| 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 | 34.2 | Very low | 35.9 | Very low | 238 Ų | 238 | 140 Ų | 140 | 100% | 1.172 | 81% | 0.814 | S | S | * | * | 0 | 109.9 | 0 | -64.2 | 154.4 | 78.8 | 0 | 0 | 105.4 | |||||
| 2 | S | 32.9 | Very low | 35.3 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | 75.4 | 125.9 | 67.7 | -173.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 3 | S | 36.9 | Very low | 34.9 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | cis | -170.8 | -175.7 | -9.5 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | K | 40.2 | Very low | 34.7 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | 83.8 | 113.3 | 165.6 | -53.7 | -175 | -177.2 | -176.3 | 0 | 115.8 | ||||
| 5 | Q | 34.7 | Very low | 34.5 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | 80.9 | 129.2 | 84.9 | -71.7 | 163.3 | -12.5 | 0 | 0 | 112 | |||||
| 6 | A | 40.7 | Very low | 34.2 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | cis | 70.9 | 137.1 | 48.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 7 | T | 31.6 | Very low | 34.1 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | cis | -142.2 | -172.9 | 27.3 | 62.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 8 | S | 32.2 | Very low | 33.9 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 66% | 0.664 | 81% | 0.81 | S | S | * | * | trans | -87 | 170.1 | 159.2 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 9 | P | 49.8 | Very low | 33.9 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | -149.5 | -162.4 | 95.5 | 41.8 | -22.8 | 0 | 0 | 0 | 115.6 | |||||
| 10 | F | 31.3 | Very low | 33.8 | Very low | 203 Ų | 203 | 134.9 Ų | 134.9 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -100.1 | 166.6 | -173.4 | -119.4 | -104.1 | 0 | 0 | 0 | 113.8 | ||||
| 11 | A | 30.9 | Very low | 33.6 | Very low | 90 Ų | 90 | 134.5 Ų | 134.5 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | 68.9 | 157.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 12 | S | 28.1 | Very low | 33.2 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | cis | -176.6 | 161.1 | -24.7 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 13 | V | 29.9 | Very low | 33 | Very low | 135 Ų | 135 | 133 Ų | 133 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 84.7 | 142.9 | 158.4 | 177.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 14 | V | 32.4 | Very low | 32.6 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 99.5 | 139 | 158.3 | 137.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 15 | D | 31.8 | Very low | 32 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | -62.5 | 168 | -164.7 | -56.9 | -80.7 | 0 | 0 | 0 | 119.6 | ||||
| 16 | G | 30.4 | Very low | 31.5 | Very low | 75 Ų | 75 | 130 Ų | 130 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | 162.3 | 88.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 17 | D | 31.6 | Very low | 30.7 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -64.9 | 148.2 | 179.9 | -68.4 | -71.3 | 0 | 0 | 0 | 114.4 | ||||
| 18 | D | 31.3 | Very low | 30.5 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | -152.9 | 161.9 | 112.6 | -143.6 | -24.2 | 0 | 0 | 0 | 111.7 | |||||
| 19 | A | 32.7 | Very low | 30.3 | Very low | 81 Ų | 81 | 141.6 Ų | 141.6 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | trans | -90.4 | 172.6 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 20 | M | 32 | Very low | 29.3 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | cis | -155.2 | 153.1 | -3.2 | -132.3 | -162.1 | -160.4 | 0 | 0 | 110 | ||||
| 21 | S | 29.3 | Very low | 29.3 | Very low | 127 Ų | 127 | 140 Ų | 140 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -164 | 123.9 | 158.2 | -80.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 22 | Q | 27.4 | Very low | 29.1 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -118.3 | 129.4 | -175.3 | -153 | 171.9 | -3.4 | 0 | 0 | 107.7 | ||||
| 23 | E | 28.3 | Very low | 29 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | 60.3 | 149.4 | 64.3 | -78.9 | -148.4 | 148.5 | 0 | 0 | 114.4 | |||||
| 24 | H | 28.7 | Very low | 29 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | cis | -164.5 | -160.2 | -20.9 | -175.6 | -116.5 | 0 | 0 | 0 | 107.9 | ||||
| 25 | L | 27.7 | Very low | 28.8 | Very low | 132 Ų | 132 | 141 Ų | 141 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | -75.4 | 138.2 | -175.9 | -81.8 | 154 | 0 | 0 | 0 | 115.6 | ||||
| 26 | S | 22.9 | Very low | 28.6 | Very low | 89 Ų | 89 | 143 Ų | 143 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | trans | 26.7 | 135.8 | 140.6 | 65.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 27 | W | 24.2 | Very low | 28.4 | Very low | 245 Ų | 245 | 143.3 Ų | 143.3 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | -169 | -156.5 | 119.1 | -109.7 | 44.9 | 0 | 0 | 0 | 112.8 | |||||
| 28 | E | 26.8 | Very low | 28.2 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -110.9 | 161.6 | -144.3 | -142.9 | -169.2 | -170.5 | 0 | 0 | 116.6 | ||||
| 29 | K | 28.8 | Very low | 28.9 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 70% | 0.7 | 77% | 0.77 | S | S | * | * | trans | 92.9 | 121.1 | 132.5 | -165.4 | 168.5 | 176.8 | 64.9 | 0 | 124.5 | ||||
| 30 | D | 29.4 | Very low | 28.5 | Very low | 123 Ų | 123 | 144 Ų | 144 | 66% | 0.658 | 78% | 0.776 | S | S | * | * | trans | 55.5 | 129.5 | 143.1 | -72 | -36.8 | 0 | 0 | 0 | 128.5 | ||||
| 31 | E | 30.7 | Very low | 28.3 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | 61.4 | 138.6 | 131 | -114.9 | -161.8 | 76.4 | 0 | 0 | 127.8 | ||||
| 32 | S | 25.9 | Very low | 29 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 66.9 | 113.1 | 140.2 | -79.3 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 33 | A | 28 | Very low | 29.1 | Very low | 108 Ų | 108 | 142 Ų | 142 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -165.2 | 152.1 | 132.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 34 | E | 28 | Very low | 29 | Very low | 187 Ų | 187 | 141.6 Ų | 141.6 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -79.7 | 163.9 | -175.5 | -63.5 | 166 | 74.5 | 0 | 0 | 115.9 | ||||
| 35 | A | 28.7 | Very low | 28.8 | Very low | 80 Ų | 80 | 139 Ų | 139 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | 151.9 | 122.5 | 114.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 36 | H | 28.9 | Very low | 28.9 | Very low | 193 Ų | 193 | 140.4 Ų | 140.4 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | trans | 42 | 136.8 | 149 | -51.2 | -53.9 | 0 | 0 | 0 | 123.9 | ||||
| 37 | G | 24.6 | Very low | 29.2 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | 170.7 | 41.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 38 | T | 27.3 | Very low | 29.5 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | -75.2 | 150.6 | 167.6 | 42.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 39 | P | 46.4 | Very low | 29.5 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | cis | -132.7 | -156.4 | 44.1 | 37.1 | -14.5 | 0 | 0 | 0 | 112.8 | ||||
| 40 | Q | 24.3 | Very low | 29.4 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | cis | -155.7 | -154.2 | 14 | -151.7 | 162.5 | -18.6 | 0 | 0 | 113.2 | ||||
| 41 | L | 28.5 | Very low | 29.3 | Very low | 155 Ų | 155 | 136 Ų | 136 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -152 | -178.7 | -169.8 | -77 | -179 | 0 | 0 | 0 | 107 | ||||
| 42 | P | 44.6 | Very low | 30 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | cis | -153.7 | -173.5 | 21 | 48.6 | -28.2 | 0 | 0 | 0 | 119.7 | ||||
| 43 | L | 27.8 | Very low | 30.2 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | 72.1 | 152.4 | 160.1 | -60.3 | 173.5 | 0 | 0 | 0 | 118 | ||||
| 44 | H | 26.7 | Very low | 30.1 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | cis | -143.9 | 156.6 | 5.8 | -148 | -72.5 | 0 | 0 | 0 | 113 | ||||
| 45 | S | 25.2 | Very low | 30.2 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | -96.8 | 150.8 | -179 | -40.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 46 | L | 29.1 | Very low | 30.1 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -176.6 | 156.7 | 149.2 | -92.2 | 131.1 | 0 | 0 | 0 | 109.6 | ||||
| 47 | L | 30.2 | Very low | 30.7 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | -170.6 | 137.9 | -50.2 | -120.6 | 172.2 | 0 | 0 | 0 | 111.1 | |||||
| 48 | H | 30.1 | Very low | 30.7 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | 60 | 139.6 | 152.2 | -104 | 70.6 | 0 | 0 | 0 | 122.9 | ||||
| 49 | G | 25.7 | Very low | 30.6 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | 173.7 | 142.6 | 166 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 50 | K | 27.8 | Very low | 29.6 | Very low | 206 Ų | 206 | 138.4 Ų | 138.4 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | trans | -126.9 | 160.3 | -176.1 | -90.5 | -173.9 | 174.4 | -178.2 | 0 | 113.1 | ||||
| 51 | A | 27.7 | Very low | 30 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | -75.1 | -170.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 52 | P | 45.2 | Very low | 30.8 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | cis | -145.1 | -163.9 | 26.7 | 43.3 | -20.9 | 0 | 0 | 0 | 117 | ||||
| 53 | D | 28.8 | Very low | 30.4 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 70.3 | 153.8 | 151.5 | -65.6 | -18.6 | 0 | 0 | 0 | 119.8 | ||||
| 54 | E | 27.3 | Very low | 30.3 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | cis | -154.4 | 168.5 | 1.6 | -135.3 | -176.3 | 156.5 | 0 | 0 | 113.9 | ||||
| 55 | M | 28.7 | Very low | 30.5 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | trans | 63.5 | 135.7 | 152.3 | -62.9 | -155.8 | -172.7 | 0 | 0 | 124.7 | ||||
| 56 | Q | 26.7 | Very low | 30.6 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -83.7 | 179.7 | 155.3 | -80 | -169.4 | -19.8 | 0 | 0 | 110.1 | ||||
| 57 | P | 41.4 | Very low | 30.6 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | cis | -155.8 | -171.5 | 28.9 | 45.8 | -22.9 | 0 | 0 | 0 | 120.2 | ||||
| 58 | L | 25.5 | Very low | 30.3 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 75.9 | 115.7 | 147.7 | -83.4 | 164.4 | 0 | 0 | 0 | 123.1 | ||||
| 59 | S | 24 | Very low | 30.2 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | 65.9 | 112.5 | 129.9 | -161.7 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 60 | S | 27.3 | Very low | 30.2 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | -171 | 169.7 | 127.6 | 26.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 61 | V | 31.1 | Very low | 30.2 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | -111.4 | -178.1 | -175.7 | -131.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 62 | P | 44.9 | Very low | 30.2 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | trans | -86.3 | -179.6 | -135.2 | 44.4 | -35.3 | 0 | 0 | 0 | 113.9 | ||||
| 63 | P | 37.6 | Very low | 29.4 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | -143.5 | -178.5 | 94.8 | 40.4 | -26.1 | 0 | 0 | 0 | 115.7 | |||||
| 64 | E | 26.1 | Very low | 29.3 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -75.5 | 151.7 | -177.7 | -46.7 | 172 | 151.6 | 0 | 0 | 113.2 | ||||
| 65 | S | 30.2 | Very low | 29.3 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -179.3 | 142.9 | 140.5 | -79.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 66 | D | 28.2 | Very low | 29.4 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -71.6 | 149.7 | 172 | -58.9 | -82.5 | 0 | 0 | 0 | 113 | ||||
| 67 | W | 27.1 | Very low | 29.4 | Very low | 255 Ų | 255 | 140.8 Ų | 140.8 | 97% | 0.966 | 78% | 0.784 | S | S | * | * | trans | -148.2 | 134.5 | 146.4 | -89.5 | 107.7 | 0 | 0 | 0 | 110.7 | ||||
| 68 | D | 25.5 | Very low | 28.6 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | -120.4 | 138.1 | -179.9 | -164.1 | -17.5 | 0 | 0 | 0 | 110.8 | ||||
| 69 | S | 26.7 | Very low | 29.7 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | 62 | 109.7 | 159.2 | -70.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 70 | L | 25.9 | Very low | 30 | Very low | 169 Ų | 169 | 142 Ų | 142 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | trans | -152.3 | 101.4 | 130 | -146.7 | 85.8 | 0 | 0 | 0 | 108.2 | ||||
| 71 | V | 28 | Very low | 30 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | 60.5 | 102.6 | 77 | -179.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 72 | S | 27.1 | Very low | 29.9 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | 166.6 | 143.5 | 146.4 | -75.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 73 | A | 29.8 | Very low | 29.3 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | cis | 178.2 | 173.7 | 29.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 74 | Q | 27.1 | Very low | 28.9 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | cis | -176.5 | 150.8 | -11.6 | 165.9 | 64.3 | -42 | 0 | 0 | 110.4 | ||||
| 75 | Q | 26.4 | Very low | 28.9 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | 65.1 | 144.1 | 165.9 | -77 | 153 | -2.8 | 0 | 0 | 119.1 | ||||
| 76 | R | 30.3 | Very low | 28.8 | Very low | 201 Ų | 201 | 138.7 Ų | 138.7 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | cis | 106.6 | 145.9 | 26.1 | -81.3 | -114.1 | -69.9 | 171 | -2.2 | 112.1 | ||||
| 77 | M | 27.1 | Very low | 28.7 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 72% | 0.719 | 75% | 0.749 | S | S | * | * | cis | -146.5 | 145.1 | 24.7 | -75.9 | -164.5 | -58.9 | 0 | 0 | 115.4 | ||||
| 78 | E | 25 | Very low | 28.7 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 60% | 0.603 | 74% | 0.742 | S | S | * | * | 30.1 | 146 | 116.8 | -76.6 | -55.8 | 128.7 | 0 | 0 | 122.6 | D80 | E78-D80 PolarHBondContact OE2-N 3.39Š| |||
| 79 | P | 47.6 | Very low | 28.8 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | -145.8 | 135.4 | 72.5 | 38.1 | -18.6 | 0 | 0 | 0 | 121.4 | |||||
| 80 | D | 30.5 | Very low | 28.9 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | -12.3 | 160.4 | 141.8 | -110.4 | -36.7 | 0 | 0 | 0 | 119.8 | E78 | E78-D80 PolarHBondContact OE2-N 3.39Š| ||
| 81 | S | 28.1 | Very low | 28.8 | Very low | 89 Ų | 89 | 143.1 Ų | 143.1 | 62% | 0.622 | 75% | 0.75 | S | S | * | * | cis | -156.2 | -158.5 | 8.9 | 53.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 82 | N | 29.1 | Very low | 28.8 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | cis | -161.2 | 179.2 | 9.3 | -139 | -81.9 | 0 | 0 | 0 | 105.4 | V84 | N82-V84 WeakPolarHBondContact OD1-CG2 3.35Š| ||
| 83 | K | 32.3 | Very low | 28.8 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | cis | -144.6 | 144.2 | 18 | -62 | -177.8 | -178.9 | 178.6 | 0 | 107.3 | ||||
| 84 | V | 29.6 | Very low | 28.8 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | 88 | 99.6 | 51.8 | 179.1 | 0 | 0 | 0 | 0 | 115.2 | N82 | N82-V84 WeakPolarHBondContact OD1-CG2 3.35Š| |||
