.5 | T268 Y284 Y415 V421 L422 | T268-P417 HydrophobicContact CG2-CG 4.07Å; Y284-P417 VanDerWaalsContact CE2-O 3.3Å; Y284-P417 WeakPolarHBondContact CE2-O 3.46Å; Y284-P417 PolarHBondContact OH-O 3.46Å; Y415-P417 HydrophobicContact CD1-CG 4.11Å; Y415-P417 HydrophobicContact CE1-CB 3.83Å; Y415-P417 HydrophobicContact CE1-CG 3.67Å; Y415-P417 HydrophobicContact CE2-CB 4.42Å; P417-V421 HydrophobicContact CB-CB 4.21Å; P417-V421 HydrophobicContact CB-CG1 4.01Å; P417-L422 HydrophobicContact CB-CD2 4.36Å; P417-L422 HydrophobicContact CB-CG 4.07Å; P417-L422 HydrophobicContact CG-CD1 4.12Å; P417-L422 HydrophobicContact CG-CD2 3.63Å; P417-L422 HydrophobicContact CG-CG 3.66Å | ||
| 418 | S | 90.9 | Very high | 82.1 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | trans | -71.1 | 161.7 | 175.8 | 61.6 | 0 | 0 | 0 | 0 | 112.1 | G420 V421 L422 | S418-G420 VanDerWaalsContact C-N 3.3Å; S418-G420 PolarHBondContact O-N 2.86Å; S418-V421 PolarHBondContact O-N 2.8Å; S418-L422 PolarHBondContact O-N 2.8Å | ||
| 419 | P | 89.4 | Confident | 79.3 | Confident | 20 Ų | 20 | 63.8 Ų | 63.8 | 13% | 0.13 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.3 | -38.9 | -177.8 | -28.3 | 35.7 | 0 | 0 | 0 | 114 | Y284 Y288 Y289 V421 L422 F423 | Y284-P419 HydrophobicContact CE1-CG 4.06Å; Y284-P419 WeakPolarHBondContact OH-CD 3.36Å; Y284-P419 WeakPolarHBondContact OH-CG 3.35Å; Y284-P419 VanDerWaalsContact OH-N 3.17Å; Y288-P419 HydrophobicContact CG-CG 4.15Å; Y289-P419 HydrophobicContact CD2-CG 4.45Å; Y289-P419 HydrophobicContact CE2-CB 4.37Å; Y289-P419 HydrophobicContact CE2-CG 3.51Å; Y289-P419 WeakPolarHBondContact OH-CB 3.47Å; Y289-P419 WeakPolarHBondContact OH-CG 3.37Å; P419-V421 VanDerWaalsContact C-N 3.27Å; P419-V421 PolarHBondContact O-N 3.4Å; P419-L422 CarbonylContact O-C 3.58Å; P419-L422 PolarHBondContact O-N 3.28Å; P419-F423 WeakPolarHBondContact O-CA 3.29Å; P419-F423 PolarHBondContact O-N 3.15Å |
| 420 | G | 86.2 | Confident | 76.6 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 54% | 0.536 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.9 | -19.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | S418 P424 | S418-G420 VanDerWaalsContact C-N 3.3Å; S418-G420 PolarHBondContact O-N 2.86Å; G420-P424 VanDerWaalsContact O-CA 3.29Å; G420-P424 WeakPolarHBondContact O-CA 3.46Å |
| 421 | V | 88.6 | Confident | 73.5 | Confident | 62 Ų | 62 | 69 Ų | 69 | 38% | 0.376 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -88 | -33.2 | 172.3 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | L265 P417 S418 P419 | L265-V421 HydrophobicContact CD1-CG1 4.19Å; L265-V421 HydrophobicContact CD2-CG1 4.1Å; P417-V421 HydrophobicContact CB-CB 4.21Å; P417-V421 HydrophobicContact CB-CG1 4.01Å; S418-V421 PolarHBondContact O-N 2.8Å; P419-V421 VanDerWaalsContact C-N 3.27Å; P419-V421 PolarHBondContact O-N 3.4Å |
| 422 | L | 85.6 | Confident | 71.1 | Confident | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.01 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -75.6 | -27.4 | 172.1 | -80.4 | -178.1 | 0 | 0 | 0 | 114 | L265 T268 R269 S348 A351 A352 P417 S418 P419 | L265-L422 HydrophobicContact CD1-CD2 4Å; T268-L422 HydrophobicContact CG2-CD2 3.77Å; R269-L422 PolarHBondContact NH1-O 2.95Å; R269-L422 PolarHBondContact NH2-O 3.05Å; S348-L422 WeakPolarHBondContact O-CD1 3.45Å; A351-L422 HydrophobicContact CB-CD1 4.08Å; A352-L422 HydrophobicContact CB-CD1 3.66Å; P417-L422 HydrophobicContact CB-CD2 4.36Å; P417-L422 HydrophobicContact CB-CG 4.07Å; P417-L422 HydrophobicContact CG-CD1 4.12Å; P417-L422 HydrophobicContact CG-CD2 3.63Å; P417-L422 HydrophobicContact CG-CG 3.66Å; S418-L422 PolarHBondContact O-N 2.8Å; P419-L422 CarbonylContact O-C 3.58Å; P419-L422 PolarHBondContact O-N 3.28Å |