| 85 | C | 26.4 | Very low | 28.9 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | 63.7 | 159.1 | 153.7 | -71 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 86 | S | 26.4 | Very low | 29 | Very low | 92 Ų | 92 | 144.8 Ų | 144.8 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | cis | -175.3 | 149 | -23.7 | -175.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 87 | L | 27 | Very low | 29.7 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | -179.2 | 171.3 | 81.2 | -128.8 | 113.3 | 0 | 0 | 0 | 114.7 | |||||
| 88 | Y | 27 | Very low | 29.7 | Very low | 209 Ų | 209 | 142.3 Ų | 142.3 | 82% | 0.82 | 77% | 0.768 | S | S | * | * | trans | -60.5 | 169.4 | 169.9 | -95.4 | -128.7 | 0 | 0 | 0 | 115.6 | ||||
| 89 | S | 27.3 | Very low | 30.2 | Very low | 96 Ų | 96 | 144.7 Ų | 144.7 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | cis | -166.8 | -176.6 | -13.4 | -135.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 90 | F | 28.3 | Very low | 29.8 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -38.5 | 149.9 | 176.2 | -86.7 | -97.8 | 0 | 0 | 0 | 120.5 | ||||
| 91 | R | 25.2 | Very low | 29.6 | Very low | 243 Ų | 243 | 145.9 Ų | 145.9 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | trans | -157.4 | 149.1 | 130 | -139.8 | 176.9 | -178.1 | -152.4 | -1.2 | 114.2 | ||||
| 92 | N | 27.4 | Very low | 29.6 | Very low | 146 Ų | 146 | 150.7 Ų | 150.7 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -99.5 | 147.9 | 168.9 | -86.7 | -10.7 | 0 | 0 | 0 | 111.1 | ||||
| 93 | N | 26.1 | Very low | 29.5 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | -164.9 | 171.8 | 117.9 | -153.3 | 8.8 | 0 | 0 | 0 | 112.2 | |||||
| 94 | S | 31 | Very low | 29.4 | Very low | 97 Ų | 97 | 144.2 Ų | 144.2 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | -92.8 | 149.4 | -178.1 | -49.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 95 | T | 27.9 | Very low | 29.4 | Very low | 147 Ų | 147 | 150.7 Ų | 150.7 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -168.9 | 161.5 | 130.2 | 35.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 96 | S | 29.2 | Very low | 29.7 | Very low | 112 Ų | 112 | 154.4 Ų | 154.4 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -121.6 | 165.8 | 162.5 | -136.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 97 | P | 46 | Very low | 30 | Very low | 109 Ų | 109 | 159.2 Ų | 159.2 | 71% | 0.708 | 82% | 0.816 | S | S | * | * | cis | -147.8 | -159.2 | 32.8 | 38.8 | -14.3 | 0 | 0 | 0 | 116.6 | ||||
| 98 | H | 26.9 | Very low | 30.1 | Very low | 186 Ų | 186 | 157.3 Ų | 157.3 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | 95.8 | 144.1 | 160 | -104.1 | -88.9 | 0 | 0 | 0 | 122.1 | ||||
| 99 | K | 35.8 | Very low | 30.3 | Very low | 179 Ų | 179 | 151.4 Ų | 151.4 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | trans | -105 | 154.7 | 163.1 | -72.5 | -173.8 | 172.5 | -172.2 | 0 | 109.1 | ||||
| 100 | P | 37.7 | Very low | 30.7 | Very low | 122 Ų | 122 | 153.6 Ų | 153.6 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | -109.9 | 165.5 | 83.2 | -6.9 | 27.8 | 0 | 0 | 0 | 112.5 | |||||
| 101 | E | 26.4 | Very low | 31 | Very low | 173 Ų | 173 | 151 Ų | 151 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | 84.3 | 125.1 | 50.9 | -157 | 170.3 | 135.3 | 0 | 0 | 114.1 | |||||
| 102 | E | 29 | Very low | 31.4 | Very low | 190 Ų | 190 | 144.6 Ų | 144.6 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | 31.6 | 147.3 | 173.2 | -60.6 | -163 | 149.2 | 0 | 0 | 122.2 | ||||
| 103 | G | 27.5 | Very low | 31.3 | Very low | 77 Ų | 77 | 141.4 Ų | 141.4 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | cis | 161.3 | 91.9 | -4.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 104 | A | 28.9 | Very low | 31.7 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -151.3 | 125.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 105 | R | 30.6 | Very low | 31.9 | Very low | 252 Ų | 252 | 139.1 Ų | 139.1 | 95% | 0.951 | 79% | 0.791 | S | S | * | * | 66.4 | 94.6 | 68.3 | -74.5 | -171.1 | 178.8 | 145.1 | 0.8 | 114.3 | |||||
| 106 | E | 32.8 | Very low | 32 | Very low | 204 Ų | 204 | 142.2 Ų | 142.2 | 95% | 0.953 | 79% | 0.792 | S | S | * | * | -138.6 | 153.9 | 116.4 | -157.4 | 161.1 | -132.4 | 0 | 0 | 108.9 | |||||
| 107 | R | 31.8 | Very low | 32.4 | Very low | 193 Ų | 193 | 140 Ų | 140 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | trans | -157.1 | 118.3 | -165.9 | -165.6 | -169.9 | -145.9 | -123.8 | 9.4 | 113.1 | D109 | R107-D109 WeakPolarHBondContact CD-OD2 3.5Å; R107-D109 WeakPolarHBondContact CG-OD2 3.44Å; R107-D109 IonicContact CZ-OD1 3.4Å; R107-D109 IonicContact CZ-OD2 2.71Å; R107-D109 IonicContact NE-OD2 3.26Å; R107-D109 IonicContact NH1-OD1 3.64Å; R107-D109 PolarHBondContact NH1-OD1 3.41Å; R107-D109 IonicContact NH1-OD2 2.67Å; R107-D109 PolarHBondContact NH1-OD2 3.18Å | ||
| 108 | S | 28.7 | Very low | 31.8 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -142.4 | 113.8 | 159.4 | -67.2 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 109 | D | 32.5 | Very low | 32.7 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 46% | 0.455 | 79% | 0.79 | S | S | . | * | cis | 56.4 | 135.9 | 32.5 | -67.7 | -22.7 | 0 | 0 | 0 | 112.3 | R107 | R107-D109 WeakPolarHBondContact CD-OD2 3.5Å; R107-D109 WeakPolarHBondContact CG-OD2 3.44Å; R107-D109 IonicContact CZ-OD1 3.4Å; R107-D109 IonicContact CZ-OD2 2.71Å; R107-D109 IonicContact NE-OD2 3.26Å; R107-D109 IonicContact NH1-OD1 3.64Å; R107-D109 PolarHBondContact NH1-OD1 3.41Å; R107-D109 IonicContact NH1-OD2 2.67Å; R107-D109 PolarHBondContact NH1-OD2 3.18Å | ||
| 110 | M | 34.3 | Very low | 33.4 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 70% | 0.7 | 79% | 0.794 | S | S | * | * | cis | -130.5 | 177.1 | 10.8 | -64 | -98.6 | 88.3 | 0 | 0 | 108.6 | ||||
| 111 | L | 35.7 | Very low | 33.6 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | cis | -174.7 | 162.9 | -26.2 | -95.4 | -177 | 0 | 0 | 0 | 105 | ||||
| 112 | S | 32.4 | Very low | 34.5 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | cis | -161.8 | 177.4 | -11.8 | -171.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 113 | G | 26.6 | Very low | 35.1 | Very low | 79 Ų | 79 | 144.2 Ų | 144.2 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | 172.5 | 64 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 114 | S | 33.7 | Very low | 36.4 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -92.4 | 140.7 | -170.4 | -174.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 115 | A | 35.3 | Very low | 38.2 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | -143.5 | 123 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 116 | F | 29.1 | Very low | 39.8 | Very low | 213 Ų | 213 | 135.6 Ų | 135.6 | 93% | 0.934 | 75% | 0.747 | S | S | * | * | trans | -32.2 | 147.6 | 177.9 | -68.7 | -100.5 | 0 | 0 | 0 | 118.5 | ||||
| 117 | G | 38.7 | Very low | 41.2 | Very low | 65 Ų | 65 | 127.2 Ų | 127.2 | 67% | 0.67 | 71% | 0.713 | S | S | * | * | trans | -130.8 | 157.4 | 166 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 118 | T | 33.2 | Very low | 43.4 | Very low | 144 Ų | 144 | 120.3 Ų | 120.3 | 88% | 0.883 | 69% | 0.691 | S | S | * | * | trans | 168.5 | 161.6 | 158.3 | 25.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 119 | P | 46.7 | Very low | 45.8 | Very low | 115 Ų | 115 | 118.4 Ų | 118.4 | 75% | 0.747 | 67% | 0.674 | S | S | * | * | cis | -111 | -174.3 | -48.3 | 38 | -26.3 | 0 | 0 | 0 | 110.6 | R121 | P119-R121 PolarHBondContact O-N 2.86Š| ||
| 120 | E | 50 | Low | 48.2 | Very low | 185 Ų | 185 | 117.4 Ų | 117.4 | 86% | 0.864 | 67% | 0.671 | S | S | * | * | trans | -60.3 | 100.5 | -174.5 | -170.4 | 174.4 | -177.9 | 0 | 0 | 114 | R122 | E120-R122 PolarHBondContact O-N 2.93Š| ||
| 121 | R | 41.5 | Very low | 50.2 | Low | 170 Ų | 170 | 114.7 Ų | 114.7 | 64% | 0.642 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 128 | 175 | -94.3 | -172.3 | 171 | -171.3 | 1.2 | 111.7 | P119 K123 | P119-R121 PolarHBondContact O-N 2.86Å; R121-K123 PolarHBondContact O-N 3.12Å |
| 122 | R | 45.8 | Very low | 52.3 | Low | 236 Ų | 236 | 111.8 Ų | 111.8 | 89% | 0.891 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 122 | 172.3 | -65.1 | 179.6 | -177.5 | 138.7 | 1.3 | 110.1 | E120 | E120-R122 PolarHBondContact O-N 2.93Š|
| 123 | K | 41.7 | Very low | 54.4 | Low | 197 Ų | 197 | 112 Ų | 112 | 86% | 0.857 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -72.6 | 130 | -171.7 | -44.4 | -169.1 | -174.7 | -163.2 | 0 | 111 | R121 | R121-K123 PolarHBondContact O-N 3.12Š|
| 124 | G | 53.4 | Low | 56.9 | Low | 59 Ų | 59 | 114.7 Ų | 114.7 | 61% | 0.608 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 107.3 | 22.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D128 | G124-D128 WeakPolarHBondContact CA-OD2 3.18Å; G124-D128 PolarHBondContact N-OD2 2.9Å |
| 125 | S | 68.4 | Low | 58.8 | Low | 47 Ų | 47 | 115.7 Ų | 115.7 | 33% | 0.329 | 62% | 0.624 | S | S | . | * | trans | -69.2 | 159.4 | 172.7 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | A127 D128 V129 | S125-A127 PolarHBondContact O-N 3.37Å; S125-A127 PolarHBondContact OG-N 2.71Å; S125-D128 PolarHBondContact N-OD2 3.34Å; S125-D128 WeakPolarHBondContact O-CB 3.49Å; S125-D128 PolarHBondContact O-N 3.42Å; S125-D128 VanDerWaalsContact O-N 3.13Å; S125-V129 PolarHBondContact O-N 3.06Å | ||
| 126 | L | 62.8 | Low | 60.7 | Low | 136 Ų | 136 | 117.2 Ų | 117.2 | 71% | 0.712 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -58.8 | -31.6 | 170.4 | -177.9 | 61.5 | 0 | 0 | 0 | 111.6 | V129 V130 | L126-V129 PolarHBondContact O-N 2.97Å; L126-V130 WeakPolarHBondContact O-CG2 3.43Å; L126-V130 PolarHBondContact O-N 3.01Å |
| 127 | A | 63.6 | Low | 63.1 | Low | 28 Ų | 28 | 112.3 Ų | 112.3 | 23% | 0.231 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -58.8 | -52.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S125 V129 V130 D131 | S125-A127 PolarHBondContact O-N 3.37Å; S125-A127 PolarHBondContact OG-N 2.71Å; A127-V129 PolarHBondContact O-N 3.09Å; A127-V129 VanDerWaalsContact O-N 3.14Å; A127-V130 CarbonylContact O-C 3.21Å; A127-V130 WeakPolarHBondContact O-CA 3.47Å; A127-V130 PolarHBondContact O-N 3.08Å; A127-D131 PolarHBondContact O-N 2.78Å |
| 128 | D | 78.4 | Confident | 64.5 | Low | 48 Ų | 48 | 114.3 Ų | 114.3 | 26% | 0.257 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -57.3 | -32.6 | 178.7 | -42.6 | -11.1 | 0 | 0 | 0 | 112.2 | G124 S125 S132 | G124-D128 WeakPolarHBondContact CA-OD2 3.18Å; G124-D128 PolarHBondContact N-OD2 2.9Å; S125-D128 PolarHBondContact N-OD2 3.34Å; S125-D128 WeakPolarHBondContact O-CB 3.49Å; S125-D128 PolarHBondContact O-N 3.42Å; S125-D128 VanDerWaalsContact O-N 3.13Å; D128-S132 WeakPolarHBondContact O-CB 3.4Å; D128-S132 PolarHBondContact O-N 3.29Å; D128-S132 PolarHBondContact O-OG 2.97Å |
| 129 | V | 78.9 | Confident | 66.3 | Low | 79 Ų | 79 | 113.4 Ų | 113.4 | 48% | 0.479 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -73.1 | -42.2 | 175 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | S125 L126 A127 L133 | S125-V129 PolarHBondContact O-N 3.06Å; L126-V129 PolarHBondContact O-N 2.97Å; A127-V129 PolarHBondContact O-N 3.09Å; A127-V129 VanDerWaalsContact O-N 3.14Å; V129-L133 VanDerWaalsContact O-CB 3.25Å; V129-L133 WeakPolarHBondContact O-CB 3.49Å; V129-L133 PolarHBondContact O-N 3.16Å |
| 130 | V | 81.3 | Confident | 67.5 | Low | 64 Ų | 64 | 112.2 Ų | 112.2 | 39% | 0.388 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.4 | -40.6 | 175.1 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | L126 A127 L133 K134 | L126-V130 WeakPolarHBondContact O-CG2 3.43Å; L126-V130 PolarHBondContact O-N 3.01Å; A127-V130 CarbonylContact O-C 3.21Å; A127-V130 WeakPolarHBondContact O-CA 3.47Å; A127-V130 PolarHBondContact O-N 3.08Å; V130-L133 PolarHBondContact O-N 2.77Å; V130-K134 HydrophobicContact CG1-CD 4.47Å; V130-K134 WeakPolarHBondContact O-CB 3.31Å; V130-K134 WeakPolarHBondContact O-CG 3.44Å; V130-K134 PolarHBondContact O-N 3.12Å |
| 131 | D | 77.4 | Confident | 67.5 | Low | 85 Ų | 85 | 108 Ų | 108 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.6 | -39.1 | 178.1 | -64.5 | -33 | 0 | 0 | 0 | 111 | A127 L133 K134 Q135 | A127-D131 PolarHBondContact O-N 2.78Å; D131-L133 VanDerWaalsContact C-N 3.3Å; D131-L133 PolarHBondContact O-N 3.5Å; D131-K134 PolarHBondContact O-N 2.98Å; D131-Q135 WeakPolarHBondContact O-CB 3.49Å; D131-Q135 PolarHBondContact O-N 2.78Å |
| 132 | S | 78.4 | Confident | 68.5 | Low | 79 Ų | 79 | 103.8 Ų | 103.8 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.1 | -36.2 | 169.3 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | D128 K136 | D128-S132 WeakPolarHBondContact O-CB 3.4Å; D128-S132 PolarHBondContact O-N 3.29Å; D128-S132 PolarHBondContact O-OG 2.97Å; S132-K136 VanDerWaalsContact O-CB 3.3Å; S132-K136 WeakPolarHBondContact O-CB 3.37Å; S132-K136 PolarHBondContact O-N 3.32Å |
| 133 | L | 78.3 | Confident | 68.9 | Low | 114 Ų | 114 | 98.2 Ų | 98.2 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.2 | -39.3 | 177.6 | -176.9 | 62.3 | 0 | 0 | 0 | 111.6 | V129 V130 D131 K136 K137 | V129-L133 VanDerWaalsContact O-CB 3.25Å; V129-L133 WeakPolarHBondContact O-CB 3.49Å; V129-L133 PolarHBondContact O-N 3.16Å; V130-L133 PolarHBondContact O-N 2.77Å; D131-L133 VanDerWaalsContact C-N 3.3Å; D131-L133 PolarHBondContact O-N 3.5Å; L133-K136 PolarHBondContact O-N 3.02Å; L133-K137 VanDerWaalsContact O-CB 3.29Å; L133-K137 WeakPolarHBondContact O-CB 3.48Å; L133-K137 PolarHBondContact O-N 3.15Å |
| 134 | K | 77.8 | Confident | 69.1 | Low | 136 Ų | 136 | 92.4 Ų | 92.4 | 59% | 0.591 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.7 | -45.4 | 170.8 | -80 | 178.2 | 173.5 | 177.8 | 0 | 111.4 | V130 D131 K137 L138 | V130-K134 HydrophobicContact CG1-CD 4.47Å; V130-K134 WeakPolarHBondContact O-CB 3.31Å; V130-K134 WeakPolarHBondContact O-CG 3.44Å; V130-K134 PolarHBondContact O-N 3.12Å; D131-K134 PolarHBondContact O-N 2.98Å; K134-K137 PolarHBondContact O-N 3Å; K134-L138 WeakPolarHBondContact O-CB 3.44Å; K134-L138 PolarHBondContact O-N 3.3Å |
| 135 | Q | 73.4 | Confident | 69.1 | Low | 135 Ų | 135 | 93.7 Ų | 93.7 | 63% | 0.631 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.5 | -43.2 | 177.6 | -173.4 | 154.6 | 7.5 | 0 | 0 | 111.2 | D131 K137 L138 E139 | D131-Q135 WeakPolarHBondContact O-CB 3.49Å; D131-Q135 PolarHBondContact O-N 2.78Å; Q135-K137 VanDerWaalsContact C-N 3.31Å; Q135-K137 PolarHBondContact O-N 2.85Å; Q135-L138 PolarHBondContact O-N 3.37Å; Q135-E139 VanDerWaalsContact O-CB 3.23Å; Q135-E139 WeakPolarHBondContact O-CB 3.43Å; Q135-E139 PolarHBondContact O-N 3.46Å |
| 136 | K | 75.8 | Confident | 68.1 | Low | 126 Ų | 126 | 98.5 Ų | 98.5 | 55% | 0.548 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 172 | -168.1 | -167.2 | 174.6 | -153.2 | 0 | 112.1 | S132 L133 E139 E140 | S132-K136 VanDerWaalsContact O-CB 3.3Å; S132-K136 WeakPolarHBondContact O-CB 3.37Å; S132-K136 PolarHBondContact O-N 3.32Å; L133-K136 PolarHBondContact O-N 3.02Å; K136-E139 PolarHBondContact O-N 3.24Å; K136-E140 WeakPolarHBondContact O-CB 3.48Å; K136-E140 PolarHBondContact O-N 3.17Å |
| 137 | K | 79 | Confident | 67.3 | Low | 111 Ų | 111 | 96.3 Ų | 96.3 | 48% | 0.483 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 177.9 | -170.2 | 71.3 | -158.8 | 163.8 | 0 | 111.9 | L133 K134 Q135 E140 M141 | L133-K137 VanDerWaalsContact O-CB 3.29Å; L133-K137 WeakPolarHBondContact O-CB 3.48Å; L133-K137 PolarHBondContact O-N 3.15Å; K134-K137 PolarHBondContact O-N 3Å; Q135-K137 VanDerWaalsContact C-N 3.31Å; Q135-K137 PolarHBondContact O-N 2.85Å; K137-E140 WeakPolarHBondContact CD-OE2 3.37Å; K137-E140 WeakPolarHBondContact CE-OE2 3.44Å; K137-E140 IonicContact NZ-OE2 2.7Å; K137-E140 PolarHBondContact NZ-OE2 3.2Å; K137-M141 WeakPolarHBondContact O-CG 3.45Å; K137-M141 PolarHBondContact O-N 3.22Å; K137-M141 VanDerWaalsContact O-N 3.07Å |
| 138 | L | 69.8 | Low | 66.4 | Low | 106 Ų | 106 | 101.3 Ų | 101.3 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.4 | -48.1 | 173.2 | -176.2 | 64.6 | 0 | 0 | 0 | 111.1 | K134 Q135 E140 M141 T142 | K134-L138 WeakPolarHBondContact O-CB 3.44Å; K134-L138 PolarHBondContact O-N 3.3Å; Q135-L138 PolarHBondContact O-N 3.37Å; L138-E140 VanDerWaalsContact C-N 3.31Å; L138-E140 PolarHBondContact O-N 3.26Å; L138-M141 HydrophobicContact CD1-CE 4.44Å; L138-M141 PolarHBondContact O-N 2.95Å; L138-T142 PolarHBondContact O-N 3.22Å; L138-T142 PolarHBondContact O-OG1 3.36Å |
| 139 | E | 70.9 | Confident | 64.9 | Low | 126 Ų | 126 | 102.4 Ų | 102.4 | 59% | 0.589 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.1 | -31.3 | 178.7 | -168 | 173.4 | -113.8 | 0 | 0 | 112.5 | Q135 K136 T142 K143 | Q135-E139 VanDerWaalsContact O-CB 3.23Å; Q135-E139 WeakPolarHBondContact O-CB 3.43Å; Q135-E139 PolarHBondContact O-N 3.46Å; K136-E139 PolarHBondContact O-N 3.24Å; E139-T142 PolarHBondContact O-OG1 2.98Å; E139-K143 WeakPolarHBondContact O-CB 3.28Å; E139-K143 PolarHBondContact O-N 3.18Å |
| 140 | E | 70.5 | Confident | 63.5 | Low | 89 Ų | 89 | 100.2 Ų | 100.2 | 42% | 0.416 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -49.9 | 170.6 | -178.3 | 176.3 | -99.6 | 0 | 0 | 111.3 | K136 K137 L138 K143 T144 | K136-E140 WeakPolarHBondContact O-CB 3.48Å; K136-E140 PolarHBondContact O-N 3.17Å; K137-E140 WeakPolarHBondContact CD-OE2 3.37Å; K137-E140 WeakPolarHBondContact CE-OE2 3.44Å; K137-E140 IonicContact NZ-OE2 2.7Å; K137-E140 PolarHBondContact NZ-OE2 3.2Å; L138-E140 VanDerWaalsContact C-N 3.31Å; L138-E140 PolarHBondContact O-N 3.26Å; E140-K143 PolarHBondContact O-N 2.97Å; E140-T144 PolarHBondContact O-N 3.04Å; E140-T144 PolarHBondContact O-OG1 3.41Å |
| 141 | M | 51.2 | Low | 61.7 | Low | 97 Ų | 97 | 100.4 Ų | 100.4 | 48% | 0.478 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 179.7 | -68.8 | -173.6 | -43.1 | 0 | 0 | 112.9 | K137 L138 K143 T144 | K137-M141 WeakPolarHBondContact O-CG 3.45Å; K137-M141 PolarHBondContact O-N 3.22Å; K137-M141 VanDerWaalsContact O-N 3.07Å; L138-M141 HydrophobicContact CD1-CE 4.44Å; L138-M141 PolarHBondContact O-N 2.95Å; M141-K143 VanDerWaalsContact C-N 3.27Å; M141-K143 PolarHBondContact O-N 3.35Å; M141-T144 WeakPolarHBondContact CA-OG1 3.37Å; M141-T144 PolarHBondContact O-OG1 3.24Å |
| 142 | T | 62.3 | Low | 60.5 | Low | 81 Ų | 81 | 102 Ų | 102 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.6 | -25.4 | 176.3 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | L138 E139 | L138-T142 PolarHBondContact O-N 3.22Å; L138-T142 PolarHBondContact O-OG1 3.36Å; E139-T142 PolarHBondContact O-OG1 2.98Å |
| 143 | K | 54.6 | Low | 59.7 | Low | 119 Ų | 119 | 104.1 Ų | 104.1 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -76.6 | -34.7 | 178.1 | -176.4 | 170.2 | -173.3 | -76.6 | 0 | 112.7 | E139 E140 M141 E145 Q146 D147 | E139-K143 WeakPolarHBondContact O-CB 3.28Å; E139-K143 PolarHBondContact O-N 3.18Å; E140-K143 PolarHBondContact O-N 2.97Å; M141-K143 VanDerWaalsContact C-N 3.27Å; M141-K143 PolarHBondContact O-N 3.35Å; K143-E145 PolarHBondContact O-N 3.5Å; K143-Q146 PolarHBondContact O-N 3.41Å; K143-Q146 VanDerWaalsContact O-N 3.16Å; K143-D147 WeakPolarHBondContact CE-OD2 3.46Å; K143-D147 IonicContact NZ-OD2 2.7Å; K143-D147 PolarHBondContact NZ-OD2 3.27Å; K143-D147 PolarHBondContact O-N 3.3Å |
| 144 | T | 45.7 | Very low | 59 | Low | 76 Ų | 76 | 104.4 Ų | 104.4 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -55 | -48.9 | 178.1 | 13.8 | 0 | 0 | 0 | 0 | 112.3 | E140 M141 Q146 D147 E148 | E140-T144 PolarHBondContact O-N 3.04Å; E140-T144 PolarHBondContact O-OG1 3.41Å; M141-T144 WeakPolarHBondContact CA-OG1 3.37Å; M141-T144 PolarHBondContact O-OG1 3.24Å; T144-Q146 VanDerWaalsContact C-N 3.28Å; T144-Q146 PolarHBondContact O-N 3.41Å; T144-D147 PolarHBondContact O-N 2.96Å; T144-E148 WeakPolarHBondContact O-CG 3.49Å; T144-E148 PolarHBondContact O-N 2.83Å |
| 145 | E | 53.3 | Low | 58.2 | Low | 86 Ų | 86 | 102.4 Ų | 102.4 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -35.4 | 178.8 | -61.7 | -170.5 | 94.6 | 0 | 0 | 112.9 | K143 S149 K212 | K143-E145 PolarHBondContact O-N 3.5Å; E145-S149 WeakPolarHBondContact O-CB 3.44Å; E145-S149 PolarHBondContact O-N 3.34Å; E145-S149 PolarHBondContact O-OG 2.94Å; E145-K212 WeakPolarHBondContact OE1-CE 3.5Å; E145-K212 IonicContact OE1-NZ 3.22Å; E145-K212 PolarHBondContact OE1-NZ 2.95Å; E145-K212 WeakPolarHBondContact OE2-CE 3.42Å; E145-K212 IonicContact OE2-NZ 2.9Å; E145-K212 PolarHBondContact OE2-NZ 3.36Å |
| 146 | Q | 46.2 | Very low | 57.6 | Low | 147 Ų | 147 | 101.5 Ų | 101.5 | 69% | 0.687 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -79.2 | -34.4 | -177.3 | -164.9 | 172.2 | 26.8 | 0 | 0 | 113.1 | K143 T144 S149 S150 | K143-Q146 PolarHBondContact O-N 3.41Å; K143-Q146 VanDerWaalsContact O-N 3.16Å; T144-Q146 VanDerWaalsContact C-N 3.28Å; T144-Q146 PolarHBondContact O-N 3.41Å; Q146-S149 PolarHBondContact O-OG 3.5Å; Q146-S150 WeakPolarHBondContact O-CB 3.39Å; Q146-S150 PolarHBondContact O-N 3.27Å |
| 147 | D | 45.9 | Very low | 57.1 | Low | 90 Ų | 90 | 98.6 Ų | 98.6 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74.8 | -37.3 | 174.2 | -88.6 | -28.9 | 0 | 0 | 0 | 112 | K143 T144 C151 | K143-D147 WeakPolarHBondContact CE-OD2 3.46Å; K143-D147 IonicContact NZ-OD2 2.7Å; K143-D147 PolarHBondContact NZ-OD2 3.27Å; K143-D147 PolarHBondContact O-N 3.3Å; T144-D147 PolarHBondContact O-N 2.96Å; D147-C151 VanDerWaalsContact O-CB 3.26Å; D147-C151 WeakPolarHBondContact O-CB 3.35Å; D147-C151 PolarHBondContact O-N 3.13Å |
| 148 | E | 46.3 | Very low | 56.6 | Low | 134 Ų | 134 | 100.8 Ų | 100.8 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71 | -47.3 | 179.6 | -71.7 | -173.3 | 154.6 | 0 | 0 | 112.6 | T144 S150 C151 M152 | T144-E148 WeakPolarHBondContact O-CG 3.49Å; T144-E148 PolarHBondContact O-N 2.83Å; E148-S150 VanDerWaalsContact C-N 3.33Å; E148-S150 PolarHBondContact O-N 2.92Å; E148-C151 WeakPolarHBondContact O-CB 3.27Å; E148-C151 PolarHBondContact O-N 2.9Å; E148-M152 PolarHBondContact O-N 3.45Å |
| 149 | S | 46 | Very low | 56.4 | Low | 71 Ų | 71 | 100.5 Ų | 100.5 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.7 | -46.2 | 174.2 | 52.8 | 0 | 0 | 0 | 0 | 111.5 | E145 Q146 C151 M152 E153 | E145-S149 WeakPolarHBondContact O-CB 3.44Å; E145-S149 PolarHBondContact O-N 3.34Å; E145-S149 PolarHBondContact O-OG 2.94Å; Q146-S149 PolarHBondContact O-OG 3.5Å; S149-C151 VanDerWaalsContact C-N 3.25Å; S149-C151 PolarHBondContact O-N 2.93Å; S149-M152 PolarHBondContact O-N 2.92Å; S149-E153 VanDerWaalsContact O-CB 3.32Å; S149-E153 WeakPolarHBondContact O-CB 3.43Å; S149-E153 PolarHBondContact O-N 3.43Å |
| 150 | S | 49.9 | Very low | 56 | Low | 33 Ų | 33 | 102 Ų | 102 | 23% | 0.231 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -74.4 | -11.7 | 177.7 | -153.5 | 0 | 0 | 0 | 0 | 113.4 | Q146 E148 K154 | Q146-S150 WeakPolarHBondContact O-CB 3.39Å; Q146-S150 PolarHBondContact O-N 3.27Å; E148-S150 VanDerWaalsContact C-N 3.33Å; E148-S150 PolarHBondContact O-N 2.92Å; S150-K154 VanDerWaalsContact O-CG 3.24Å; S150-K154 WeakPolarHBondContact O-CG 3.36Å; S150-K154 PolarHBondContact O-NZ 3.42Å; S150-K154 PolarHBondContact OG-NZ 3.38Å |
| 151 | C | 43.5 | Very low | 55.5 | Low | 67 Ų | 67 | 103.4 Ų | 103.4 | 45% | 0.453 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -78.1 | -52.2 | 169.4 | -168.8 | 0 | 0 | 0 | 0 | 110.5 | D147 E148 S149 E153 K154 L155 | D147-C151 VanDerWaalsContact O-CB 3.26Å; D147-C151 WeakPolarHBondContact O-CB 3.35Å; D147-C151 PolarHBondContact O-N 3.13Å; E148-C151 WeakPolarHBondContact O-CB 3.27Å; E148-C151 PolarHBondContact O-N 2.9Å; S149-C151 VanDerWaalsContact C-N 3.25Å; S149-C151 PolarHBondContact O-N 2.93Å; C151-E153 PolarHBondContact O-N 3.2Å; C151-K154 PolarHBondContact O-N 2.98Å; C151-K154 VanDerWaalsContact O-N 3.1Å; C151-L155 PolarHBondContact O-N 3.01Å |
| 152 | M | 51.7 | Low | 56.4 | Low | 120 Ų | 120 | 103.8 Ų | 103.8 | 59% | 0.591 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.4 | -44.2 | 178.4 | -70.5 | -67.4 | -74.3 | 0 | 0 | 112 | E148 S149 K154 L155 L156 | E148-M152 PolarHBondContact O-N 3.45Å; S149-M152 PolarHBondContact O-N 2.92Å; M152-K154 VanDerWaalsContact C-N 3.29Å; M152-K154 PolarHBondContact O-N 2.9Å; M152-L155 PolarHBondContact O-N 2.67Å; M152-L156 WeakPolarHBondContact O-CG 3.36Å; M152-L156 PolarHBondContact O-N 2.93Å |
| 153 | E | 61.4 | Low | 56.4 | Low | 122 Ų | 122 | 107.1 Ų | 107.1 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.3 | -39.8 | 174.8 | -177 | -177 | -137 | 0 | 0 | 112.1 | S149 C151 S157 | S149-E153 VanDerWaalsContact O-CB 3.32Å; S149-E153 WeakPolarHBondContact O-CB 3.43Å; S149-E153 PolarHBondContact O-N 3.43Å; C151-E153 PolarHBondContact O-N 3.2Å; E153-S157 WeakPolarHBondContact O-CB 3.34Å; E153-S157 PolarHBondContact O-N 3.36Å; E153-S157 PolarHBondContact O-OG 3.44Å |
| 154 | K | 63.8 | Low | 56.7 | Low | 121 Ų | 121 | 105.7 Ų | 105.7 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -76.2 | -30.8 | 179.6 | -74.1 | -176.5 | -157.8 | 79.3 | 0 | 113.9 | S150 C151 M152 K158 | S150-K154 VanDerWaalsContact O-CG 3.24Å; S150-K154 WeakPolarHBondContact O-CG 3.36Å; S150-K154 PolarHBondContact O-NZ 3.42Å; S150-K154 PolarHBondContact OG-NZ 3.38Å; C151-K154 PolarHBondContact O-N 2.98Å; C151-K154 VanDerWaalsContact O-N 3.1Å; M152-K154 VanDerWaalsContact C-N 3.29Å; M152-K154 PolarHBondContact O-N 2.9Å; K154-K158 PolarHBondContact O-N 3.28Å |
| 155 | L | 60.4 | Low | 57.6 | Low | 93 Ų | 93 | 107.6 Ų | 107.6 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -58.7 | 171 | -105.7 | 67.3 | 0 | 0 | 0 | 109.4 | C151 M152 S157 K158 D159 | C151-L155 PolarHBondContact O-N 3.01Å; M152-L155 PolarHBondContact O-N 2.67Å; L155-S157 VanDerWaalsContact C-N 3.28Å; L155-S157 PolarHBondContact O-N 3.09Å; L155-K158 PolarHBondContact O-N 2.99Å; L155-D159 PolarHBondContact O-N 3.27Å |
| 156 | L | 61 | Low | 58.1 | Low | 116 Ų | 116 | 112.2 Ų | 112.2 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.3 | -41.4 | -179.9 | -64.3 | 171.2 | 0 | 0 | 0 | 111.8 | M152 K158 W160 | M152-L156 WeakPolarHBondContact O-CG 3.36Å; M152-L156 PolarHBondContact O-N 2.93Å; L156-K158 VanDerWaalsContact C-N 3.29Å; L156-K158 PolarHBondContact O-N 3.26Å; L156-W160 WeakPolarHBondContact O-CB 3.33Å; L156-W160 PolarHBondContact O-N 2.92Å |
| 157 | S | 65.2 | Low | 58.5 | Low | 65 Ų | 65 | 110 Ų | 110 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -27 | 176.6 | -64.4 | 0 | 0 | 0 | 0 | 114.1 | E153 L155 K161 | E153-S157 WeakPolarHBondContact O-CB 3.34Å; E153-S157 PolarHBondContact O-N 3.36Å; E153-S157 PolarHBondContact O-OG 3.44Å; L155-S157 VanDerWaalsContact C-N 3.28Å; L155-S157 PolarHBondContact O-N 3.09Å; S157-K161 VanDerWaalsContact O-CB 3.26Å; S157-K161 WeakPolarHBondContact O-CB 3.5Å |
| 158 | K | 70.1 | Confident | 58.7 | Low | 158 Ų | 158 | 110.8 Ų | 110.8 | 69% | 0.687 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -82.4 | -53.6 | 174.4 | -91.6 | -169.4 | 164.6 | -161.5 | 0 | 111.4 | K154 L155 L156 W160 K161 E162 | K154-K158 PolarHBondContact O-N 3.28Å; L155-K158 PolarHBondContact O-N 2.99Å; L156-K158 VanDerWaalsContact C-N 3.29Å; L156-K158 PolarHBondContact O-N 3.26Å; K158-W160 PolarHBondContact O-N 2.92Å; K158-K161 PolarHBondContact O-N 2.95Å; K158-K161 VanDerWaalsContact O-N 3.11Å; K158-E162 PolarHBondContact O-N 2.97Å |
| 159 | D | 64.4 | Low | 59.1 | Low | 100 Ų | 100 | 108.8 Ų | 108.8 | 54% | 0.535 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.7 | -38.4 | -170.7 | -60.3 | -27.3 | 0 | 0 | 0 | 111.3 | L155 K163 | L155-D159 PolarHBondContact O-N 3.27Å; D159-K163 WeakPolarHBondContact O-CB 3.42Å; D159-K163 PolarHBondContact O-N 3.32Å; D159-K163 VanDerWaalsContact O-N 3.1Å |
| 160 | W | 62.3 | Low | 59.5 | Low | 157 Ų | 157 | 110.5 Ų | 110.5 | 60% | 0.595 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.9 | -39.4 | 173.3 | 109.4 | -78.9 | 0 | 0 | 0 | 111.6 | L156 K158 K163 M164 | L156-W160 WeakPolarHBondContact O-CB 3.33Å; L156-W160 PolarHBondContact O-N 2.92Å; K158-W160 PolarHBondContact O-N 2.92Å; W160-K163 CarbonylContact O-C 3.6Å; W160-K163 PolarHBondContact O-N 3.11Å; W160-M164 HydrophobicContact CE3-SD 4.33Å; W160-M164 HydrophobicContact CH2-CE 3.85Å; W160-M164 HydrophobicContact CH2-SD 4.3Å; W160-M164 HydrophobicContact CZ3-CE 3.74Å; W160-M164 HydrophobicContact CZ3-CG 4.34Å; W160-M164 HydrophobicContact CZ3-SD 3.69Å; W160-M164 WeakPolarHBondContact O-CB 3.5Å; W160-M164 PolarHBondContact O-N 3.2Å |
| 161 | K | 60.8 | Low | 59.7 | Low | 118 Ų | 118 | 115.2 Ų | 115.2 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.6 | -46.3 | -178 | -178.4 | 175.4 | 177.6 | -179.2 | 0 | 111 | S157 K158 K163 M164 D165 | S157-K161 VanDerWaalsContact O-CB 3.26Å; S157-K161 WeakPolarHBondContact O-CB 3.5Å; K158-K161 PolarHBondContact O-N 2.95Å; K158-K161 VanDerWaalsContact O-N 3.11Å; K161-K163 PolarHBondContact O-N 3.4Å; K161-M164 WeakPolarHBondContact O-CB 3.41Å; K161-M164 PolarHBondContact O-N 2.96Å; K161-M164 VanDerWaalsContact O-N 3.09Å; K161-D165 WeakPolarHBondContact CE-OD2 3.45Å; K161-D165 WeakPolarHBondContact O-CB 3.46Å; K161-D165 PolarHBondContact O-N 3.45Å |
| 162 | E | 69.6 | Low | 60.1 | Low | 105 Ų | 105 | 117.5 Ų | 117.5 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.1 | -35.6 | 176.3 | -161.4 | -172.1 | 130.5 | 0 | 0 | 111.1 | K158 M164 R166 | K158-E162 PolarHBondContact O-N 2.97Å; E162-M164 VanDerWaalsContact C-N 3.34Å; E162-R166 VanDerWaalsContact O-CB 3.3Å; E162-R166 WeakPolarHBondContact O-CB 3.46Å; E162-R166 VanDerWaalsContact O-CD 3.32Å; E162-R166 WeakPolarHBondContact O-CD 3.37Å; E162-R166 WeakPolarHBondContact O-CG 3.47Å; E162-R166 PolarHBondContact O-N 3.19Å; E162-R166 IonicContact OE1-CZ 2.65Å; E162-R166 VanDerWaalsContact OE1-CZ 3.22Å; E162-R166 IonicContact OE1-NE 3.48Å; E162-R166 PolarHBondContact OE1-NE 2.97Å; E162-R166 IonicContact OE1-NH2 3.83Å; E162-R166 PolarHBondContact OE1-NH2 2.98Å |