| 423 | F | 83.4 | Confident | 68.3 | Low | 56 Ų | 56 | 81.4 Ų | 81.4 | 25% | 0.246 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -146.8 | 74.1 | -177.9 | -61.3 | -72.3 | 0 | 0 | 0 | 106.6 | Y344 L347 S348 P419 K425 | Y344-F423 HydrophobicContact CE2-CD2 4.15Å; Y344-F423 HydrophobicContact CE2-CG 4.26Å; Y344-F423 WeakPolarHBondContact OH-CB 3.46Å; L347-F423 HydrophobicContact CD2-CZ 4.03Å; L347-F423 HydrophobicContact CG-CZ 4.34Å; S348-F423 WeakPolarHBondContact OG-CE2 3.25Å; P419-F423 WeakPolarHBondContact O-CA 3.29Å; P419-F423 PolarHBondContact O-N 3.15Å; F423-K425 PolarHBondContact O-N 3.25Å; F423-K425 VanDerWaalsContact O-N 3.16Å |
| 424 | P | 80.5 | Confident | 65.8 | Low | 84 Ų | 84 | 89.1 Ų | 89.1 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | trans | -56.3 | 124.4 | 168.8 | 25 | -33.2 | 0 | 0 | 0 | 107.2 | G420 K426 | G420-P424 VanDerWaalsContact O-CA 3.29Å; G420-P424 WeakPolarHBondContact O-CA 3.46Å; P424-K426 PolarHBondContact O-N 3.3Å; P424-K426 VanDerWaalsContact O-N 3.11Å | ||
| 425 | K | 70.3 | Confident | 63.6 | Low | 199 Ų | 199 | 95.4 Ų | 95.4 | 87% | 0.865 | 55% | 0.547 | S | S | * | . | trans | -54.1 | 121.7 | 168 | -75.2 | -169.9 | 172.2 | -166.8 | 0 | 106.3 | F423 E427 | F423-K425 PolarHBondContact O-N 3.25Å; F423-K425 VanDerWaalsContact O-N 3.16Å; K425-E427 PolarHBondContact O-N 2.76Å | ||
| 426 | K | 52.2 | Low | 60.9 | Low | 201 Ų | 201 | 103.2 Ų | 103.2 | 87% | 0.874 | 58% | 0.584 | S | S | * | * | trans | -68.2 | 114.4 | 166.7 | -80.7 | -173.2 | 173.1 | -175.5 | 0 | 106.3 | P424 S428 | P424-K426 PolarHBondContact O-N 3.3Å; P424-K426 VanDerWaalsContact O-N 3.11Å; K426-S428 PolarHBondContact O-N 2.85Å | ||
| 427 | E | 37.2 | Very low | 58.6 | Low | 190 Ų | 190 | 108.3 Ų | 108.3 | 89% | 0.888 | 62% | 0.615 | S | S | * | * | trans | -72 | 79.9 | 167.4 | -70.9 | 174.1 | -157.4 | 0 | 0 | 108.6 | K425 G429 | K425-E427 PolarHBondContact O-N 2.76Å; E427-G429 VanDerWaalsContact C-N 3.33Å; E427-G429 PolarHBondContact O-N 3.49Å | ||
| 428 | S | 35.5 | Very low | 55.9 | Low | 110 Ų | 110 | 115.5 Ų | 115.5 | 77% | 0.769 | 65% | 0.653 | S | S | * | * | trans | -63.7 | 101.1 | 147.6 | 46.4 | 0 | 0 | 0 | 0 | 106.3 | K426 | K426-S428 PolarHBondContact O-N 2.85Š| ||
| 429 | G | 34.4 | Very low | 53.6 | Low | 80 Ų | 80 | 121.2 Ų | 121.2 | 83% | 0.825 | 68% | 0.681 | S | S | * | * | trans | -66.8 | 143 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E427 | E427-G429 VanDerWaalsContact C-N 3.33Å; E427-G429 PolarHBondContact O-N 3.49Å | ||
| 430 | G | 37.7 | Very low | 50.9 | Low | 74 Ų | 74 | 127.7 Ų | 127.7 | 76% | 0.763 | 71% | 0.714 | S | S | * | * | trans | 111.4 | 64.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 431 | S | 29.5 | Very low | 48.4 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 64% | 0.643 | 73% | 0.728 | S | S | * | * | -178.6 | 116 | 129.8 | -94.8 | 0 | 0 | 0 | 0 | 109.5 | D433 | S431-D433 WeakPolarHBondContact CB-OD2 3.09Å; S431-D433 PolarHBondContact OG-OD2 3.12Å | |||
| 432 | D | 42.3 | Very low | 45.9 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | trans | -83.7 | 107.8 | 139.3 | -81.9 | -51.1 | 0 | 0 | 0 | 103.8 | ||||
| 433 | D | 31.9 | Very low | 43.2 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | -135 | 151.6 | 167.4 | -79 | -67.2 | 0 | 0 | 0 | 107.5 | S431 | S431-D433 WeakPolarHBondContact CB-OD2 3.09Å; S431-D433 PolarHBondContact OG-OD2 3.12Å | ||
| 434 | E | 39.4 | Very low | 40.9 | Very low | 192 Ų | 192 | 146.6 Ų | 146.6 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | -94.3 | -170 | -150.4 | -57.7 | -171 | 131.2 | 0 | 0 | 113.7 | ||||
| 435 | D | 43.2 | Very low | 38.5 | Very low | 161 Ų | 161 | 152 Ų | 152 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -68.8 | 131.4 | 179 | -51.9 | -92.8 | 0 | 0 | 0 | 111.6 | ||||
| 436 | E | 36.2 | Very low | 36.7 | Very low | 192 Ų | 192 | 149.8 Ų | 149.8 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | trans | -132.6 | 130.8 | 160.1 | -107.3 | 169.9 | -179.4 | 0 | 0 | 108.9 | ||||
| 437 | D | 43.5 | Very low | 35.8 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | trans | -91.9 | 116.8 | 176 | -72.7 | -66.3 | 0 | 0 | 0 | 108.7 | D439 | D437-D439 PolarHBondContact O-N 2.7Š| ||
| 438 | D | 36.1 | Very low | 35.7 | Very low | 155 Ų | 155 | 145 Ų | 145 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | trans | -88.5 | 97.4 | 169.7 | -92.7 | -37.1 | 0 | 0 | 0 | 110.2 | D440 | D438-D440 PolarHBondContact O-N 3.01Š| ||
| 439 | D | 41.9 | Very low | 35.5 | Very low | 160 Ų | 160 | 147 Ų | 147 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | -82.7 | 82.2 | 158.7 | -83.5 | -44.6 | 0 | 0 | 0 | 108.6 | D437 D441 | D437-D439 PolarHBondContact O-N 2.7Å; D439-D441 PolarHBondContact O-N 3.09Å; D439-D441 VanDerWaalsContact O-N 3.1Å | ||
| 440 | D | 33.8 | Very low | 35.5 | Very low | 156 Ų | 156 | 152.4 Ų | 152.4 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | trans | -71.2 | 96.3 | 170.6 | -105.7 | -31.5 | 0 | 0 | 0 | 109.7 | D438 | D438-D440 PolarHBondContact O-N 3.01Š| ||
| 441 | D | 32.3 | Very low | 35.4 | Very low | 153 Ų | 153 | 156.7 Ų | 156.7 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -79.9 | 158.9 | 175.8 | -146 | -17.5 | 0 | 0 | 0 | 111.7 | D439 S443 | D439-D441 PolarHBondContact O-N 3.09Å; D439-D441 VanDerWaalsContact O-N 3.1Å; D441-S443 PolarHBondContact O-N 2.67Å | ||
| 442 | E | 36.3 | Very low | 36.2 | Very low | 190 Ų | 190 | 157 Ų | 157 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | -70.9 | 128.1 | -177.2 | -72.5 | -169.4 | 148.8 | 0 | 0 | 112.3 | ||||
| 443 | S | 30.5 | Very low | 36.7 | Very low | 117 Ų | 117 | 154.2 Ų | 154.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -138.3 | 92.3 | 162.8 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | D441 | D441-S443 PolarHBondContact O-N 2.67Š| ||
| 444 | S | 34.6 | Very low | 37.8 | Very low | 108 Ų | 108 | 152.2 Ų | 152.2 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -77.6 | 135.4 | 155.5 | 56.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 445 | E | 29.9 | Very low | 37.5 | Very low | 199 Ų | 199 | 151.6 Ų | 151.6 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -156.7 | 172.5 | 144.5 | -120 | 163.7 | -144.8 | 0 | 0 | 111.5 | ||||
| 446 | D | 33.2 | Very low | 37.1 | Very low | 152 Ų | 152 | 154.6 Ų | 154.6 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -145.7 | 162 | -144.3 | 178.3 | 41.4 | 0 | 0 | 0 | 112.6 | ||||
| 447 | S | 33.1 | Very low | 36.7 | Very low | 107 Ų | 107 | 150 Ų | 150 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | 65.3 | 149.2 | 169.2 | -163.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 448 | E | 33.8 | Very low | 36.4 | Very low | 184 Ų | 184 | 148.6 Ų | 148.6 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -96.2 | 142.2 | -179.6 | -63.2 | 176.3 | 118.3 | 0 | 0 | 112.8 | ||||
| 449 | D | 32.9 | Very low | 36.4 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | 17.2 | 123.9 | 142.5 | -150.9 | 61.4 | 0 | 0 | 0 | 121.5 | ||||
| 450 | E | 32.6 | Very low | 35.9 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | -156 | 159.3 | 128.6 | -149 | 166.8 | 109.8 | 0 | 0 | 112.2 | |||||
| 451 | E | 36.9 | Very low | 35.9 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | trans | -97.1 | 179.3 | -165.5 | -101.1 | -147.9 | 133 | 0 | 0 | 114.8 | ||||
| 452 | P | 46.8 | Very low | 36.1 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | cis | -135 | -131.7 | -35.7 | 41.3 | -20.7 | 0 | 0 | 0 | 112.6 | ||||
| 453 | P | 51.3 | Low | 36.4 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | trans | -133 | -137.8 | -138.4 | 43.4 | -17.1 | 0 | 0 | 0 | 112.5 | ||||
| 454 | P | 54.7 | Low | 36.5 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 59% | 0.591 | 77% | 0.766 | S | S | * | * | cis | -127.9 | -179.2 | -32.7 | 36.4 | -20.1 | 0 | 0 | 0 | 113.4 | ||||
| 455 | K | 34.4 | Very low | 36.3 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | 171.4 | 129.4 | 123.3 | -90.2 | 146.9 | -162.6 | 160.3 | 0 | 116 | |||||