| 163 | K | 62.7 | Low | 60.2 | Low | 151 Ų | 151 | 118.4 Ų | 118.4 | 66% | 0.657 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69 | -29.9 | 174 | -167.8 | 172.9 | -176.3 | 179.3 | 0 | 113.2 | D159 W160 K161 L167 | D159-K163 WeakPolarHBondContact O-CB 3.42Å; D159-K163 PolarHBondContact O-N 3.32Å; D159-K163 VanDerWaalsContact O-N 3.1Å; W160-K163 CarbonylContact O-C 3.6Å; W160-K163 PolarHBondContact O-N 3.11Å; K161-K163 PolarHBondContact O-N 3.4Å; K163-L167 WeakPolarHBondContact O-CD1 3.22Å; K163-L167 WeakPolarHBondContact O-CG 3.46Å |
| 164 | M | 60 | Low | 60 | Low | 90 Ų | 90 | 116.8 Ų | 116.8 | 44% | 0.443 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.5 | -48 | 173.7 | -164.2 | 80.2 | 150.9 | 0 | 0 | 111.2 | W160 K161 E162 R166 L167 | W160-M164 HydrophobicContact CE3-SD 4.33Å; W160-M164 HydrophobicContact CH2-CE 3.85Å; W160-M164 HydrophobicContact CH2-SD 4.3Å; W160-M164 HydrophobicContact CZ3-CE 3.74Å; W160-M164 HydrophobicContact CZ3-CG 4.34Å; W160-M164 HydrophobicContact CZ3-SD 3.69Å; W160-M164 WeakPolarHBondContact O-CB 3.5Å; W160-M164 PolarHBondContact O-N 3.2Å; K161-M164 WeakPolarHBondContact O-CB 3.41Å; K161-M164 PolarHBondContact O-N 2.96Å; K161-M164 VanDerWaalsContact O-N 3.09Å; E162-M164 VanDerWaalsContact C-N 3.34Å; M164-R166 PolarHBondContact O-N 3.29Å; M164-L167 PolarHBondContact O-N 3.02Å |
| 165 | D | 65.4 | Low | 59.3 | Low | 116 Ų | 116 | 119 Ų | 119 | 62% | 0.62 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.5 | -19.3 | 177.3 | -66.2 | -20.6 | 0 | 0 | 0 | 111.9 | K161 | K161-D165 WeakPolarHBondContact CE-OD2 3.45Å; K161-D165 WeakPolarHBondContact O-CB 3.46Å; K161-D165 PolarHBondContact O-N 3.45Å |
| 166 | R | 64.1 | Low | 59.1 | Low | 183 Ų | 183 | 119 Ų | 119 | 69% | 0.691 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -7.8 | 171.6 | -74.4 | 169.4 | -178.6 | -76.4 | 3.3 | 114.5 | E162 M164 | E162-R166 VanDerWaalsContact O-CB 3.3Å; E162-R166 WeakPolarHBondContact O-CB 3.46Å; E162-R166 VanDerWaalsContact O-CD 3.32Å; E162-R166 WeakPolarHBondContact O-CD 3.37Å; E162-R166 WeakPolarHBondContact O-CG 3.47Å; E162-R166 PolarHBondContact O-N 3.19Å; E162-R166 IonicContact OE1-CZ 2.65Å; E162-R166 VanDerWaalsContact OE1-CZ 3.22Å; E162-R166 IonicContact OE1-NE 3.48Å; E162-R166 PolarHBondContact OE1-NE 2.97Å; E162-R166 IonicContact OE1-NH2 3.83Å; E162-R166 PolarHBondContact OE1-NH2 2.98Å; M164-R166 PolarHBondContact O-N 3.29Å |
| 167 | L | 54.6 | Low | 58.7 | Low | 101 Ų | 101 | 123.4 Ų | 123.4 | 53% | 0.529 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -102.4 | 103.5 | 176.6 | -75 | 166.5 | 0 | 0 | 0 | 109.2 | K163 M164 T169 | K163-L167 WeakPolarHBondContact O-CD1 3.22Å; K163-L167 WeakPolarHBondContact O-CG 3.46Å; M164-L167 PolarHBondContact O-N 3.02Å; L167-T169 VanDerWaalsContact C-N 3.32Å; L167-T169 PolarHBondContact O-N 3.46Å |
| 168 | N | 49.2 | Very low | 58.5 | Low | 105 Ų | 105 | 123.1 Ų | 123.1 | 56% | 0.561 | 63% | 0.627 | S | S | * | * | trans | -62.9 | 89.5 | 173.9 | -91.1 | -14.7 | 0 | 0 | 0 | 110.8 | S170 E171 L172 | N168-S170 PolarHBondContact O-N 2.89Å; N168-E171 HydrophobicContact CB-CB 3.66Å; N168-E171 WeakPolarHBondContact CB-OE2 3.49Å; N168-E171 PolarHBondContact ND2-OE2 3.49Å; N168-E171 PolarHBondContact O-N 3.44Å; N168-L172 PolarHBondContact O-N 3.08Å | ||
| 169 | T | 55.8 | Low | 57.9 | Low | 93 Ų | 93 | 120.6 Ų | 120.6 | 57% | 0.571 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.9 | -34.6 | 177.8 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | L167 E171 L173 | L167-T169 VanDerWaalsContact C-N 3.32Å; L167-T169 PolarHBondContact O-N 3.46Å; T169-E171 VanDerWaalsContact C-N 3.25Å; T169-E171 PolarHBondContact O-N 3.34Å; T169-L173 VanDerWaalsContact O-CB 3.3Å; T169-L173 WeakPolarHBondContact O-CB 3.35Å; T169-L173 WeakPolarHBondContact O-CG 3.46Å; T169-L173 PolarHBondContact O-N 2.99Å; T169-L173 VanDerWaalsContact O-N 3.07Å |
| 170 | S | 54.4 | Low | 57.8 | Low | 106 Ų | 106 | 121 Ų | 121 | 74% | 0.741 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.6 | -18.4 | 175.7 | -170.8 | 0 | 0 | 0 | 0 | 114.4 | N168 | N168-S170 PolarHBondContact O-N 2.89Å |
| 171 | E | 53.6 | Low | 57.7 | Low | 132 Ų | 132 | 121.5 Ų | 121.5 | 62% | 0.617 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -96.1 | -44.1 | -179.8 | -165.5 | 165.6 | -157.8 | 0 | 0 | 109.4 | N168 T169 L173 A174 | N168-E171 HydrophobicContact CB-CB 3.66Å; N168-E171 WeakPolarHBondContact CB-OE2 3.49Å; N168-E171 PolarHBondContact ND2-OE2 3.49Å; N168-E171 PolarHBondContact O-N 3.44Å; T169-E171 VanDerWaalsContact C-N 3.25Å; T169-E171 PolarHBondContact O-N 3.34Å; E171-L173 PolarHBondContact O-N 3.09Å; E171-A174 WeakPolarHBondContact O-CB 3.24Å; E171-A174 PolarHBondContact O-N 2.89Å |
| 172 | L | 52.3 | Low | 58.6 | Low | 116 Ų | 116 | 117.3 Ų | 117.3 | 61% | 0.607 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.8 | -36.7 | 176.3 | -139.8 | 100 | 0 | 0 | 0 | 113 | N168 A174 E175 | N168-L172 PolarHBondContact O-N 3.08Å; L172-A174 PolarHBondContact O-N 3.24Å; L172-E175 PolarHBondContact O-N 3.12Å |
| 173 | L | 53.6 | Low | 59.2 | Low | 138 Ų | 138 | 116.6 Ų | 116.6 | 72% | 0.723 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -20.3 | 178 | -84.9 | 167.1 | 0 | 0 | 0 | 113.8 | T169 E171 E175 | T169-L173 VanDerWaalsContact O-CB 3.3Å; T169-L173 WeakPolarHBondContact O-CB 3.35Å; T169-L173 WeakPolarHBondContact O-CG 3.46Å; T169-L173 PolarHBondContact O-N 2.99Å; T169-L173 VanDerWaalsContact O-N 3.07Å; E171-L173 PolarHBondContact O-N 3.09Å; L173-E175 VanDerWaalsContact C-N 3.33Å |
| 174 | A | 55.8 | Low | 60.1 | Low | 88 Ų | 88 | 112 Ų | 112 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -20.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E171 L172 | E171-A174 WeakPolarHBondContact O-CB 3.24Å; E171-A174 PolarHBondContact O-N 2.89Å; L172-A174 PolarHBondContact O-N 3.24Å |
| 175 | E | 50.4 | Low | 61.2 | Low | 169 Ų | 169 | 114.2 Ų | 114.2 | 79% | 0.79 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -14.4 | -170.7 | -155.4 | 170.2 | -140.7 | 0 | 0 | 113.8 | L172 L173 K177 | L172-E175 PolarHBondContact O-N 3.12Å; L173-E175 VanDerWaalsContact C-N 3.33Å; E175-K177 VanDerWaalsContact C-N 3.26Å; E175-K177 PolarHBondContact O-N 2.84Å |
| 176 | V | 54.8 | Low | 62.3 | Low | 91 Ų | 91 | 114.4 Ų | 114.4 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | trans | -77.1 | 70.3 | -178.4 | -172.3 | 0 | 0 | 0 | 0 | 111.9 | G178 L183 | V176-G178 PolarHBondContact O-N 3.48Å; V176-L183 HydrophobicContact CG1-CD1 4.38Å | ||
| 177 | K | 54 | Low | 63.4 | Low | 210 Ų | 210 | 111.1 Ų | 111.1 | 91% | 0.913 | 62% | 0.619 | S | S | * | * | trans | -82.1 | 52.6 | 171.6 | -160.9 | 176.4 | -178.6 | 176.9 | 0 | 112 | E175 | E175-K177 VanDerWaalsContact C-N 3.26Å; E175-K177 PolarHBondContact O-N 2.84Å | ||
| 178 | G | 60.2 | Low | 65.2 | Low | 59 Ų | 59 | 112.7 Ų | 112.7 | 61% | 0.608 | 62% | 0.623 | S | S | * | * | trans | -84.4 | 163.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V176 | V176-G178 PolarHBondContact O-N 3.48Š| ||
| 179 | T | 58.6 | Low | 67.4 | Low | 104 Ų | 104 | 112.4 Ų | 112.4 | 64% | 0.638 | 62% | 0.618 | S | S | * | * | trans | -72.6 | 139.3 | 167.4 | 42.8 | 0 | 0 | 0 | 0 | 110.2 | E181 G182 L183 | T179-E181 PolarHBondContact O-N 2.94Å; T179-G182 PolarHBondContact O-N 3.43Å; T179-G182 VanDerWaalsContact O-N 3.14Å; T179-L183 PolarHBondContact O-N 3.44Å | ||
| 180 | P | 62.2 | Low | 69.3 | Low | 109 Ų | 109 | 113 Ų | 113 | 71% | 0.708 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.3 | -36.8 | -169.5 | 23.3 | -33.5 | 0 | 0 | 0 | 113.5 | G182 L183 A184 | P180-G182 VanDerWaalsContact C-N 3.32Å; P180-G182 PolarHBondContact O-N 2.96Å; P180-L183 WeakPolarHBondContact O-CB 3.35Å; P180-L183 PolarHBondContact O-N 3.35Å; P180-A184 PolarHBondContact O-N 3.44Å |
| 181 | E | 59.8 | Low | 71 | Confident | 167 Ų | 167 | 110.9 Ų | 110.9 | 78% | 0.78 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.6 | -38.8 | 176.2 | -62.9 | 176.6 | 136.4 | 0 | 0 | 112 | T179 L183 A184 E185 | T179-E181 PolarHBondContact O-N 2.94Å; E181-L183 VanDerWaalsContact C-N 3.28Å; E181-L183 PolarHBondContact O-N 2.86Å; E181-A184 PolarHBondContact O-N 3.21Å; E181-E185 PolarHBondContact O-N 2.93Å |
| 182 | G | 79.6 | Confident | 73 | Confident | 31 Ų | 31 | 107.4 Ų | 107.4 | 32% | 0.32 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.1 | -21.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | T179 P180 K186 | T179-G182 PolarHBondContact O-N 3.43Å; T179-G182 VanDerWaalsContact O-N 3.14Å; P180-G182 VanDerWaalsContact C-N 3.32Å; P180-G182 PolarHBondContact O-N 2.96Å; G182-K186 WeakPolarHBondContact O-CG 3.44Å |
| 183 | L | 81.8 | Confident | 75.1 | Confident | 90 Ų | 90 | 106.9 Ų | 106.9 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.8 | -50.6 | 169.3 | -166.7 | 83.8 | 0 | 0 | 0 | 110.3 | V176 T179 P180 E181 E185 K186 E187 | V176-L183 HydrophobicContact CG1-CD1 4.38Å; T179-L183 PolarHBondContact O-N 3.44Å; P180-L183 WeakPolarHBondContact O-CB 3.35Å; P180-L183 PolarHBondContact O-N 3.35Å; E181-L183 VanDerWaalsContact C-N 3.28Å; E181-L183 PolarHBondContact O-N 2.86Å; L183-E185 VanDerWaalsContact C-N 3.34Å; L183-E185 PolarHBondContact O-N 2.99Å; L183-K186 CarbonylContact O-C 3.58Å; L183-K186 WeakPolarHBondContact O-CA 3.2Å; L183-K186 WeakPolarHBondContact O-CB 3.4Å; L183-K186 PolarHBondContact O-N 3.3Å; L183-E187 PolarHBondContact O-N 3.46Å |
| 184 | A | 81.3 | Confident | 77 | Confident | 53 Ų | 53 | 104.2 Ų | 104.2 | 44% | 0.438 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.1 | -39 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P180 E181 K186 E187 H188 | P180-A184 PolarHBondContact O-N 3.44Å; E181-A184 PolarHBondContact O-N 3.21Å; A184-K186 VanDerWaalsContact C-N 3.29Å; A184-K186 PolarHBondContact O-N 3.37Å; A184-E187 PolarHBondContact O-N 3.42Å; A184-H188 WeakPolarHBondContact O-CB 3.5Å; A184-H188 PolarHBondContact O-N 3.12Å |
| 185 | E | 84.8 | Confident | 78.9 | Confident | 137 Ų | 137 | 104.1 Ų | 104.1 | 64% | 0.64 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.4 | -35.4 | 173.6 | -170.3 | -177.8 | -144.2 | 0 | 0 | 111.8 | E181 L183 Q189 | E181-E185 PolarHBondContact O-N 2.93Å; L183-E185 VanDerWaalsContact C-N 3.34Å; L183-E185 PolarHBondContact O-N 2.99Å; E185-Q189 VanDerWaalsContact O-CB 3.31Å; E185-Q189 WeakPolarHBondContact O-CB 3.35Å; E185-Q189 PolarHBondContact O-N 3.01Å |
| 186 | K | 86.9 | Confident | 81.1 | Confident | 120 Ų | 120 | 102 Ų | 102 | 52% | 0.522 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.8 | -37.5 | 175.8 | -68.4 | -72.1 | 155 | -162.1 | 0 | 112.5 | G182 L183 A184 Q189 L190 | G182-K186 WeakPolarHBondContact O-CG 3.44Å; L183-K186 CarbonylContact O-C 3.58Å; L183-K186 WeakPolarHBondContact O-CA 3.2Å; L183-K186 WeakPolarHBondContact O-CB 3.4Å; L183-K186 PolarHBondContact O-N 3.3Å; A184-K186 VanDerWaalsContact C-N 3.29Å; A184-K186 PolarHBondContact O-N 3.37Å; K186-Q189 PolarHBondContact O-N 2.89Å; K186-L190 VanDerWaalsContact O-CB 3.29Å; K186-L190 WeakPolarHBondContact O-CB 3.37Å; K186-L190 PolarHBondContact O-N 2.96Å |
| 187 | E | 88.3 | Confident | 83.1 | Confident | 115 Ų | 115 | 102.9 Ų | 102.9 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.7 | -39.7 | 172.3 | -68.7 | -179 | 145.2 | 0 | 0 | 111.6 | L183 A184 S191 | L183-E187 PolarHBondContact O-N 3.46Å; A184-E187 PolarHBondContact O-N 3.42Å; E187-S191 WeakPolarHBondContact O-CB 3.16Å; E187-S191 PolarHBondContact O-N 3.37Å; E187-S191 PolarHBondContact O-OG 2.88Å |
| 188 | H | 92.2 | Very high | 84.9 | Confident | 134 Ų | 134 | 96.8 Ų | 96.8 | 62% | 0.62 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.6 | -48.5 | 173.3 | -170.3 | 80.2 | 0 | 0 | 0 | 111.6 | A184 L190 S191 T192 | A184-H188 WeakPolarHBondContact O-CB 3.5Å; A184-H188 PolarHBondContact O-N 3.12Å; H188-L190 VanDerWaalsContact C-N 3.33Å; H188-L190 PolarHBondContact O-N 3.27Å; H188-S191 WeakPolarHBondContact O-CB 3.22Å; H188-S191 PolarHBondContact O-N 2.89Å; H188-S191 VanDerWaalsContact O-N 3.1Å; H188-T192 PolarHBondContact O-N 3.3Å; H188-T192 PolarHBondContact O-OG1 3.42Å |
| 189 | Q | 95 | Very high | 86.6 | Confident | 98 Ų | 98 | 97 Ų | 97 | 46% | 0.458 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 176.4 | -178.6 | 166.8 | 54 | 0 | 0 | 112.3 | E185 K186 T192 M193 | E185-Q189 VanDerWaalsContact O-CB 3.31Å; E185-Q189 WeakPolarHBondContact O-CB 3.35Å; E185-Q189 PolarHBondContact O-N 3.01Å; K186-Q189 PolarHBondContact O-N 2.89Å; Q189-T192 PolarHBondContact O-N 3.39Å; Q189-M193 WeakPolarHBondContact O-CG 3.43Å; Q189-M193 PolarHBondContact O-N 2.97Å |
| 190 | L | 95.1 | Very high | 88.5 | Confident | 105 Ų | 105 | 96.2 Ų | 96.2 | 55% | 0.55 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 173.8 | -170.2 | 91.2 | 0 | 0 | 0 | 111.2 | K186 H188 T192 M193 I194 | K186-L190 VanDerWaalsContact O-CB 3.29Å; K186-L190 WeakPolarHBondContact O-CB 3.37Å; K186-L190 PolarHBondContact O-N 2.96Å; H188-L190 VanDerWaalsContact C-N 3.33Å; H188-L190 PolarHBondContact O-N 3.27Å; L190-T192 VanDerWaalsContact C-N 3.35Å; L190-T192 PolarHBondContact O-N 2.93Å; L190-M193 PolarHBondContact O-N 3.48Å; L190-I194 HydrophobicContact CD2-CD1 3.91Å; L190-I194 HydrophobicContact CG-CD1 3.91Å; L190-I194 VanDerWaalsContact O-CG1 3.3Å; L190-I194 WeakPolarHBondContact O-CG1 3.48Å; L190-I194 PolarHBondContact O-N 3.01Å |
| 191 | S | 91.5 | Very high | 90.1 | Very high | 62 Ų | 62 | 98.5 Ų | 98.5 | 43% | 0.434 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 179.2 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | E187 H188 I194 T195 | E187-S191 WeakPolarHBondContact O-CB 3.16Å; E187-S191 PolarHBondContact O-N 3.37Å; E187-S191 PolarHBondContact O-OG 2.88Å; H188-S191 WeakPolarHBondContact O-CB 3.22Å; H188-S191 PolarHBondContact O-N 2.89Å; H188-S191 VanDerWaalsContact O-N 3.1Å; S191-I194 PolarHBondContact O-N 3.29Å; S191-T195 WeakPolarHBondContact O-CB 3.5Å; S191-T195 PolarHBondContact O-N 2.88Å; S191-T195 PolarHBondContact O-OG1 2.95Å |
| 192 | T | 94.6 | Very high | 91.8 | Very high | 60 Ų | 60 | 95.9 Ų | 95.9 | 37% | 0.368 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 172 | -49.2 | 0 | 0 | 0 | 0 | 111.3 | H188 Q189 L190 I194 T195 Q196 | H188-T192 PolarHBondContact O-N 3.3Å; H188-T192 PolarHBondContact O-OG1 3.42Å; Q189-T192 PolarHBondContact O-N 3.39Å; L190-T192 VanDerWaalsContact C-N 3.35Å; L190-T192 PolarHBondContact O-N 2.93Å; T192-I194 PolarHBondContact O-N 3.23Å; T192-T195 PolarHBondContact O-N 3.39Å; T192-Q196 WeakPolarHBondContact O-CG 3.45Å; T192-Q196 PolarHBondContact O-N 3.27Å |
| 193 | M | 95.8 | Very high | 92.6 | Very high | 105 Ų | 105 | 101 Ų | 101 | 52% | 0.517 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 177.5 | -75 | -177.7 | 62.7 | 0 | 0 | 112.7 | Q189 L190 T195 Q196 L197 | Q189-M193 WeakPolarHBondContact O-CG 3.43Å; Q189-M193 PolarHBondContact O-N 2.97Å; L190-M193 PolarHBondContact O-N 3.48Å; M193-T195 VanDerWaalsContact C-N 3.33Å; M193-T195 PolarHBondContact O-N 3.25Å; M193-Q196 PolarHBondContact O-N 3.03Å; M193-L197 WeakPolarHBondContact O-CB 3.33Å; M193-L197 VanDerWaalsContact O-CG 3.27Å; M193-L197 WeakPolarHBondContact O-CG 3.4Å; M193-L197 PolarHBondContact O-N 3.4Å |