| 456 | R | 34 | Very low | 36.7 | Very low | 224 Ų | 224 | 143.3 Ų | 143.3 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | 47.1 | 130.4 | 136 | -56.6 | 163.7 | 60.7 | 126.6 | -3.6 | 118.5 | ||||
| 457 | S | 28.6 | Very low | 36.7 | Very low | 94 Ų | 94 | 144.7 Ų | 144.7 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | 178 | 119.8 | 69 | -178.1 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 458 | L | 36.7 | Very low | 36.5 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | trans | 48.4 | 113.6 | 136.3 | -56.6 | 172.4 | 0 | 0 | 0 | 123.1 | ||||
| 459 | Q | 37 | Very low | 36.6 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | trans | 71.4 | 162 | 135.2 | -53.6 | 177.2 | 9.2 | 0 | 0 | 117.2 | ||||
| 460 | K | 31.1 | Very low | 36.7 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 70% | 0.704 | 77% | 0.774 | S | S | * | * | cis | -162.1 | 133.4 | 19.8 | -151.1 | 161.1 | -177.3 | 171.5 | 0 | 113.5 | ||||
| 461 | K | 32.6 | Very low | 36.6 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | trans | 41.9 | 118.5 | 146.9 | -60.3 | -177.1 | 179.2 | -171.5 | 0 | 122.4 | ||||
| 462 | T | 36.6 | Very low | 36.3 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | 6.3 | 152.8 | 117.4 | 47.1 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 463 | P | 43.4 | Very low | 35.7 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | cis | -153.4 | -176.1 | 47.8 | 44.1 | -22.3 | 0 | 0 | 0 | 120.7 | ||||
| 464 | A | 32.2 | Very low | 34.9 | Very low | 92 Ų | 92 | 144.2 Ų | 144.2 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -44.3 | 173.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 465 | K | 31.5 | Very low | 34 | Very low | 183 Ų | 183 | 148.1 Ų | 148.1 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | -178.7 | -178.7 | 59.9 | -158.5 | 172 | 177.2 | -179.8 | 0 | 114 | |||||
| 466 | S | 37 | Very low | 33.9 | Very low | 105 Ų | 105 | 151 Ų | 151 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | 82.4 | 126.5 | 174.4 | 73.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 467 | Q | 32.7 | Very low | 33.7 | Very low | 182 Ų | 182 | 143.5 Ų | 143.5 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | cis | 83.6 | 111.7 | 33.7 | -64.9 | -172.3 | -59.1 | 0 | 0 | 115.1 | ||||
| 468 | G | 30.7 | Very low | 34 | Very low | 84 Ų | 84 | 145.1 Ų | 145.1 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -172.4 | 101.2 | 168 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 469 | K | 34.6 | Very low | 34.1 | Very low | 207 Ų | 207 | 148.3 Ų | 148.3 | 90% | 0.9 | 81% | 0.809 | S | S | * | * | trans | -98.2 | 138.3 | 174.1 | -63.3 | 175.9 | 180 | 176.8 | 0 | 110.1 | ||||
| 470 | T | 34.9 | Very low | 34.4 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 95% | 0.945 | 82% | 0.817 | S | S | * | * | trans | -154.3 | 162.4 | 147 | 31.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 471 | A | 31.2 | Very low | 34.5 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 78% | 0.777 | 82% | 0.822 | S | S | * | * | trans | -150.1 | 172.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 472 | S | 31.5 | Very low | 34.6 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | 105.9 | 164.1 | 141.3 | 84.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 473 | M | 34.2 | Very low | 34.5 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | trans | 86 | 87.7 | 160.4 | -68.1 | -173 | 64.3 | 0 | 0 | 122.3 | ||||
| 474 | K | 32.6 | Very low | 34.4 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | 15.9 | 133 | 119 | -71.3 | 173.5 | 173.9 | 168.2 | 0 | 119 | |||||
| 475 | Q | 37 | Very low | 35 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | -171.1 | 148 | 102.7 | -93.1 | -178.5 | 53.9 | 0 | 0 | 108.4 | |||||