| 194 | I | 94.4 | Very high | 93.3 | Very high | 81 Ų | 81 | 102.2 Ų | 102.2 | 42% | 0.415 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 174.9 | -72.1 | 164.9 | 0 | 0 | 0 | 110 | L190 S191 T192 Q196 L197 I198 | L190-I194 HydrophobicContact CD2-CD1 3.91Å; L190-I194 HydrophobicContact CG-CD1 3.91Å; L190-I194 VanDerWaalsContact O-CG1 3.3Å; L190-I194 WeakPolarHBondContact O-CG1 3.48Å; L190-I194 PolarHBondContact O-N 3.01Å; S191-I194 PolarHBondContact O-N 3.29Å; T192-I194 PolarHBondContact O-N 3.23Å; I194-Q196 PolarHBondContact O-N 2.95Å; I194-L197 PolarHBondContact O-N 3.49Å; I194-I198 HydrophobicContact CG2-CD1 3.82Å; I194-I198 VanDerWaalsContact O-CG1 3.32Å; I194-I198 WeakPolarHBondContact O-CG1 3.48Å; I194-I198 PolarHBondContact O-N 3.37Å |
| 195 | T | 95.2 | Very high | 93.9 | Very high | 86 Ų | 86 | 103.7 Ų | 103.7 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 178.3 | -54 | 0 | 0 | 0 | 0 | 111.4 | S191 T192 M193 L197 I198 S199 | S191-T195 WeakPolarHBondContact O-CB 3.5Å; S191-T195 PolarHBondContact O-N 2.88Å; S191-T195 PolarHBondContact O-OG1 2.95Å; T192-T195 PolarHBondContact O-N 3.39Å; M193-T195 VanDerWaalsContact C-N 3.33Å; M193-T195 PolarHBondContact O-N 3.25Å; T195-L197 VanDerWaalsContact C-N 3.35Å; T195-L197 PolarHBondContact O-N 2.83Å; T195-I198 PolarHBondContact O-N 3.41Å; T195-S199 PolarHBondContact O-N 3.28Å; T195-S199 PolarHBondContact O-OG 3.42Å |
| 196 | Q | 96.8 | Very high | 94.4 | Very high | 125 Ų | 125 | 99.9 Ų | 99.9 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -40.1 | 176.2 | -72.2 | 173.7 | -12.1 | 0 | 0 | 112.7 | T192 M193 I194 S199 L200 | T192-Q196 WeakPolarHBondContact O-CG 3.45Å; T192-Q196 PolarHBondContact O-N 3.27Å; M193-Q196 PolarHBondContact O-N 3.03Å; I194-Q196 PolarHBondContact O-N 2.95Å; Q196-S199 PolarHBondContact O-N 3.06Å; Q196-L200 WeakPolarHBondContact O-CB 3.31Å; Q196-L200 PolarHBondContact O-N 3.43Å |
| 197 | L | 96.6 | Very high | 94.7 | Very high | 110 Ų | 110 | 97 Ų | 97 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.9 | -33.8 | 176.9 | -72.4 | 168.8 | 0 | 0 | 0 | 112.5 | M193 I194 T195 R201 | M193-L197 WeakPolarHBondContact O-CB 3.33Å; M193-L197 VanDerWaalsContact O-CG 3.27Å; M193-L197 WeakPolarHBondContact O-CG 3.4Å; M193-L197 PolarHBondContact O-N 3.4Å; I194-L197 PolarHBondContact O-N 3.49Å; T195-L197 VanDerWaalsContact C-N 3.35Å; T195-L197 PolarHBondContact O-N 2.83Å; L197-R201 VanDerWaalsContact O-CB 3.3Å; L197-R201 WeakPolarHBondContact O-CB 3.41Å; L197-R201 PolarHBondContact O-N 3.21Å |
| 198 | I | 93.4 | Very high | 95 | Very high | 82 Ų | 82 | 96.4 Ų | 96.4 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -51.4 | 172.3 | -69.6 | 164.5 | 0 | 0 | 0 | 109.9 | I194 T195 L200 R201 E202 | I194-I198 HydrophobicContact CG2-CD1 3.82Å; I194-I198 VanDerWaalsContact O-CG1 3.32Å; I194-I198 WeakPolarHBondContact O-CG1 3.48Å; I194-I198 PolarHBondContact O-N 3.37Å; T195-I198 PolarHBondContact O-N 3.41Å; I198-L200 VanDerWaalsContact C-N 3.32Å; I198-L200 PolarHBondContact O-N 2.67Å; I198-R201 WeakPolarHBondContact O-CB 3.15Å; I198-R201 PolarHBondContact O-N 3.19Å; I198-R201 VanDerWaalsContact O-N 3.11Å; I198-E202 HydrophobicContact CG2-CG 4.49Å; I198-E202 WeakPolarHBondContact O-CG 3.49Å; I198-E202 PolarHBondContact O-N 2.97Å |
| 199 | S | 96 | Very high | 95 | Very high | 62 Ų | 62 | 94.5 Ų | 94.5 | 43% | 0.434 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 178.9 | -55.7 | 0 | 0 | 0 | 0 | 112.7 | T195 Q196 E202 Q203 | T195-S199 PolarHBondContact O-N 3.28Å; T195-S199 PolarHBondContact O-OG 3.42Å; Q196-S199 PolarHBondContact O-N 3.06Å; S199-E202 PolarHBondContact O-N 3.47Å; S199-Q203 WeakPolarHBondContact O-CB 3.32Å; S199-Q203 PolarHBondContact O-N 2.87Å |
| 200 | L | 97.4 | Very high | 95 | Very high | 88 Ų | 88 | 95 Ų | 95 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 175.1 | -178.9 | 61.4 | 0 | 0 | 0 | 112 | Q196 I198 Q203 L204 | Q196-L200 WeakPolarHBondContact O-CB 3.31Å; Q196-L200 PolarHBondContact O-N 3.43Å; I198-L200 VanDerWaalsContact C-N 3.32Å; I198-L200 PolarHBondContact O-N 2.67Å; L200-Q203 PolarHBondContact O-N 2.95Å; L200-L204 HydrophobicContact CD1-CD1 4.45Å; L200-L204 HydrophobicContact CG-CD1 4.24Å; L200-L204 WeakPolarHBondContact O-CB 3.25Å; L200-L204 VanDerWaalsContact O-CG 3.31Å; L200-L204 WeakPolarHBondContact O-CG 3.23Å; L200-L204 PolarHBondContact O-N 3.25Å |
| 201 | R | 96.7 | Very high | 95 | Very high | 157 Ų | 157 | 96.4 Ų | 96.4 | 59% | 0.592 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.2 | -43.6 | 174.9 | 177.3 | -177.6 | 175.3 | -82.2 | -0.8 | 111.5 | L197 I198 L204 L205 | L197-R201 VanDerWaalsContact O-CB 3.3Å; L197-R201 WeakPolarHBondContact O-CB 3.41Å; L197-R201 PolarHBondContact O-N 3.21Å; I198-R201 WeakPolarHBondContact O-CB 3.15Å; I198-R201 PolarHBondContact O-N 3.19Å; I198-R201 VanDerWaalsContact O-N 3.11Å; R201-L204 PolarHBondContact O-N 3.13Å; R201-L205 HydrophobicContact CG-CD1 4.13Å; R201-L205 VanDerWaalsContact O-CG 3.3Å; R201-L205 WeakPolarHBondContact O-CG 3.45Å; R201-L205 PolarHBondContact O-N 2.94Å |
| 202 | E | 94.7 | Very high | 95 | Very high | 112 Ų | 112 | 97.6 Ų | 97.6 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 178.2 | -71.1 | 175.9 | 160.8 | 0 | 0 | 111.9 | I198 S199 L204 L205 A206 | I198-E202 HydrophobicContact CG2-CG 4.49Å; I198-E202 WeakPolarHBondContact O-CG 3.49Å; I198-E202 PolarHBondContact O-N 2.97Å; S199-E202 PolarHBondContact O-N 3.47Å; E202-L204 PolarHBondContact O-N 2.94Å; E202-L205 PolarHBondContact O-N 2.89Å; E202-A206 WeakPolarHBondContact O-CB 3.29Å; E202-A206 PolarHBondContact O-N 3.03Å |
| 203 | Q | 96.6 | Very high | 95 | Very high | 139 Ų | 139 | 101.1 Ų | 101.1 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.6 | -40.7 | 174.8 | -170 | 176.9 | 13.5 | 0 | 0 | 112.4 | S199 L200 A206 A207 | S199-Q203 WeakPolarHBondContact O-CB 3.32Å; S199-Q203 PolarHBondContact O-N 2.87Å; L200-Q203 PolarHBondContact O-N 2.95Å; Q203-A206 PolarHBondContact O-N 3.09Å; Q203-A207 WeakPolarHBondContact O-CB 3.48Å; Q203-A207 PolarHBondContact O-N 2.97Å |
| 204 | L | 96 | Very high | 95 | Very high | 116 Ų | 116 | 101.6 Ų | 101.6 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.8 | -39.3 | 175.6 | -73.6 | 169.2 | 0 | 0 | 0 | 112.4 | L200 R201 E202 H208 | L200-L204 HydrophobicContact CD1-CD1 4.45Å; L200-L204 HydrophobicContact CG-CD1 4.24Å; L200-L204 WeakPolarHBondContact O-CB 3.25Å; L200-L204 VanDerWaalsContact O-CG 3.31Å; L200-L204 WeakPolarHBondContact O-CG 3.23Å; L200-L204 PolarHBondContact O-N 3.25Å; R201-L204 PolarHBondContact O-N 3.13Å; E202-L204 PolarHBondContact O-N 2.94Å; L204-H208 PolarHBondContact O-N 3.46Å; L204-H208 VanDerWaalsContact O-N 3.08Å |
| 205 | L | 93.6 | Very high | 94.9 | Very high | 84 Ų | 84 | 100.2 Ų | 100.2 | 44% | 0.44 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 174.5 | -73 | 168.4 | 0 | 0 | 0 | 111.4 | R201 E202 A207 H208 D209 | R201-L205 HydrophobicContact CG-CD1 4.13Å; R201-L205 VanDerWaalsContact O-CG 3.3Å; R201-L205 WeakPolarHBondContact O-CG 3.45Å; R201-L205 PolarHBondContact O-N 2.94Å; E202-L205 PolarHBondContact O-N 2.89Å; L205-A207 PolarHBondContact O-N 3.33Å; L205-H208 PolarHBondContact O-N 2.95Å; L205-D209 PolarHBondContact O-N 3.4Å |
| 206 | A | 95.1 | Very high | 94.8 | Very high | 56 Ų | 56 | 99 Ų | 99 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E202 Q203 H208 D209 E210 | E202-A206 WeakPolarHBondContact O-CB 3.29Å; E202-A206 PolarHBondContact O-N 3.03Å; Q203-A206 PolarHBondContact O-N 3.09Å; A206-H208 VanDerWaalsContact C-N 3.34Å; A206-H208 PolarHBondContact O-N 3.35Å; A206-D209 PolarHBondContact O-N 3.4Å; A206-E210 WeakPolarHBondContact O-CG 3.37Å; A206-E210 PolarHBondContact O-N 3.39Å |
| 207 | A | 94.4 | Very high | 94.7 | Very high | 59 Ų | 59 | 96.8 Ų | 96.8 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -38 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q203 L205 Q211 | Q203-A207 WeakPolarHBondContact O-CB 3.48Å; Q203-A207 PolarHBondContact O-N 2.97Å; L205-A207 PolarHBondContact O-N 3.33Å; A207-Q211 PolarHBondContact O-N 3.46Å |
| 208 | H | 93.6 | Very high | 94.6 | Very high | 103 Ų | 103 | 98.4 Ų | 98.4 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 175.6 | -175 | -95.5 | 0 | 0 | 0 | 112.3 | L204 L205 A206 Q211 K212 | L204-H208 PolarHBondContact O-N 3.46Å; L204-H208 VanDerWaalsContact O-N 3.08Å; L205-H208 PolarHBondContact O-N 2.95Å; A206-H208 VanDerWaalsContact C-N 3.34Å; A206-H208 PolarHBondContact O-N 3.35Å; H208-Q211 WeakPolarHBondContact O-CB 3.33Å; H208-Q211 PolarHBondContact O-N 2.94Å; H208-K212 WeakPolarHBondContact O-CB 3.45Å; H208-K212 PolarHBondContact O-N 3.37Å |
| 209 | D | 93.1 | Very high | 94.5 | Very high | 94 Ų | 94 | 100.1 Ų | 100.1 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.3 | -34.9 | 175 | -87 | -22.9 | 0 | 0 | 0 | 112.6 | L205 A206 K212 K213 | L205-D209 PolarHBondContact O-N 3.4Å; A206-D209 PolarHBondContact O-N 3.4Å; D209-K212 PolarHBondContact O-N 3.44Å; D209-K213 WeakPolarHBondContact O-CB 3.5Å; D209-K213 PolarHBondContact O-N 3.01Å |
| 210 | E | 95.6 | Very high | 94.4 | Very high | 108 Ų | 108 | 100.3 Ų | 100.3 | 51% | 0.505 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 169.6 | -76.3 | -103.2 | 104.4 | 0 | 0 | 111.7 | A206 K212 K213 L214 | A206-E210 WeakPolarHBondContact O-CG 3.37Å; A206-E210 PolarHBondContact O-N 3.39Å; E210-K212 VanDerWaalsContact C-N 3.35Å; E210-K212 PolarHBondContact O-N 3.01Å; E210-K213 WeakPolarHBondContact O-CB 3.4Å; E210-K213 PolarHBondContact O-N 2.96Å; E210-K213 IonicContact OE1-NZ 3.52Å; E210-K213 PolarHBondContact OE1-NZ 3Å; E210-L214 WeakPolarHBondContact O-CG 3.32Å; E210-L214 PolarHBondContact O-N 2.74Å |
| 211 | Q | 93.3 | Very high | 94.4 | Very high | 136 Ų | 136 | 103.5 Ų | 103.5 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.7 | -43 | 175.4 | -173.5 | 179.2 | 4.5 | 0 | 0 | 111.8 | A207 H208 L214 A215 | A207-Q211 PolarHBondContact O-N 3.46Å; H208-Q211 WeakPolarHBondContact O-CB 3.33Å; H208-Q211 PolarHBondContact O-N 2.94Å; Q211-L214 PolarHBondContact O-N 3.21Å; Q211-A215 PolarHBondContact O-N 3.05Å |
| 212 | K | 92.2 | Very high | 94.3 | Very high | 86 Ų | 86 | 101.2 Ų | 101.2 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.6 | -179.2 | 179.3 | 178 | 175.5 | 0 | 112.4 | E145 H208 D209 E210 A215 A216 | E145-K212 WeakPolarHBondContact OE1-CE 3.5Å; E145-K212 IonicContact OE1-NZ 3.22Å; E145-K212 PolarHBondContact OE1-NZ 2.95Å; E145-K212 WeakPolarHBondContact OE2-CE 3.42Å; E145-K212 IonicContact OE2-NZ 2.9Å; E145-K212 PolarHBondContact OE2-NZ 3.36Å; H208-K212 WeakPolarHBondContact O-CB 3.45Å; H208-K212 PolarHBondContact O-N 3.37Å; D209-K212 PolarHBondContact O-N 3.44Å; E210-K212 VanDerWaalsContact C-N 3.35Å; E210-K212 PolarHBondContact O-N 3.01Å; K212-A215 PolarHBondContact O-N 3.47Å; K212-A216 WeakPolarHBondContact O-CB 3.49Å; K212-A216 PolarHBondContact O-N 2.89Å |
| 213 | K | 94.4 | Very high | 94.3 | Very high | 135 Ų | 135 | 103.5 Ų | 103.5 | 59% | 0.587 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65 | -38.6 | 175.3 | 177 | -179.1 | 164.8 | -157.9 | 0 | 112.1 | D209 E210 S217 | D209-K213 WeakPolarHBondContact O-CB 3.5Å; D209-K213 PolarHBondContact O-N 3.01Å; E210-K213 WeakPolarHBondContact O-CB 3.4Å; E210-K213 PolarHBondContact O-N 2.96Å; E210-K213 IonicContact OE1-NZ 3.52Å; E210-K213 PolarHBondContact OE1-NZ 3Å; K213-S217 WeakPolarHBondContact O-CB 3.4Å; K213-S217 PolarHBondContact O-N 2.87Å |
| 214 | L | 95.3 | Very high | 94.3 | Very high | 114 Ų | 114 | 102.2 Ų | 102.2 | 60% | 0.597 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -44.9 | 171.8 | -71.4 | 170.2 | 0 | 0 | 0 | 111.8 | E210 Q211 S217 Q218 | E210-L214 WeakPolarHBondContact O-CG 3.32Å; E210-L214 PolarHBondContact O-N 2.74Å; Q211-L214 PolarHBondContact O-N 3.21Å; L214-S217 WeakPolarHBondContact O-CB 3.47Å; L214-S217 PolarHBondContact O-N 3.49Å; L214-Q218 WeakPolarHBondContact O-CG 3.38Å; L214-Q218 PolarHBondContact O-N 3.32Å |
| 215 | A | 92.9 | Very high | 94.3 | Very high | 52 Ų | 52 | 103.6 Ų | 103.6 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q211 K212 S217 Q218 M219 | Q211-A215 PolarHBondContact O-N 3.05Å; K212-A215 PolarHBondContact O-N 3.47Å; A215-S217 VanDerWaalsContact C-N 3.33Å; A215-S217 PolarHBondContact O-N 3.18Å; A215-Q218 PolarHBondContact O-N 2.69Å; A215-M219 WeakPolarHBondContact O-CG 3.25Å; A215-M219 PolarHBondContact O-N 3.43Å |
| 216 | A | 92.3 | Very high | 94.3 | Very high | 61 Ų | 61 | 105.9 Ų | 105.9 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K212 M219 E220 | K212-A216 WeakPolarHBondContact O-CB 3.49Å; K212-A216 PolarHBondContact O-N 2.89Å; A216-M219 PolarHBondContact O-N 2.86Å; A216-E220 WeakPolarHBondContact O-CB 3.5Å; A216-E220 PolarHBondContact O-N 2.85Å |
| 217 | S | 96.2 | Very high | 94.3 | Very high | 78 Ų | 78 | 106.7 Ų | 106.7 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 175.1 | -174.8 | 0 | 0 | 0 | 0 | 112.6 | K213 L214 A215 E220 K221 | K213-S217 WeakPolarHBondContact O-CB 3.4Å; K213-S217 PolarHBondContact O-N 2.87Å; L214-S217 WeakPolarHBondContact O-CB 3.47Å; L214-S217 PolarHBondContact O-N 3.49Å; A215-S217 VanDerWaalsContact C-N 3.33Å; A215-S217 PolarHBondContact O-N 3.18Å; S217-E220 PolarHBondContact O-N 3.25Å; S217-K221 WeakPolarHBondContact O-CB 3.45Å; S217-K221 PolarHBondContact O-N 3.08Å |
| 218 | Q | 93.1 | Very high | 94.5 | Very high | 144 Ų | 144 | 109.6 Ų | 109.6 | 67% | 0.673 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 174 | -67.7 | -178.3 | 22.4 | 0 | 0 | 112 | L214 A215 E220 K221 Q222 | L214-Q218 WeakPolarHBondContact O-CG 3.38Å; L214-Q218 PolarHBondContact O-N 3.32Å; A215-Q218 PolarHBondContact O-N 2.69Å; Q218-E220 VanDerWaalsContact C-N 3.35Å; Q218-E220 PolarHBondContact O-N 2.85Å; Q218-K221 PolarHBondContact O-N 3.26Å; Q218-Q222 PolarHBondContact O-N 3.29Å |
| 219 | M | 91.6 | Very high | 94.6 | Very high | 119 Ų | 119 | 107.2 Ų | 107.2 | 59% | 0.586 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.5 | -39.7 | 176.9 | -70.4 | -64.5 | -68.5 | 0 | 0 | 112.2 | A215 A216 Q222 R223 | A215-M219 WeakPolarHBondContact O-CG 3.25Å; A215-M219 PolarHBondContact O-N 3.43Å; A216-M219 PolarHBondContact O-N 2.86Å; M219-Q222 PolarHBondContact O-N 3.42Å; M219-R223 PolarHBondContact O-N 3.28Å |