| 476 | R | 32.8 | Very low | 35 | Very low | 239 Ų | 239 | 147.2 Ų | 147.2 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | cis | 97.6 | 108.5 | 30.1 | -158.8 | -169.7 | -156.7 | -152.4 | 7.4 | 113 | ||||
| 477 | G | 29.5 | Very low | 34.9 | Very low | 68 Ų | 68 | 146.6 Ų | 146.6 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | trans | 159.5 | 107.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 478 | S | 34.4 | Very low | 35 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | 81.4 | 171.5 | 139.4 | 84.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 479 | K | 39.4 | Very low | 35 | Very low | 197 Ų | 197 | 155.2 Ų | 155.2 | 86% | 0.857 | 83% | 0.834 | S | S | * | * | trans | -143.3 | 165.6 | -172.3 | -56.1 | 174.5 | -179.4 | 176.1 | 0 | 109.8 | ||||
| 480 | P | 41.7 | Very low | 34.8 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -124.8 | 177.9 | 143.7 | 37.2 | -27.1 | 0 | 0 | 0 | 113.1 | ||||
| 481 | A | 33.7 | Very low | 34.8 | Very low | 98 Ų | 98 | 151.1 Ų | 151.1 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | trans | -147.5 | 152.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 482 | R | 34.7 | Very low | 34.8 | Very low | 226 Ų | 226 | 153.2 Ų | 153.2 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | 42.6 | 120 | 149.1 | -162 | 179.6 | -166.1 | -134.5 | 3.9 | 119.7 | ||||
| 483 | K | 35.9 | Very low | 34.9 | Very low | 209 Ų | 209 | 157.8 Ų | 157.8 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -109.4 | 159.6 | 158.9 | -91.4 | -175.7 | 174.5 | 178.7 | 0 | 112.6 | ||||
| 484 | V | 39.4 | Very low | 35.3 | Very low | 107 Ų | 107 | 155.5 Ų | 155.5 | 65% | 0.648 | 82% | 0.823 | S | S | * | * | trans | -149 | 152.3 | 172.4 | -152.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 485 | P | 45.1 | Very low | 35.5 | Very low | 128 Ų | 128 | 152.8 Ų | 152.8 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | trans | -119.1 | 167.3 | 154.2 | 36.9 | -27.5 | 0 | 0 | 0 | 112 | ||||
| 486 | A | 32.2 | Very low | 36.2 | Very low | 96 Ų | 96 | 149.3 Ų | 149.3 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | -147.2 | 166.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 487 | A | 34.1 | Very low | 36.2 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | 70.7 | 130.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 488 | Q | 36.3 | Very low | 36.2 | Very low | 199 Ų | 199 | 154.2 Ų | 154.2 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | -144 | 167.9 | 122.8 | -100.4 | -175.3 | 9 | 0 | 0 | 109.3 | |||||
| 489 | R | 31 | Very low | 36 | Very low | 248 Ų | 248 | 152.5 Ų | 152.5 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | trans | -135.5 | 144 | -161.9 | -60.2 | 165.5 | 76.2 | -160.9 | 11.5 | 113.6 | ||||
| 490 | G | 29.8 | Very low | 36.7 | Very low | 69 Ų | 69 | 148.6 Ų | 148.6 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -172.8 | 129.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 491 | K | 34 | Very low | 36.8 | Very low | 207 Ų | 207 | 148.3 Ų | 148.3 | 90% | 0.9 | 81% | 0.805 | S | S | * | * | 56.6 | 126.4 | 57.1 | -66.3 | -170.9 | 172.9 | -175.2 | 0 | 110.5 | |||||
| 492 | V | 31.1 | Very low | 36.8 | Very low | 138 Ų | 138 | 153.4 Ų | 153.4 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | cis | -143.9 | 168.8 | 28.6 | 175.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 493 | R | 33.9 | Very low | 36.6 | Very low | 206 Ų | 206 | 147.1 Ų | 147.1 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -138.9 | 134.2 | 166.3 | 170.9 | 176.7 | -178.9 | -98.4 | 0.3 | 107.1 | ||||
| 494 | P | 43.5 | Very low | 36.5 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | -152.3 | -175.1 | 79.6 | 40.7 | -18.7 | 0 | 0 | 0 | 118.8 | |||||
| 495 | L | 36.2 | Very low | 36.3 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 71% | 0.707 | 81% | 0.811 | S | S | * | * | trans | -78.1 | -179.6 | 174.4 | -67.7 | 158.1 | 0 | 0 | 0 | 111 | ||||