| 220 | E | 94.8 | Very high | 94.8 | Very high | 65 Ų | 65 | 108.3 Ų | 108.3 | 30% | 0.304 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 175.9 | 177.6 | 53.4 | -154.7 | 0 | 0 | 111.9 | A216 S217 Q218 Q222 R223 Q224 | A216-E220 WeakPolarHBondContact O-CB 3.5Å; A216-E220 PolarHBondContact O-N 2.85Å; S217-E220 PolarHBondContact O-N 3.25Å; Q218-E220 VanDerWaalsContact C-N 3.35Å; Q218-E220 PolarHBondContact O-N 2.85Å; E220-Q222 VanDerWaalsContact C-N 3.31Å; E220-Q222 PolarHBondContact O-N 2.98Å; E220-R223 VanDerWaalsContact CD-NH2 3.27Å; E220-R223 WeakPolarHBondContact O-CB 3.38Å; E220-R223 PolarHBondContact O-N 3.01Å; E220-R223 VanDerWaalsContact O-N 3.13Å; E220-R223 IonicContact OE1-CZ 2.68Å; E220-R223 IonicContact OE1-NE 3.34Å; E220-R223 IonicContact OE1-NH2 3.74Å; E220-R223 PolarHBondContact OE1-NH2 3.39Å; E220-R223 IonicContact OE2-CZ 3.49Å; E220-R223 VanDerWaalsContact OE2-CZ 3.24Å; E220-R223 IonicContact OE2-NE 2.69Å; E220-R223 PolarHBondContact OE2-NE 3.34Å; E220-R223 IonicContact OE2-NH2 3.61Å; E220-R223 PolarHBondContact OE2-NH2 2.99Å; E220-Q224 WeakPolarHBondContact O-CG 3.44Å; E220-Q224 PolarHBondContact O-N 3.21Å; E220-Q224 PolarHBondContact OE1-NE2 3.47Å |
| 221 | K | 96.4 | Very high | 94.9 | Very high | 156 Ų | 156 | 107.7 Ų | 107.7 | 68% | 0.678 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.6 | -40.2 | 173.1 | -173.3 | 177.1 | -179.6 | 179.2 | 0 | 111.9 | S217 Q218 Q224 Q225 | S217-K221 WeakPolarHBondContact O-CB 3.45Å; S217-K221 PolarHBondContact O-N 3.08Å; Q218-K221 PolarHBondContact O-N 3.26Å; K221-Q224 PolarHBondContact O-N 2.98Å; K221-Q225 PolarHBondContact O-N 3.5Å; K221-Q225 VanDerWaalsContact O-N 3.07Å |
| 222 | Q | 95.1 | Very high | 95 | Very high | 109 Ų | 109 | 107.5 Ų | 107.5 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 173.8 | -166.1 | -175 | 25.8 | 0 | 0 | 111.7 | Q218 M219 E220 Q225 M226 | Q218-Q222 PolarHBondContact O-N 3.29Å; M219-Q222 PolarHBondContact O-N 3.42Å; E220-Q222 VanDerWaalsContact C-N 3.31Å; E220-Q222 PolarHBondContact O-N 2.98Å; Q222-Q225 PolarHBondContact O-N 3.4Å; Q222-M226 PolarHBondContact O-N 3.4Å |
| 223 | R | 94.9 | Very high | 95.1 | Very high | 159 Ų | 159 | 109.1 Ų | 109.1 | 60% | 0.6 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.6 | -42.5 | 174.8 | -168 | -179.9 | 71.6 | 112 | 4.5 | 111.7 | M219 E220 M226 E227 | M219-R223 PolarHBondContact O-N 3.28Å; E220-R223 VanDerWaalsContact CD-NH2 3.27Å; E220-R223 WeakPolarHBondContact O-CB 3.38Å; E220-R223 PolarHBondContact O-N 3.01Å; E220-R223 VanDerWaalsContact O-N 3.13Å; E220-R223 IonicContact OE1-CZ 2.68Å; E220-R223 IonicContact OE1-NE 3.34Å; E220-R223 IonicContact OE1-NH2 3.74Å; E220-R223 PolarHBondContact OE1-NH2 3.39Å; E220-R223 IonicContact OE2-CZ 3.49Å; E220-R223 VanDerWaalsContact OE2-CZ 3.24Å; E220-R223 IonicContact OE2-NE 2.69Å; E220-R223 PolarHBondContact OE2-NE 3.34Å; E220-R223 IonicContact OE2-NH2 3.61Å; E220-R223 PolarHBondContact OE2-NH2 2.99Å; R223-M226 PolarHBondContact O-N 3.06Å; R223-E227 WeakPolarHBondContact O-CB 3.36Å; R223-E227 PolarHBondContact O-N 2.73Å |
| 224 | Q | 97.1 | Very high | 95.3 | Very high | 112 Ų | 112 | 106.1 Ų | 106.1 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 176.6 | -69.7 | 169.7 | 13.6 | 0 | 0 | 112.1 | E220 K221 M226 E227 L228 | E220-Q224 WeakPolarHBondContact O-CG 3.44Å; E220-Q224 PolarHBondContact O-N 3.21Å; E220-Q224 PolarHBondContact OE1-NE2 3.47Å; K221-Q224 PolarHBondContact O-N 2.98Å; Q224-M226 PolarHBondContact O-N 3.12Å; Q224-E227 PolarHBondContact O-N 3.23Å; Q224-L228 PolarHBondContact O-N 2.98Å |
| 225 | Q | 95.5 | Very high | 95.3 | Very high | 145 Ų | 145 | 106.1 Ų | 106.1 | 68% | 0.678 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.9 | -40.7 | 174.8 | -171.2 | 179 | 7.3 | 0 | 0 | 112.1 | K221 Q222 L228 A229 | K221-Q225 PolarHBondContact O-N 3.5Å; K221-Q225 VanDerWaalsContact O-N 3.07Å; Q222-Q225 PolarHBondContact O-N 3.4Å; Q225-L228 PolarHBondContact O-N 3Å; Q225-A229 PolarHBondContact O-N 3.11Å; Q225-A229 VanDerWaalsContact O-N 3.14Å |
| 226 | M | 92.8 | Very high | 95.5 | Very high | 133 Ų | 133 | 107 Ų | 107 | 66% | 0.655 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.1 | -39.6 | 175.5 | -172.4 | -175.6 | -64.2 | 0 | 0 | 112.2 | Q222 R223 Q224 A229 R230 | Q222-M226 PolarHBondContact O-N 3.4Å; R223-M226 PolarHBondContact O-N 3.06Å; Q224-M226 PolarHBondContact O-N 3.12Å; M226-A229 PolarHBondContact O-N 3.14Å; M226-R230 PolarHBondContact O-N 2.69Å |
| 227 | E | 96.6 | Very high | 95.7 | Very high | 72 Ų | 72 | 106.3 Ų | 106.3 | 34% | 0.336 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.9 | -38.4 | 177.6 | 178.4 | 53.6 | -151.8 | 0 | 0 | 112.1 | R223 Q224 A229 R230 Q231 | R223-E227 WeakPolarHBondContact O-CB 3.36Å; R223-E227 PolarHBondContact O-N 2.73Å; Q224-E227 PolarHBondContact O-N 3.23Å; E227-A229 PolarHBondContact O-N 3.02Å; E227-R230 VanDerWaalsContact CD-NE 3.34Å; E227-R230 WeakPolarHBondContact O-CB 3.4Å; E227-R230 PolarHBondContact O-N 3.42Å; E227-R230 IonicContact OE1-CZ 3.17Å; E227-R230 IonicContact OE1-NE 2.73Å; E227-R230 PolarHBondContact OE1-NE 3.43Å; E227-R230 VanDerWaalsContact OE1-NE 3.17Å; E227-R230 IonicContact OE1-NH2 3.74Å; E227-R230 PolarHBondContact OE1-NH2 3.34Å; E227-R230 WeakPolarHBondContact OE2-CD 3.38Å; E227-R230 IonicContact OE2-CZ 2.79Å; E227-R230 IonicContact OE2-NE 2.69Å; E227-R230 PolarHBondContact OE2-NE 2.91Å; E227-R230 IonicContact OE2-NH2 3.67Å; E227-Q231 WeakPolarHBondContact O-CG 3.22Å; E227-Q231 PolarHBondContact O-N 3.48Å; E227-Q231 PolarHBondContact OE1-NE2 2.91Å |
| 228 | L | 97.3 | Very high | 95.7 | Very high | 120 Ų | 120 | 108.6 Ų | 108.6 | 63% | 0.628 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.5 | -44.6 | 172.4 | -179.1 | 62.8 | 0 | 0 | 0 | 111.6 | Q224 Q225 R230 Q231 Q232 | Q224-L228 PolarHBondContact O-N 2.98Å; Q225-L228 PolarHBondContact O-N 3Å; L228-R230 VanDerWaalsContact C-N 3.33Å; L228-R230 PolarHBondContact O-N 3.48Å; L228-Q231 PolarHBondContact O-N 3.06Å; L228-Q232 PolarHBondContact O-N 2.94Å |
| 229 | A | 95.7 | Very high | 95.9 | Very high | 53 Ų | 53 | 108.4 Ų | 108.4 | 44% | 0.438 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q225 M226 E227 Q232 Q233 | Q225-A229 PolarHBondContact O-N 3.11Å; Q225-A229 VanDerWaalsContact O-N 3.14Å; M226-A229 PolarHBondContact O-N 3.14Å; E227-A229 PolarHBondContact O-N 3.02Å; A229-Q232 PolarHBondContact O-N 3.44Å; A229-Q233 WeakPolarHBondContact O-CB 3.1Å; A229-Q233 PolarHBondContact O-N 3.31Å |
| 230 | R | 97.3 | Very high | 96 | Very high | 117 Ų | 117 | 108.7 Ų | 108.7 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 174.3 | -165.8 | -161.1 | 67.5 | 69.3 | 3.2 | 111.7 | M226 E227 L228 Q233 E234 | M226-R230 PolarHBondContact O-N 2.69Å; E227-R230 VanDerWaalsContact CD-NE 3.34Å; E227-R230 WeakPolarHBondContact O-CB 3.4Å; E227-R230 PolarHBondContact O-N 3.42Å; E227-R230 IonicContact OE1-CZ 3.17Å; E227-R230 IonicContact OE1-NE 2.73Å; E227-R230 PolarHBondContact OE1-NE 3.43Å; E227-R230 VanDerWaalsContact OE1-NE 3.17Å; E227-R230 IonicContact OE1-NH2 3.74Å; E227-R230 PolarHBondContact OE1-NH2 3.34Å; E227-R230 WeakPolarHBondContact OE2-CD 3.38Å; E227-R230 IonicContact OE2-CZ 2.79Å; E227-R230 IonicContact OE2-NE 2.69Å; E227-R230 PolarHBondContact OE2-NE 2.91Å; E227-R230 IonicContact OE2-NH2 3.67Å; L228-R230 VanDerWaalsContact C-N 3.33Å; L228-R230 PolarHBondContact O-N 3.48Å; R230-Q233 PolarHBondContact O-N 3.14Å; R230-E234 IonicContact CZ-OE2 3.37Å; R230-E234 IonicContact NH1-OE2 3.16Å; R230-E234 PolarHBondContact NH1-OE2 2.73Å; R230-E234 IonicContact NH2-OE2 2.66Å; R230-E234 PolarHBondContact O-N 3.13Å |
| 231 | Q | 97.4 | Very high | 96.1 | Very high | 95 Ų | 95 | 112 Ų | 112 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 177.5 | -70.1 | 173.8 | 21.2 | 0 | 0 | 111.9 | E227 L228 Q233 E234 Q235 | E227-Q231 WeakPolarHBondContact O-CG 3.22Å; E227-Q231 PolarHBondContact O-N 3.48Å; E227-Q231 PolarHBondContact OE1-NE2 2.91Å; L228-Q231 PolarHBondContact O-N 3.06Å; Q231-Q233 PolarHBondContact O-N 3.2Å; Q231-E234 PolarHBondContact O-N 3.46Å; Q231-Q235 WeakPolarHBondContact O-CG 3.47Å; Q231-Q235 PolarHBondContact O-N 2.71Å |
| 232 | Q | 96.1 | Very high | 96 | Very high | 133 Ų | 133 | 110.4 Ų | 110.4 | 62% | 0.621 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.6 | -45.3 | 174.3 | -169.3 | 179.3 | 26.5 | 0 | 0 | 111.7 | L228 A229 E234 Q235 I236 | L228-Q232 PolarHBondContact O-N 2.94Å; A229-Q232 PolarHBondContact O-N 3.44Å; Q232-E234 VanDerWaalsContact C-N 3.29Å; Q232-E234 PolarHBondContact O-N 3.29Å; Q232-Q235 PolarHBondContact O-N 2.79Å; Q232-I236 HydrophobicContact CG-CD1 4.36Å; Q232-I236 WeakPolarHBondContact O-CG1 3.43Å; Q232-I236 PolarHBondContact O-N 3Å; Q232-I236 VanDerWaalsContact O-N 3.11Å |
| 233 | Q | 95.3 | Very high | 96.1 | Very high | 120 Ų | 120 | 111 Ų | 111 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.1 | -36 | 175.6 | -173.9 | 61.5 | 46.3 | 0 | 0 | 112.3 | A229 R230 Q231 I236 A237 | A229-Q233 WeakPolarHBondContact O-CB 3.1Å; A229-Q233 PolarHBondContact O-N 3.31Å; R230-Q233 PolarHBondContact O-N 3.14Å; Q231-Q233 PolarHBondContact O-N 3.2Å; Q233-I236 PolarHBondContact O-N 2.95Å; Q233-A237 WeakPolarHBondContact O-CB 3.2Å; Q233-A237 PolarHBondContact O-N 3.17Å |
| 234 | E | 97.2 | Very high | 96.1 | Very high | 71 Ų | 71 | 109.2 Ų | 109.2 | 33% | 0.332 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.7 | -38.7 | 177 | -160.6 | -176.3 | 141.3 | 0 | 0 | 112.2 | R230 Q231 Q232 A237 R238 | R230-E234 IonicContact CZ-OE2 3.37Å; R230-E234 IonicContact NH1-OE2 3.16Å; R230-E234 PolarHBondContact NH1-OE2 2.73Å; R230-E234 IonicContact NH2-OE2 2.66Å; R230-E234 PolarHBondContact O-N 3.13Å; Q231-E234 PolarHBondContact O-N 3.46Å; Q232-E234 VanDerWaalsContact C-N 3.29Å; Q232-E234 PolarHBondContact O-N 3.29Å; E234-A237 PolarHBondContact O-N 2.74Å; E234-R238 VanDerWaalsContact O-CG 3.29Å; E234-R238 WeakPolarHBondContact O-CG 3.28Å; E234-R238 PolarHBondContact O-N 2.98Å; E234-R238 IonicContact OE1-CZ 2.59Å; E234-R238 IonicContact OE1-NE 3.02Å; E234-R238 PolarHBondContact OE1-NE 2.86Å; E234-R238 IonicContact OE1-NH2 3.24Å; E234-R238 PolarHBondContact OE1-NH2 2.81Å |
| 235 | Q | 96.1 | Very high | 96 | Very high | 115 Ų | 115 | 110.8 Ų | 110.8 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 173.6 | -66.3 | -68.7 | 5.9 | 0 | 0 | 111.9 | Q231 Q232 R238 Q239 | Q231-Q235 WeakPolarHBondContact O-CG 3.47Å; Q231-Q235 PolarHBondContact O-N 2.71Å; Q232-Q235 PolarHBondContact O-N 2.79Å; Q235-R238 PolarHBondContact O-N 2.68Å; Q235-Q239 PolarHBondContact O-N 3.42Å; Q235-Q239 VanDerWaalsContact O-N 3.08Å |
| 236 | I | 96.3 | Very high | 96 | Very high | 70 Ų | 70 | 109.7 Ų | 109.7 | 36% | 0.359 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 175.5 | -66.1 | 165.6 | 0 | 0 | 0 | 110.6 | Q232 Q233 R238 Q239 Q240 | Q232-I236 HydrophobicContact CG-CD1 4.36Å; Q232-I236 WeakPolarHBondContact O-CG1 3.43Å; Q232-I236 PolarHBondContact O-N 3Å; Q232-I236 VanDerWaalsContact O-N 3.11Å; Q233-I236 PolarHBondContact O-N 2.95Å; I236-R238 VanDerWaalsContact C-N 3.33Å; I236-R238 PolarHBondContact O-N 3.4Å; I236-Q239 PolarHBondContact O-N 2.95Å; I236-Q240 WeakPolarHBondContact O-CG 3.47Å; I236-Q240 PolarHBondContact O-N 2.92Å |
| 237 | A | 96.9 | Very high | 96 | Very high | 46 Ų | 46 | 107.8 Ų | 107.8 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q233 E234 Q240 Q241 | Q233-A237 WeakPolarHBondContact O-CB 3.2Å; Q233-A237 PolarHBondContact O-N 3.17Å; E234-A237 PolarHBondContact O-N 2.74Å; A237-Q240 PolarHBondContact O-N 3.28Å; A237-Q241 WeakPolarHBondContact O-CB 3.21Å; A237-Q241 PolarHBondContact O-N 3.47Å |
| 238 | R | 97 | Very high | 95.8 | Very high | 127 Ų | 127 | 110.5 Ų | 110.5 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.1 | -70 | 168.9 | -175.5 | -152.4 | 3.9 | 112.1 | E234 Q235 I236 Q241 Q242 | E234-R238 VanDerWaalsContact O-CG 3.29Å; E234-R238 WeakPolarHBondContact O-CG 3.28Å; E234-R238 PolarHBondContact O-N 2.98Å; E234-R238 IonicContact OE1-CZ 2.59Å; E234-R238 IonicContact OE1-NE 3.02Å; E234-R238 PolarHBondContact OE1-NE 2.86Å; E234-R238 IonicContact OE1-NH2 3.24Å; E234-R238 PolarHBondContact OE1-NH2 2.81Å; Q235-R238 PolarHBondContact O-N 2.68Å; I236-R238 VanDerWaalsContact C-N 3.33Å; I236-R238 PolarHBondContact O-N 3.4Å; R238-Q241 PolarHBondContact O-N 3.4Å; R238-Q242 WeakPolarHBondContact O-CG 3.27Å; R238-Q242 PolarHBondContact O-N 3.14Å |
| 239 | Q | 95.9 | Very high | 95.7 | Very high | 140 Ų | 140 | 111.4 Ų | 111.4 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63 | -44.2 | 173.9 | -72.6 | -171 | 5.6 | 0 | 0 | 112 | Q235 I236 Q241 Q242 L243 | Q235-Q239 PolarHBondContact O-N 3.42Å; Q235-Q239 VanDerWaalsContact O-N 3.08Å; I236-Q239 PolarHBondContact O-N 2.95Å; Q239-Q241 VanDerWaalsContact C-N 3.31Å; Q239-Q241 PolarHBondContact O-N 3Å; Q239-Q242 PolarHBondContact O-N 3.27Å; Q239-L243 PolarHBondContact O-N 3.5Å |
| 240 | Q | 94.5 | Very high | 95.6 | Very high | 124 Ų | 124 | 112.9 Ų | 112.9 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.4 | -38.8 | 176.5 | -70.2 | 180 | 10.3 | 0 | 0 | 112 | I236 A237 L243 L244 | I236-Q240 WeakPolarHBondContact O-CG 3.47Å; I236-Q240 PolarHBondContact O-N 2.92Å; A237-Q240 PolarHBondContact O-N 3.28Å; Q240-L243 PolarHBondContact O-N 3.2Å; Q240-L244 WeakPolarHBondContact O-CB 3.42Å; Q240-L244 PolarHBondContact O-N 2.82Å |
| 241 | Q | 96 | Very high | 95.3 | Very high | 135 Ų | 135 | 111.3 Ų | 111.3 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.4 | -41.2 | 175 | -170.4 | -179.6 | 13.6 | 0 | 0 | 112.3 | A237 R238 Q239 L244 Q245 | A237-Q241 WeakPolarHBondContact O-CB 3.21Å; A237-Q241 PolarHBondContact O-N 3.47Å; R238-Q241 PolarHBondContact O-N 3.4Å; Q239-Q241 VanDerWaalsContact C-N 3.31Å; Q239-Q241 PolarHBondContact O-N 3Å; Q241-L244 PolarHBondContact O-N 3.49Å; Q241-Q245 WeakPolarHBondContact O-CB 3.34Å; Q241-Q245 PolarHBondContact O-N 2.74Å |
| 242 | Q | 95.4 | Very high | 95.1 | Very high | 123 Ų | 123 | 111.3 Ų | 111.3 | 58% | 0.575 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 174.9 | -73.4 | 178.7 | -13.8 | 0 | 0 | 112 | R238 Q239 Q245 Q246 | R238-Q242 WeakPolarHBondContact O-CG 3.27Å; R238-Q242 PolarHBondContact O-N 3.14Å; Q239-Q242 PolarHBondContact O-N 3.27Å; Q242-Q245 PolarHBondContact O-N 2.77Å; Q242-Q246 WeakPolarHBondContact O-CG 3.34Å; Q242-Q246 PolarHBondContact O-N 3.48Å |
| 243 | L | 95.9 | Very high | 94.8 | Very high | 120 Ų | 120 | 108.9 Ų | 108.9 | 63% | 0.628 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.2 | -44.4 | 176.1 | -177.3 | 63.4 | 0 | 0 | 0 | 111.5 | Q239 Q240 Q245 Q246 Q247 | Q239-L243 PolarHBondContact O-N 3.5Å; Q240-L243 PolarHBondContact O-N 3.2Å; L243-Q245 VanDerWaalsContact C-N 3.34Å; L243-Q245 PolarHBondContact O-N 2.87Å; L243-Q246 PolarHBondContact O-N 2.82Å; L243-Q247 PolarHBondContact O-N 3.18Å |
| 244 | L | 95.8 | Very high | 94.4 | Very high | 123 Ų | 123 | 108.2 Ų | 108.2 | 64% | 0.644 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.7 | -38.3 | 176.9 | -172.5 | 65.8 | 0 | 0 | 0 | 112.1 | Q240 Q241 Q247 H248 | Q240-L244 WeakPolarHBondContact O-CB 3.42Å; Q240-L244 PolarHBondContact O-N 2.82Å; Q241-L244 PolarHBondContact O-N 3.49Å; L244-Q247 PolarHBondContact O-N 2.86Å; L244-H248 PolarHBondContact O-N 3.07Å |