| 496 | P | 52.3 | Low | 35.9 | Very low | 102 Ų | 102 | 147.9 Ų | 147.9 | 66% | 0.662 | 81% | 0.81 | S | S | * | * | cis | -157.8 | -167.7 | 26.1 | 48.6 | -26.5 | 0 | 0 | 0 | 120.3 | ||||
| 497 | K | 32.7 | Very low | 35.9 | Very low | 195 Ų | 195 | 147.6 Ų | 147.6 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | 62.7 | 114 | 153.3 | -69.1 | 172.8 | -175.1 | 178 | 0 | 121.7 | ||||
| 498 | K | 29.5 | Very low | 35.8 | Very low | 215 Ų | 215 | 154.4 Ų | 154.4 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | -173.5 | 157.1 | 117.8 | -116.7 | -179.3 | 178.7 | 178.7 | 0 | 115 | |||||
| 499 | A | 30.3 | Very low | 35.7 | Very low | 91 Ų | 91 | 155.3 Ų | 155.3 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | -172.4 | 174.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 500 | P | 52.5 | Low | 35.8 | Very low | 114 Ų | 114 | 148 Ų | 148 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | cis | -113 | -149.6 | -18.9 | 32.8 | -10.9 | 0 | 0 | 0 | 110.3 | ||||
| 501 | P | 44.7 | Very low | 36.1 | Very low | 128 Ų | 128 | 154.6 Ų | 154.6 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | -142.5 | -169.3 | 75 | 37.1 | -16.8 | 0 | 0 | 0 | 115.3 | |||||
| 502 | K | 33 | Very low | 36.2 | Very low | 205 Ų | 205 | 150.8 Ų | 150.8 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -120.3 | 144.3 | -175 | -58.2 | 169.9 | 179.9 | 172.7 | 0 | 112.9 | ||||
| 503 | A | 30.4 | Very low | 36.6 | Very low | 93 Ų | 93 | 147.7 Ų | 147.7 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -173 | 149.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 504 | K | 35 | Very low | 37.2 | Very low | 205 Ų | 205 | 144 Ų | 144 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | cis | -149.5 | 158.7 | -14.6 | -103.8 | 170.9 | -177.5 | 177.8 | 0 | 106.7 | ||||
| 505 | T | 34.6 | Very low | 36.7 | Very low | 132 Ų | 132 | 144 Ų | 144 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -81.5 | 168.4 | 167 | 50 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 506 | P | 37.7 | Very low | 36.6 | Very low | 124 Ų | 124 | 144 Ų | 144 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | -136.1 | 166.8 | 97.7 | 40.4 | -31.6 | 0 | 0 | 0 | 114.4 | |||||
| 507 | A | 31.5 | Very low | 35.8 | Very low | 90 Ų | 90 | 146.4 Ų | 146.4 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | trans | -80.7 | -173.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 508 | R | 32.8 | Very low | 35.9 | Very low | 234 Ų | 234 | 146.4 Ų | 146.4 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | cis | -167 | 131.5 | 15.9 | -177 | -179.5 | 179.3 | -127.7 | 8.3 | 107.7 | ||||
| 509 | K | 32.9 | Very low | 36.3 | Very low | 219 Ų | 219 | 144.2 Ų | 144.2 | 95% | 0.952 | 80% | 0.798 | S | S | * | * | trans | -162.4 | 155.9 | 154.4 | -113.2 | 158.3 | -174.4 | 177.6 | 0 | 110.8 | ||||
| 510 | A | 32.4 | Very low | 37.1 | Very low | 94 Ų | 94 | 146 Ų | 146 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -105 | 173.4 | -156.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 511 | R | 38 | Very low | 36 | Very low | 207 Ų | 207 | 145.3 Ų | 145.3 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | -43.8 | 157.5 | 162.3 | -112.5 | -172.1 | -179.4 | -164.9 | 8 | 112.3 | S513 | R511-S513 VanDerWaalsContact NH1-CB 3.32Å; R511-S513 PolarHBondContact NH1-OG 2.59Å | ||
| 512 | P | 34.3 | Very low | 35.2 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | -115.5 | 168.7 | 105.3 | 33.4 | -35.1 | 0 | 0 | 0 | 113.7 | |||||
| 513 | S | 40.3 | Very low | 35 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 50% | 0.503 | 79% | 0.791 | S | S | . | * | trans | -133.8 | 162.2 | 172.8 | 43.8 | 0 | 0 | 0 | 0 | 108.8 | R511 | R511-S513 VanDerWaalsContact NH1-CB 3.32Å; R511-S513 PolarHBondContact NH1-OG 2.59Å | ||
| 514 | P | 46.2 | Very low | 35.1 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -77.4 | 155.9 | -151.8 | 31.2 | -36.9 | 0 | 0 | 0 | 114.6 | ||||