| 245 | Q | 95.4 | Very high | 93.8 | Very high | 144 Ų | 144 | 111.1 Ų | 111.1 | 67% | 0.673 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.5 | -40.3 | 174.9 | -174.9 | 176.1 | 84 | 0 | 0 | 112.1 | Q241 Q242 L243 H248 K249 | Q241-Q245 WeakPolarHBondContact O-CB 3.34Å; Q241-Q245 PolarHBondContact O-N 2.74Å; Q242-Q245 PolarHBondContact O-N 2.77Å; L243-Q245 VanDerWaalsContact C-N 3.34Å; L243-Q245 PolarHBondContact O-N 2.87Å; Q245-H248 PolarHBondContact O-N 3.48Å; Q245-K249 PolarHBondContact O-N 3.22Å |
| 246 | Q | 94.3 | Very high | 93.1 | Very high | 123 Ų | 123 | 111.6 Ų | 111.6 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.4 | -45.4 | 171.9 | -73.2 | -171.8 | 69.1 | 0 | 0 | 111.4 | Q242 L243 H248 K249 I250 | Q242-Q246 WeakPolarHBondContact O-CG 3.34Å; Q242-Q246 PolarHBondContact O-N 3.48Å; L243-Q246 PolarHBondContact O-N 2.82Å; Q246-H248 VanDerWaalsContact C-N 3.31Å; Q246-H248 PolarHBondContact O-N 3.34Å; Q246-K249 PolarHBondContact O-N 2.99Å; Q246-K249 VanDerWaalsContact O-N 3.12Å; Q246-I250 WeakPolarHBondContact O-CG1 3.47Å; Q246-I250 PolarHBondContact O-N 2.7Å |
| 247 | Q | 92.4 | Very high | 92.3 | Very high | 92 Ų | 92 | 113.8 Ų | 113.8 | 43% | 0.43 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.2 | -38.5 | 177.6 | -175.9 | 59.7 | 85 | 0 | 0 | 112.4 | L243 L244 I250 N251 | L243-Q247 PolarHBondContact O-N 3.18Å; L244-Q247 PolarHBondContact O-N 2.86Å; Q247-I250 PolarHBondContact O-N 3.07Å; Q247-N251 PolarHBondContact O-N 3.43Å; Q247-N251 PolarHBondContact O-ND2 2.99Å |
| 248 | H | 93.6 | Very high | 90.9 | Very high | 129 Ų | 129 | 118.1 Ų | 118.1 | 60% | 0.597 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.7 | -43.6 | 172.9 | -178.5 | 70.9 | 0 | 0 | 0 | 111.9 | L244 Q245 Q246 I250 N251 L252 | L244-H248 PolarHBondContact O-N 3.07Å; Q245-H248 PolarHBondContact O-N 3.48Å; Q246-H248 VanDerWaalsContact C-N 3.31Å; Q246-H248 PolarHBondContact O-N 3.34Å; H248-I250 VanDerWaalsContact C-N 3.34Å; H248-I250 PolarHBondContact O-N 3.18Å; H248-N251 PolarHBondContact O-N 3.18Å; H248-L252 PolarHBondContact O-N 2.92Å |
| 249 | K | 95.1 | Very high | 89.4 | Confident | 140 Ų | 140 | 117.4 Ų | 117.4 | 61% | 0.609 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.7 | -39.8 | 175.4 | -171.7 | 178.4 | 179.9 | -177.8 | 0 | 112.2 | Q245 Q246 L252 L253 | Q245-K249 PolarHBondContact O-N 3.22Å; Q246-K249 PolarHBondContact O-N 2.99Å; Q246-K249 VanDerWaalsContact O-N 3.12Å; K249-L252 PolarHBondContact O-N 3.27Å; K249-L253 HydrophobicContact CG-CD1 4.27Å; K249-L253 WeakPolarHBondContact O-CB 3.37Å; K249-L253 WeakPolarHBondContact O-CG 3.21Å; K249-L253 PolarHBondContact O-N 2.85Å |
| 250 | I | 92.5 | Very high | 87.4 | Confident | 83 Ų | 83 | 118.4 Ų | 118.4 | 43% | 0.426 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.1 | -42.6 | 174.8 | -69.2 | 163.9 | 0 | 0 | 0 | 110.8 | Q246 Q247 H248 L253 Q254 | Q246-I250 WeakPolarHBondContact O-CG1 3.47Å; Q246-I250 PolarHBondContact O-N 2.7Å; Q247-I250 PolarHBondContact O-N 3.07Å; H248-I250 VanDerWaalsContact C-N 3.34Å; H248-I250 PolarHBondContact O-N 3.18Å; I250-L253 PolarHBondContact O-N 3.43Å; I250-Q254 WeakPolarHBondContact O-CG 3.3Å; I250-Q254 PolarHBondContact O-N 2.95Å |
| 251 | N | 92.4 | Very high | 85.4 | Confident | 84 Ų | 84 | 115.1 Ų | 115.1 | 45% | 0.449 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.3 | -39.1 | 175.5 | -75.1 | -36 | 0 | 0 | 0 | 112.8 | Q247 H248 Q254 Q255 | Q247-N251 PolarHBondContact O-N 3.43Å; Q247-N251 PolarHBondContact O-ND2 2.99Å; H248-N251 PolarHBondContact O-N 3.18Å; N251-Q254 PolarHBondContact O-N 2.79Å; N251-Q254 PolarHBondContact OD1-NE2 2.96Å; N251-Q255 WeakPolarHBondContact O-CB 3.29Å; N251-Q255 PolarHBondContact O-N 3.2Å |
| 252 | L | 92.8 | Very high | 82.8 | Confident | 96 Ų | 96 | 116.5 Ų | 116.5 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.9 | -40.3 | 175.4 | -173 | 64.4 | 0 | 0 | 0 | 112.1 | H248 K249 Q255 Q256 | H248-L252 PolarHBondContact O-N 2.92Å; K249-L252 PolarHBondContact O-N 3.27Å; L252-Q255 PolarHBondContact O-N 3.18Å; L252-Q256 PolarHBondContact O-N 3.04Å |
| 253 | L | 90.6 | Very high | 80.3 | Confident | 82 Ų | 82 | 117.4 Ų | 117.4 | 43% | 0.429 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.7 | -43 | 174.6 | -72.8 | 169.2 | 0 | 0 | 0 | 112 | K249 I250 Q255 Q256 I257 | K249-L253 HydrophobicContact CG-CD1 4.27Å; K249-L253 WeakPolarHBondContact O-CB 3.37Å; K249-L253 WeakPolarHBondContact O-CG 3.21Å; K249-L253 PolarHBondContact O-N 2.85Å; I250-L253 PolarHBondContact O-N 3.43Å; L253-Q255 VanDerWaalsContact C-N 3.32Å; L253-Q255 PolarHBondContact O-N 2.99Å; L253-Q256 PolarHBondContact O-N 3Å; L253-I257 VanDerWaalsContact O-CG1 3.28Å; L253-I257 WeakPolarHBondContact O-CG1 3.43Å; L253-I257 PolarHBondContact O-N 2.65Å |
| 254 | Q | 85.8 | Confident | 78 | Confident | 106 Ų | 106 | 116.1 Ų | 116.1 | 50% | 0.495 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.5 | -42.9 | 172.7 | -75 | 179 | 108.3 | 0 | 0 | 111.5 | I250 N251 Q256 I257 Q258 | I250-Q254 WeakPolarHBondContact O-CG 3.3Å; I250-Q254 PolarHBondContact O-N 2.95Å; N251-Q254 PolarHBondContact O-N 2.79Å; N251-Q254 PolarHBondContact OD1-NE2 2.96Å; Q254-Q256 PolarHBondContact O-N 3.2Å; Q254-I257 PolarHBondContact O-N 3.33Å; Q254-Q258 WeakPolarHBondContact O-CB 3.48Å; Q254-Q258 PolarHBondContact O-N 2.94Å |
| 255 | Q | 85.6 | Confident | 75.6 | Confident | 131 Ų | 131 | 116.3 Ų | 116.3 | 61% | 0.612 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.6 | -41 | 176.3 | -173 | 171.5 | 91.3 | 0 | 0 | 112.1 | N251 L252 L253 I257 Q258 V259 | N251-Q255 WeakPolarHBondContact O-CB 3.29Å; N251-Q255 PolarHBondContact O-N 3.2Å; L252-Q255 PolarHBondContact O-N 3.18Å; L253-Q255 VanDerWaalsContact C-N 3.32Å; L253-Q255 PolarHBondContact O-N 2.99Å; Q255-I257 PolarHBondContact O-N 3.13Å; Q255-Q258 WeakPolarHBondContact O-CB 3.4Å; Q255-Q258 PolarHBondContact O-N 3.14Å; Q255-V259 WeakPolarHBondContact O-CG2 3.45Å; Q255-V259 PolarHBondContact O-N 3.4Å |
| 256 | Q | 81.1 | Confident | 73.5 | Confident | 126 Ų | 126 | 116.3 Ų | 116.3 | 59% | 0.589 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.9 | -40.7 | 174.4 | -171.6 | 175.2 | 9.3 | 0 | 0 | 112.1 | L252 L253 Q254 V259 Q260 | L252-Q256 PolarHBondContact O-N 3.04Å; L253-Q256 PolarHBondContact O-N 3Å; Q254-Q256 PolarHBondContact O-N 3.2Å; Q256-V259 PolarHBondContact O-N 3.22Å; Q256-Q260 WeakPolarHBondContact O-CB 3.38Å; Q256-Q260 PolarHBondContact O-N 3.37Å |
| 257 | I | 79.4 | Confident | 70.8 | Confident | 115 Ų | 115 | 119 Ų | 119 | 59% | 0.59 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.9 | -38.9 | 174.1 | -67.3 | 162.8 | 0 | 0 | 0 | 110.8 | L253 Q254 Q255 V259 Q260 G261 | L253-I257 VanDerWaalsContact O-CG1 3.28Å; L253-I257 WeakPolarHBondContact O-CG1 3.43Å; L253-I257 PolarHBondContact O-N 2.65Å; Q254-I257 PolarHBondContact O-N 3.33Å; Q255-I257 PolarHBondContact O-N 3.13Å; I257-V259 VanDerWaalsContact C-N 3.3Å; I257-V259 PolarHBondContact O-N 2.82Å; I257-Q260 PolarHBondContact O-N 2.81Å; I257-G261 WeakPolarHBondContact O-CA 3.38Å; I257-G261 PolarHBondContact O-N 3.47Å |
| 258 | Q | 67.7 | Low | 68.6 | Low | 137 Ų | 137 | 121.5 Ų | 121.5 | 64% | 0.64 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.8 | -33.9 | 177.5 | -155 | 77.8 | 70.1 | 0 | 0 | 112.7 | Q254 Q255 H262 | Q254-Q258 WeakPolarHBondContact O-CB 3.48Å; Q254-Q258 PolarHBondContact O-N 2.94Å; Q255-Q258 WeakPolarHBondContact O-CB 3.4Å; Q255-Q258 PolarHBondContact O-N 3.14Å; Q258-H262 PolarHBondContact O-ND1 2.88Å |
| 259 | V | 64.5 | Low | 66 | Low | 112 Ų | 112 | 119.8 Ų | 119.8 | 68% | 0.679 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -77.9 | -38.9 | 176 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | Q255 Q256 I257 G261 | Q255-V259 WeakPolarHBondContact O-CG2 3.45Å; Q255-V259 PolarHBondContact O-N 3.4Å; Q256-V259 PolarHBondContact O-N 3.22Å; I257-V259 VanDerWaalsContact C-N 3.3Å; I257-V259 PolarHBondContact O-N 2.82Å; V259-G261 VanDerWaalsContact C-N 3.35Å |
| 260 | Q | 53.9 | Low | 63.3 | Low | 161 Ų | 161 | 121 Ų | 121 | 75% | 0.752 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.7 | -25.9 | 174.4 | -173.5 | 170.4 | 80.8 | 0 | 0 | 112.9 | Q256 I257 H262 | Q256-Q260 WeakPolarHBondContact O-CB 3.38Å; Q256-Q260 PolarHBondContact O-N 3.37Å; I257-Q260 PolarHBondContact O-N 2.81Å; Q260-H262 PolarHBondContact O-N 3.28Å |
| 261 | G | 52.4 | Low | 60.9 | Low | 55 Ų | 55 | 125.5 Ų | 125.5 | 57% | 0.567 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -6.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | I257 V259 M263 | I257-G261 WeakPolarHBondContact O-CA 3.38Å; I257-G261 PolarHBondContact O-N 3.47Å; V259-G261 VanDerWaalsContact C-N 3.35Å; G261-M263 PolarHBondContact O-N 3.42Å |
| 262 | H | 42.5 | Very low | 58.5 | Low | 165 Ų | 165 | 126.9 Ų | 126.9 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | trans | -78.8 | 45.5 | 174.7 | -97 | 82.9 | 0 | 0 | 0 | 113.3 | Q258 Q260 | Q258-H262 PolarHBondContact O-ND1 2.88Å; Q260-H262 PolarHBondContact O-N 3.28Å | ||
| 263 | M | 43.3 | Very low | 56.3 | Low | 142 Ų | 142 | 131.6 Ų | 131.6 | 70% | 0.7 | 69% | 0.69 | S | S | * | * | trans | -70.8 | 129.1 | 151 | -77 | -65.7 | -68.9 | 0 | 0 | 107.4 | G261 | G261-M263 PolarHBondContact O-N 3.42Š| ||
| 264 | P | 46.8 | Very low | 53.6 | Low | 93 Ų | 93 | 134.2 Ų | 134.2 | 60% | 0.604 | 70% | 0.704 | S | S | * | * | trans | -60.7 | 144.7 | 175 | 27 | -34.1 | 0 | 0 | 0 | 109.4 | L266 | P264-L266 PolarHBondContact O-N 2.68Š| ||
| 265 | P | 46.3 | Very low | 51.7 | Low | 126 Ų | 126 | 137.2 Ų | 137.2 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -62.7 | 106 | 177.2 | 26.1 | -33.3 | 0 | 0 | 0 | 109 | M267 | P265-M267 PolarHBondContact O-N 2.85Å; P265-M267 VanDerWaalsContact O-N 3.12Å | ||
| 266 | L | 50.1 | Low | 49.8 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -59.7 | 117.6 | 171.2 | -69.8 | 175.6 | 0 | 0 | 0 | 107.6 | P264 I268 | P264-L266 PolarHBondContact O-N 2.68Å; L266-I268 PolarHBondContact O-N 2.71Å | ||
| 267 | M | 38.2 | Very low | 47.8 | Very low | 179 Ų | 179 | 141 Ų | 141 | 88% | 0.882 | 74% | 0.735 | S | S | * | * | trans | -63.1 | 98.1 | 175.8 | -83.1 | -174.2 | 60.9 | 0 | 0 | 109.7 | P265 P269 | P265-M267 PolarHBondContact O-N 2.85Å; P265-M267 VanDerWaalsContact O-N 3.12Å; M267-P269 WeakPolarHBondContact O-CD 3.36Å | ||
| 268 | I | 46.7 | Very low | 46.4 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | trans | -65.5 | 121.3 | 159.2 | -59.9 | 175.8 | 0 | 0 | 0 | 106.1 | L266 I270 | L266-I268 PolarHBondContact O-N 2.71Å; I268-I270 PolarHBondContact O-N 3.3Å | ||
| 269 | P | 39 | Very low | 45.4 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 60% | 0.604 | 76% | 0.76 | S | S | * | * | trans | -60.9 | 121.6 | 175.1 | -22.4 | 34.3 | 0 | 0 | 0 | 109.6 | M267 F271 | M267-P269 WeakPolarHBondContact O-CD 3.36Å; P269-F271 VanDerWaalsContact C-N 3.34Å; P269-F271 HydrophobicContact CB-CD2 4.49Å; P269-F271 HydrophobicContact CB-CE2 4.41Å; P269-F271 PolarHBondContact O-N 2.94Å | ||
| 270 | I | 38.3 | Very low | 44.4 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | trans | -70.9 | 95 | 174 | -59.3 | 175.1 | 0 | 0 | 0 | 107.3 | I268 | I268-I270 PolarHBondContact O-N 3.3Š| ||
| 271 | F | 41.1 | Very low | 43.6 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 77% | 0.772 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 143.1 | 164.6 | -88.9 | -91.3 | 0 | 0 | 0 | 109.5 | P269 | P269-F271 VanDerWaalsContact C-N 3.34Å; P269-F271 HydrophobicContact CB-CD2 4.49Å; P269-F271 HydrophobicContact CB-CE2 4.41Å; P269-F271 PolarHBondContact O-N 2.94Å |
| 272 | P | 42.8 | Very low | 43 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 153.1 | -178.2 | -24 | 34.7 | 0 | 0 | 0 | 113.1 | D274 | P272-D274 PolarHBondContact O-N 2.93Š|
| 273 | H | 46.8 | Very low | 42.9 | Very low | 194 Ų | 194 | 137.8 Ų | 137.8 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 126.9 | 170.5 | -127.8 | -50 | 0 | 0 | 0 | 110.2 | ||
| 274 | D | 34.1 | Very low | 42.7 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -133 | 150.5 | 162.1 | -159.9 | -4.7 | 0 | 0 | 0 | 110.1 | P272 R276 | P272-D274 PolarHBondContact O-N 2.93Å; D274-R276 PolarHBondContact O-N 3.49Å | ||
| 275 | Q | 44.7 | Very low | 42.2 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -95.1 | 93 | -167.5 | -64.4 | -174.9 | 14.7 | 0 | 0 | 111.9 | ||||
| 276 | R | 45.8 | Very low | 41.7 | Very low | 223 Ų | 223 | 143.3 Ų | 143.3 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | -167.3 | 173.1 | 152.3 | -112.8 | 155.1 | -71.7 | -171.4 | 4.3 | 112.3 | D274 | D274-R276 PolarHBondContact O-N 3.49Š| ||
| 277 | T | 39.7 | Very low | 40.9 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 69% | 0.693 | 81% | 0.812 | S | S | * | * | trans | 72 | 50.5 | 177 | -37 | 0 | 0 | 0 | 0 | 115.6 | A280 | T277-A280 HydrophobicContact CG2-CB 3.93Š| ||
| 278 | L | 49 | Very low | 40.7 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -61.4 | 151.4 | 133.4 | -83.1 | 162.7 | 0 | 0 | 0 | 108.9 | ||||
| 279 | A | 47.5 | Very low | 40 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | 68.5 | 73.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 280 | A | 42.4 | Very low | 40 | Very low | 88 Ų | 88 | 145.8 Ų | 145.8 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -142.6 | 18.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T277 | T277-A280 HydrophobicContact CG2-CB 3.93Š| ||
| 281 | A | 37.3 | Very low | 40 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -126.2 | 32.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 282 | A | 41.2 | Very low | 40.1 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -135.5 | 27.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 283 | A | 38.8 | Very low | 39.6 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -155.8 | 88.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 284 | A | 39.7 | Very low | 38.8 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 88% | 0.876 | 83% | 0.828 | S | S | * | * | trans | -164.6 | 58.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 285 | Q | 37.3 | Very low | 38.8 | Very low | 175 Ų | 175 | 137.7 Ų | 137.7 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -95.8 | 161.4 | 154.6 | -77.7 | -159.8 | 12.1 | 0 | 0 | 109.5 | ||||
| 286 | Q | 35.8 | Very low | 38.1 | Very low | 195 Ų | 195 | 140.6 Ų | 140.6 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | trans | 72.3 | 156.1 | 172.1 | -43.5 | 179.5 | 15.9 | 0 | 0 | 114.9 | ||||
| 287 | G | 31.8 | Very low | 37.7 | Very low | 79 Ų | 79 | 138.5 Ų | 138.5 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | trans | 122.4 | 72.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 288 | F | 34.3 | Very low | 37.9 | Very low | 193 Ų | 193 | 139 Ų | 139 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | trans | -44.6 | 149.2 | 162.8 | -116.7 | -112.5 | 0 | 0 | 0 | 114 | ||||
| 289 | L | 32.2 | Very low | 37.1 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | -167.3 | 133.3 | 124.5 | -105.6 | 165.7 | 0 | 0 | 0 | 112.5 | |||||