| 515 | S | 32.6 | Very low | 34.9 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -106.9 | 147.2 | 171.7 | 45.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 516 | V | 35.1 | Very low | 34.8 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -134.5 | 129.9 | -179.8 | 172.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 517 | I | 36 | Very low | 34.9 | Very low | 154 Ų | 154 | 143 Ų | 143 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -148.5 | 137.4 | 177.5 | -59.4 | -177.9 | 0 | 0 | 0 | 107.7 | ||||
| 518 | K | 33.3 | Very low | 35.3 | Very low | 194 Ų | 194 | 144 Ų | 144 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | cis | -157.7 | 164.7 | -25.9 | -114.4 | 179.7 | -176.2 | 178.4 | 0 | 108 | ||||
| 519 | K | 39.7 | Very low | 35.1 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | -83.9 | 166.8 | 164 | -82.4 | -164.9 | 175.5 | -165.9 | 0 | 110.8 | ||||
| 520 | P | 46.1 | Very low | 35 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | -82.2 | 180 | 56.8 | -24.4 | 37.9 | 0 | 0 | 0 | 116.3 | |||||
| 521 | S | 29.7 | Very low | 34.9 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | cis | -136.5 | -160.5 | -2.3 | 67.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 522 | G | 27.2 | Very low | 34.6 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -176.7 | 151.2 | -3.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 523 | S | 30 | Very low | 34.6 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -76 | 165.8 | -177.6 | 48.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 524 | S | 30.7 | Very low | 34.1 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | cis | -160.2 | 179.8 | 6.3 | 16.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 525 | S | 32.4 | Very low | 33.4 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -72 | 151.8 | 175.8 | 50.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 526 | R | 32.4 | Very low | 33.5 | Very low | 237 Ų | 237 | 140.2 Ų | 140.2 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | 165.4 | 154.4 | 122 | -88.9 | 172.7 | -175.3 | -147.6 | 0.7 | 112.4 | |||||
| 527 | K | 38.4 | Very low | 33.1 | Very low | 201 Ų | 201 | 142.7 Ų | 142.7 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -92.1 | 149.6 | 156.6 | -68.1 | -177.1 | 177.6 | -178.9 | 0 | 108.2 | ||||
| 528 | P | 39.8 | Very low | 33 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | -144.4 | 147.6 | 100.8 | 39.6 | -23.7 | 0 | 0 | 0 | 113.4 | |||||
| 529 | I | 29.6 | Very low | 33.6 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | 73.3 | 105.4 | 99.9 | -55.5 | 173.2 | 0 | 0 | 0 | 116.6 | |||||
| 530 | A | 30.5 | Very low | 33.2 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | trans | 50.1 | 149.5 | 136.9 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 531 | S | 29.7 | Very low | 32.5 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | 70.4 | 155.1 | 155.5 | -63.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 532 | A | 33.6 | Very low | 32.6 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | cis | -152.9 | 139.6 | -8.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 533 | R | 33.4 | Very low | 32.9 | Very low | 226 Ų | 226 | 144.9 Ų | 144.9 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | 84.1 | 108.8 | 62.9 | -167.2 | -162 | -162.7 | -146.2 | 8.7 | 114.5 | |||||
| 534 | K | 30.1 | Very low | 33.2 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -132.9 | 116.1 | 143.1 | -91 | -162.6 | 164.2 | -174.5 | 0 | 107.3 | ||||
| 535 | E | 31.8 | Very low | 33.4 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | 82.1 | 137.3 | 89 | -73.5 | -172.2 | 118.3 | 0 | 0 | 112.3 | |||||
| 536 | A | 33.2 | Very low | 33.6 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | cis | -130.5 | 178 | 20.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 537 | K | 28.7 | Very low | 33.9 | Very low | 186 Ų | 186 | 145 Ų | 145 | 81% | 0.809 | 81% | 0.807 | S | S | * | * | trans | -51.4 | 149.3 | -178.2 | -73.5 | 164.2 | 176.1 | 169.1 | 0 | 114.7 | ||||
| 538 | L | 32.5 | Very low | 34 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | 62.1 | 150 | 58.9 | -66.5 | 177.1 | 0 | 0 | 0 | 113.9 | |||||
| 539 | P | 47.1 | Very low | 34 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | cis | -122.4 | -172 | 11.7 | 42.9 | -27.5 | 0 | 0 | 0 | 113.5 | ||||
| 540 | G | 30.2 | Very low | 34.5 | Very low | 69 Ų | 69 | 145.6 Ų | 145.6 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | cis | -172.9 | -176.2 | 5.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 541 | K | 31.9 | Very low | 35.1 | Very low | 219 Ų | 219 | 150.9 Ų | 150.9 | 95% | 0.952 | 81% | 0.813 | S | S | * | * | trans | -59.8 | 157.9 | -178.7 | -53 | 157.3 | -176.6 | 171 | 0 | 112.5 | ||||
| 542 | G | 30.7 | Very low | 35.9 | Very low | 68 Ų | 68 | 151.8 Ų | 151.8 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | cis | 138.1 | 150.4 | -1.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 543 | K | 34.2 | Very low | 36.4 | Very low | 218 Ų | 218 | 157.1 Ų | 157.1 | 95% | 0.948 | 82% | 0.821 | S | S | * | * | trans | 69.4 | 120.7 | -177.8 | -57.7 | -178.6 | 179 | -179.2 | 0 | 117.6 | ||||
| 544 | S | 35.7 | Very low | 37.1 | Very low | 122 Ų | 122 | 159.2 Ų | 159.2 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | -160.4 | 152 | 131 | -171.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 545 | A | 35.9 | Very low | 37.4 | Very low | 96 Ų | 96 | 158.1 Ų | 158.1 | 79% | 0.793 | 84% | 0.838 | S | S | * | * | trans | -136.9 | 125.1 | 172 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 546 | M | 36.6 | Very low | 37.7 | Very low | 173 Ų | 173 | 158.4 Ų | 158.4 | 85% | 0.852 | 85% | 0.845 | S | S | * | * | trans | -146.4 | 147.5 | 172.5 | -163.8 | 50.1 | 125.1 | 0 | 0 | 112.5 | ||||
| 547 | K | 38 | Very low | 38 | Very low | 180 Ų | 180 | 161.8 Ų | 161.8 | 78% | 0.783 | 85% | 0.847 | S | S | * | * | trans | -75.4 | 155.4 | -175.2 | -51.7 | 157.3 | -175.6 | 171.6 | 0 | 110.7 | ||||
| 548 | K | 41 | Very low | 38.5 | Very low | 186 Ų | 186 | 160.4 Ų | 160.4 | 81% | 0.809 | 85% | 0.849 | S | S | * | * | trans | -157.7 | 99.5 | 131.9 | -113.2 | 162.4 | -175 | 178.4 | 0 | 112.2 | F550 | K548-F550 HydrophobicContact CD-CE2 4.28Å; K548-F550 HydrophobicContact CG-CE2 4.29Å | ||
| 549 | S | 40.2 | Very low | 38.9 | Very low | 110 Ų | 110 | 160.6 Ų | 160.6 | 77% | 0.769 | 85% | 0.851 | S | S | * | * | trans | -73.9 | 134.7 | 156.5 | 50.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 550 | F | 40.5 | Very low | 38.4 | Very low | 190 Ų | 190 | 162.7 Ų | 162.7 | 83% | 0.833 | 85% | 0.852 | S | S | * | * | trans | -113.1 | 123.6 | 159.1 | -93.7 | -83.1 | 0 | 0 | 0 | 109.6 | K548 | K548-F550 HydrophobicContact CD-CE2 4.28Å; K548-F550 HydrophobicContact CG-CE2 4.29Å | ||
| 551 | K | 41.9 | Very low | 38.9 | Very low | 196 Ų | 196 | 169.4 Ų | 169.4 | 85% | 0.852 | 86% | 0.862 | S | S | * | * | trans | -112.9 | 120.3 | 171.5 | 178.9 | 177.6 | 178.5 | -180 | 0 | 106.5 | K553 | K551-K553 PolarHBondContact O-N 3.47Š| ||
| 552 | T | 46 | Very low | 39.5 | Very low | 143 Ų | 143 | 165.5 Ų | 165.5 | 88% | 0.877 | 86% | 0.855 | S | S | * | * | trans | -71.6 | 123.7 | 177 | 35.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 553 | K | 44.5 | Very low | 40.2 | Very low | 200 Ų | 200 | 173.7 Ų | 173.7 | 87% | 0.87 | 87% | 0.868 | S | S | * | * | trans | -160.1 | 126.7 | 141.1 | -154 | 174.9 | -176 | -174.7 | 0 | 110.3 | K551 | K551-K553 PolarHBondContact O-N 3.47Š| ||
| 554 | K | 48 | Very low | 40.8 | Very low | 270 Ų | 270 | 169.6 Ų | 169.6 | 100% | 1.174 | 86% | 0.861 | S | S | * | * | trans | -128.7 | 0 | 139.7 | -158.3 | 175.1 | -175.2 | -176 | 0 | 105.7 |
Retrieved 554 of 554 residues in 117.4 ms
(Link to these results)