| 290 | F | 40.3 | Very low | 36.3 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 77% | 0.772 | 82% | 0.816 | S | S | * | * | trans | -117.7 | 144.7 | 175.1 | -108.9 | -86.1 | 0 | 0 | 0 | 109.3 | ||||
| 291 | P | 36.3 | Very low | 35.7 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 82% | 0.819 | S | S | * | * | trans | -82.4 | 146.6 | 154 | -9.1 | 27.7 | 0 | 0 | 0 | 110.8 | ||||
| 292 | P | 43.3 | Very low | 35.3 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | trans | -97.5 | 154.9 | -168.4 | 37.2 | -35.7 | 0 | 0 | 0 | 114.8 | ||||
| 293 | G | 32.5 | Very low | 35.3 | Very low | 71 Ų | 71 | 145.1 Ų | 145.1 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | -169.1 | 90.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 294 | M | 31.5 | Very low | 35.2 | Very low | 200 Ų | 200 | 146.7 Ų | 146.7 | 99% | 0.985 | 81% | 0.814 | S | S | * | * | trans | 69.3 | 160.7 | 170.4 | -51.5 | -145.3 | 75 | 0 | 0 | 117.5 | ||||
| 295 | S | 34.3 | Very low | 34.9 | Very low | 96 Ų | 96 | 150.3 Ų | 150.3 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | trans | -139.6 | 146.8 | -162.2 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 296 | Y | 29.2 | Very low | 34.7 | Very low | 232 Ų | 232 | 151.4 Ų | 151.4 | 91% | 0.91 | 82% | 0.816 | S | S | * | * | trans | -149.8 | 163.2 | 133.5 | -132.2 | -96.2 | 0 | 0 | 0 | 111.6 | ||||
| 297 | K | 36.6 | Very low | 34.8 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 78% | 0.778 | 81% | 0.809 | S | S | * | * | trans | -100.8 | 162.6 | -170 | -82.2 | -72.7 | -170.7 | 174.4 | 0 | 113.6 | ||||
| 298 | P | 45.3 | Very low | 35.1 | Very low | 123 Ų | 123 | 151 Ų | 151 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -107.4 | 172.8 | -157.9 | 41.8 | -37.4 | 0 | 0 | 0 | 115.8 | ||||
| 299 | G | 31.3 | Very low | 35.9 | Very low | 60 Ų | 60 | 147 Ų | 147 | 62% | 0.619 | 80% | 0.801 | S | S | * | * | trans | 136.6 | 137.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 300 | D | 30.7 | Very low | 36.6 | Very low | 151 Ų | 151 | 143 Ų | 143 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | cis | -159.2 | 170.9 | -9 | -96.4 | -45.4 | 0 | 0 | 0 | 110.8 | ||||
| 301 | N | 29.7 | Very low | 36.8 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 68.4 | 94.6 | 166 | -64.8 | -68.6 | 0 | 0 | 0 | 119.8 | ||||
| 302 | Y | 30.1 | Very low | 37 | Very low | 226 Ų | 226 | 142 Ų | 142 | 89% | 0.886 | 80% | 0.798 | S | S | * | * | -146.4 | 137.7 | 129.5 | -108.1 | -85.4 | 0 | 0 | 0 | 108.9 | |||||
| 303 | P | 40.8 | Very low | 37 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 128.2 | -172.4 | 30.2 | -34.9 | 0 | 0 | 0 | 113.3 | ||
| 304 | V | 35.1 | Very low | 37.5 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 116.8 | 164.9 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | ||
| 305 | Q | 33.7 | Very low | 38 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 155.4 | 167.8 | -75.9 | -150.2 | 6.9 | 0 | 0 | 112 | ||
| 306 | F | 34.1 | Very low | 38.5 | Very low | 199 Ų | 199 | 134.2 Ų | 134.2 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 143.1 | -165.6 | -79.3 | -112.6 | 0 | 0 | 0 | 113.7 | ||
| 307 | I | 37.4 | Very low | 39.7 | Very low | 152 Ų | 152 | 127 Ų | 127 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 121.8 | 157.2 | -59.5 | 173.5 | 0 | 0 | 0 | 107.2 | S309 | I307-S309 PolarHBondContact O-N 2.92Š|
| 308 | P | 38.1 | Very low | 40.4 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 125.8 | 177.2 | -23 | 35.3 | 0 | 0 | 0 | 113.1 | A310 | P308-A310 VanDerWaalsContact C-N 3.31Å; P308-A310 PolarHBondContact O-N 3.13Å |
| 309 | S | 51.1 | Low | 40.9 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -74.1 | 67.1 | -175.8 | -59.7 | 0 | 0 | 0 | 0 | 114.5 | I307 | I307-S309 PolarHBondContact O-N 2.92Š| ||
| 310 | A | 46.3 | Very low | 42.5 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | trans | -75.1 | -27.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P308 A312 | P308-A310 VanDerWaalsContact C-N 3.31Å; P308-A310 PolarHBondContact O-N 3.13Å; A310-A312 PolarHBondContact O-N 3.36Å | ||
| 311 | M | 44.9 | Very low | 43.7 | Very low | 184 Ų | 184 | 120 Ų | 120 | 91% | 0.906 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -13.3 | -172.9 | -59.2 | -172.1 | 78.4 | 0 | 0 | 114.4 | ||
| 312 | A | 40.8 | Very low | 45.3 | Very low | 87 Ų | 87 | 119.3 Ų | 119.3 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -15.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A310 | A310-A312 PolarHBondContact O-N 3.36Š|
| 313 | A | 42.7 | Very low | 46.9 | Very low | 76 Ų | 76 | 113 Ų | 113 | 63% | 0.628 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -94 | -15.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A315 | A313-A315 VanDerWaalsContact C-N 3.31Å; A313-A315 PolarHBondContact O-N 3.42Å |
| 314 | A | 43.8 | Very low | 48.5 | Very low | 62 Ų | 62 | 112.5 Ų | 112.5 | 51% | 0.512 | 71% | 0.705 | S | S | . | * | G | 310 helix | trans | -74.4 | -16.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A316 | A314-A316 PolarHBondContact O-N 2.96Š|
| 315 | A | 41.2 | Very low | 50.3 | Low | 105 Ų | 105 | 112.1 Ų | 112.1 | 87% | 0.868 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -74.3 | -4.9 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | A313 | A313-A315 VanDerWaalsContact C-N 3.31Å; A313-A315 PolarHBondContact O-N 3.42Å |
| 316 | A | 45.7 | Very low | 52.1 | Low | 94 Ų | 94 | 110.1 Ų | 110.1 | 78% | 0.777 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -105.2 | -6.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A314 | A314-A316 PolarHBondContact O-N 2.96Š|
| 317 | S | 54.9 | Low | 53.7 | Low | 79 Ų | 79 | 106.1 Ų | 106.1 | 55% | 0.552 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -126.3 | 106.3 | -173.6 | -65.1 | 0 | 0 | 0 | 0 | 110.7 | L319 | S317-L319 PolarHBondContact O-N 3.34Š|
| 318 | G | 50.7 | Low | 54.9 | Low | 94 Ų | 94 | 105.7 Ų | 105.7 | 97% | 0.969 | 66% | 0.661 | S | S | * | * | trans | -71.4 | 59.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 319 | L | 55.2 | Low | 56.1 | Low | 110 Ų | 110 | 102.9 Ų | 102.9 | 58% | 0.576 | 65% | 0.647 | S | S | * | * | trans | -86.9 | 149.1 | 175.9 | -64.5 | 174.9 | 0 | 0 | 0 | 111.4 | S317 Q323 | S317-L319 PolarHBondContact O-N 3.34Å; L319-Q323 HydrophobicContact CB-CB 4.45Å | ||
| 320 | S | 64.7 | Low | 56.5 | Low | 50 Ų | 50 | 100.6 Ų | 100.6 | 35% | 0.35 | 64% | 0.635 | S | S | . | * | trans | -71.2 | 154.3 | -179.5 | 67.9 | 0 | 0 | 0 | 0 | 112.4 | L322 Q323 L324 | S320-L322 PolarHBondContact O-N 2.92Å; S320-L322 VanDerWaalsContact O-N 3.12Å; S320-Q323 WeakPolarHBondContact O-CB 3.46Å; S320-Q323 PolarHBondContact O-N 2.99Å; S320-Q323 WeakPolarHBondContact OG-CG 3.19Å; S320-Q323 PolarHBondContact OG-OE1 3.36Å; S320-L324 PolarHBondContact O-N 3.48Å; S320-L324 VanDerWaalsContact O-N 3.15Å | ||
| 321 | P | 56.4 | Low | 57 | Low | 112 Ų | 112 | 102.5 Ų | 102.5 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -55.8 | -32.5 | 178.9 | -27.4 | 35.5 | 0 | 0 | 0 | 113.9 | L324 Q325 | P321-L324 PolarHBondContact O-N 3.07Å; P321-Q325 WeakPolarHBondContact O-CB 3.31Å; P321-Q325 PolarHBondContact O-N 3.4Å |
| 322 | L | 63.3 | Low | 57.7 | Low | 135 Ų | 135 | 98.1 Ų | 98.1 | 71% | 0.707 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67 | -37.8 | 177.7 | -153.7 | 82 | 0 | 0 | 0 | 112.1 | S320 Q325 Q326 | S320-L322 PolarHBondContact O-N 2.92Å; S320-L322 VanDerWaalsContact O-N 3.12Å; L322-Q325 PolarHBondContact O-N 2.96Å; L322-Q326 VanDerWaalsContact O-CB 3.31Å; L322-Q326 WeakPolarHBondContact O-CB 3.4Å; L322-Q326 PolarHBondContact O-N 2.67Å |
| 323 | Q | 64.5 | Low | 58.3 | Low | 95 Ų | 95 | 97.4 Ų | 97.4 | 44% | 0.444 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.9 | -37.8 | 175.7 | -70.2 | 163.2 | -56.1 | 0 | 0 | 111.2 | L319 S320 Q326 L327 | L319-Q323 HydrophobicContact CB-CB 4.45Å; S320-Q323 WeakPolarHBondContact O-CB 3.46Å; S320-Q323 PolarHBondContact O-N 2.99Å; S320-Q323 WeakPolarHBondContact OG-CG 3.19Å; S320-Q323 PolarHBondContact OG-OE1 3.36Å; Q323-Q326 PolarHBondContact O-N 3.01Å; Q323-L327 WeakPolarHBondContact O-CB 3.46Å; Q323-L327 PolarHBondContact O-N 2.74Å |
| 324 | L | 73.3 | Confident | 58.3 | Low | 107 Ų | 107 | 97.7 Ų | 97.7 | 56% | 0.56 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.1 | -45.3 | 174.1 | -164 | 78.6 | 0 | 0 | 0 | 111.4 | S320 P321 Q326 L327 Y328 | S320-L324 PolarHBondContact O-N 3.48Å; S320-L324 VanDerWaalsContact O-N 3.15Å; P321-L324 PolarHBondContact O-N 3.07Å; L324-Q326 VanDerWaalsContact C-N 3.28Å; L324-Q326 PolarHBondContact O-N 3.49Å; L324-L327 PolarHBondContact O-N 3.24Å; L324-Y328 WeakPolarHBondContact O-CB 3.34Å; L324-Y328 PolarHBondContact O-N 3.28Å |
| 325 | Q | 73 | Confident | 58.5 | Low | 128 Ų | 128 | 101.8 Ų | 101.8 | 60% | 0.598 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -58.3 | -40.4 | 174.9 | -173.6 | 71.9 | 81.5 | 0 | 0 | 111.9 | P321 L322 A329 | P321-Q325 WeakPolarHBondContact O-CB 3.31Å; P321-Q325 PolarHBondContact O-N 3.4Å; L322-Q325 PolarHBondContact O-N 2.96Å; Q325-A329 WeakPolarHBondContact O-CB 3.44Å; Q325-A329 PolarHBondContact O-N 3.09Å |
| 326 | Q | 71.3 | Confident | 58.7 | Low | 138 Ų | 138 | 104.9 Ų | 104.9 | 65% | 0.645 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -77.3 | -35.4 | -177.9 | -165.8 | 163.3 | 83.3 | 0 | 0 | 112.7 | L322 Q323 L324 A329 A330 | L322-Q326 VanDerWaalsContact O-CB 3.31Å; L322-Q326 WeakPolarHBondContact O-CB 3.4Å; L322-Q326 PolarHBondContact O-N 2.67Å; Q323-Q326 PolarHBondContact O-N 3.01Å; L324-Q326 VanDerWaalsContact C-N 3.28Å; L324-Q326 PolarHBondContact O-N 3.49Å; Q326-A329 PolarHBondContact O-N 3.31Å; Q326-A330 WeakPolarHBondContact O-CB 2.97Å; Q326-A330 PolarHBondContact O-N 2.82Å |
| 327 | L | 67.3 | Low | 58.3 | Low | 116 Ų | 116 | 106.3 Ų | 106.3 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.9 | -42.6 | 172 | -156.7 | 85.6 | 0 | 0 | 0 | 111.1 | Q323 L324 A330 Q331 | Q323-L327 WeakPolarHBondContact O-CB 3.46Å; Q323-L327 PolarHBondContact O-N 2.74Å; L324-L327 PolarHBondContact O-N 3.24Å; L327-A330 PolarHBondContact O-N 2.99Å; L327-Q331 WeakPolarHBondContact O-CB 2.97Å; L327-Q331 PolarHBondContact O-N 3.42Å |
| 328 | Y | 63.4 | Low | 57.4 | Low | 142 Ų | 142 | 107.4 Ų | 107.4 | 56% | 0.557 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.3 | -40.9 | 174.9 | -176.2 | -111.4 | 0 | 0 | 0 | 112 | L324 Q331 L332 | L324-Y328 WeakPolarHBondContact O-CB 3.34Å; L324-Y328 PolarHBondContact O-N 3.28Å; Y328-Q331 PolarHBondContact O-N 3.34Å; Y328-L332 HydrophobicContact CD1-CD1 3.98Å; Y328-L332 HydrophobicContact CE1-CD1 3.59Å; Y328-L332 HydrophobicContact CE1-CG 4.47Å; Y328-L332 WeakPolarHBondContact O-CG 3.47Å; Y328-L332 PolarHBondContact O-N 3.39Å |
| 329 | A | 63.8 | Low | 56.8 | Low | 53 Ų | 53 | 109.6 Ų | 109.6 | 44% | 0.438 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64 | -41 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q325 Q326 L332 A333 | Q325-A329 WeakPolarHBondContact O-CB 3.44Å; Q325-A329 PolarHBondContact O-N 3.09Å; Q326-A329 PolarHBondContact O-N 3.31Å; A329-L332 PolarHBondContact O-N 3.32Å; A329-A333 WeakPolarHBondContact O-CB 3.29Å; A329-A333 PolarHBondContact O-N 3.38Å |
| 330 | A | 58.2 | Low | 56 | Low | 61 Ų | 61 | 108.2 Ų | 108.2 | 50% | 0.504 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.2 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q326 L327 A333 S334 | Q326-A330 WeakPolarHBondContact O-CB 2.97Å; Q326-A330 PolarHBondContact O-N 2.82Å; L327-A330 PolarHBondContact O-N 2.99Å; A330-A333 PolarHBondContact O-N 3.07Å; A330-S334 PolarHBondContact O-N 3.36Å |
| 331 | Q | 58.7 | Low | 54.4 | Low | 124 Ų | 124 | 110.4 Ų | 110.4 | 58% | 0.579 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68 | -40.1 | 177.2 | -165.2 | 162.2 | 11.4 | 0 | 0 | 111.8 | L327 Y328 S334 M335 | L327-Q331 WeakPolarHBondContact O-CB 2.97Å; L327-Q331 PolarHBondContact O-N 3.42Å; Y328-Q331 PolarHBondContact O-N 3.34Å; Q331-S334 PolarHBondContact O-N 3.31Å; Q331-S334 PolarHBondContact O-OG 2.81Å; Q331-M335 PolarHBondContact O-N 2.61Å |
| 332 | L | 59.6 | Low | 53.3 | Low | 92 Ų | 92 | 115.1 Ų | 115.1 | 48% | 0.482 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -63 | -39.2 | 171 | -74.7 | 171.3 | 0 | 0 | 0 | 112.6 | Y328 A329 S334 M335 | Y328-L332 HydrophobicContact CD1-CD1 3.98Å; Y328-L332 HydrophobicContact CE1-CD1 3.59Å; Y328-L332 HydrophobicContact CE1-CG 4.47Å; Y328-L332 WeakPolarHBondContact O-CG 3.47Å; Y328-L332 PolarHBondContact O-N 3.39Å; A329-L332 PolarHBondContact O-N 3.32Å; L332-S334 VanDerWaalsContact C-N 3.28Å; L332-S334 PolarHBondContact O-N 3.09Å; L332-M335 PolarHBondContact O-N 2.99Å |
| 333 | A | 52 | Low | 51.9 | Low | 72 Ų | 72 | 117 Ų | 117 | 60% | 0.595 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -63.1 | -34.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A329 A330 M335 | A329-A333 WeakPolarHBondContact O-CB 3.29Å; A329-A333 PolarHBondContact O-N 3.38Å; A330-A333 PolarHBondContact O-N 3.07Å; A333-M335 VanDerWaalsContact C-N 3.28Å; A333-M335 PolarHBondContact O-N 2.66Å |
| 334 | S | 44.1 | Very low | 50.4 | Low | 83 Ų | 83 | 117.5 Ų | 117.5 | 58% | 0.58 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.4 | -15.2 | 177.8 | 76.4 | 0 | 0 | 0 | 0 | 115 | A330 Q331 L332 | A330-S334 PolarHBondContact O-N 3.36Å; Q331-S334 PolarHBondContact O-N 3.31Å; Q331-S334 PolarHBondContact O-OG 2.81Å; L332-S334 VanDerWaalsContact C-N 3.28Å; L332-S334 PolarHBondContact O-N 3.09Å |
| 335 | M | 46.4 | Very low | 48.6 | Very low | 147 Ų | 147 | 118.6 Ų | 118.6 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -2.5 | -179.7 | -71.1 | -167.6 | 70.5 | 0 | 0 | 114.5 | Q331 L332 A333 V337 | Q331-M335 PolarHBondContact O-N 2.61Å; L332-M335 PolarHBondContact O-N 2.99Å; A333-M335 VanDerWaalsContact C-N 3.28Å; A333-M335 PolarHBondContact O-N 2.66Å; M335-V337 VanDerWaalsContact C-N 3.33Å; M335-V337 PolarHBondContact O-N 3.06Å |
| 336 | Q | 45.8 | Very low | 46.7 | Very low | 170 Ų | 170 | 120.4 Ų | 120.4 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | trans | -81 | 73.5 | 177.1 | -74.1 | -79.5 | 36.2 | 0 | 0 | 111.8 | ||||
| 337 | V | 37.2 | Very low | 45.1 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | trans | -107 | 112.4 | 174.2 | -173.1 | 0 | 0 | 0 | 0 | 110.4 | M335 | M335-V337 VanDerWaalsContact C-N 3.33Å; M335-V337 PolarHBondContact O-N 3.06Å | ||
| 338 | S | 36.4 | Very low | 43.2 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | trans | -63.8 | 139.4 | 176.1 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | G340 | S338-G340 PolarHBondContact O-N 3.33Š| ||
| 339 | P | 38.7 | Very low | 41.8 | Very low | 140 Ų | 140 | 121 Ų | 121 | 91% | 0.909 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -73.2 | 100.1 | 172.9 | 29.7 | -33 | 0 | 0 | 0 | 110.3 | ||
| 340 | G | 37.2 | Very low | 40 | Very low | 81 Ų | 81 | 125.1 Ų | 125.1 | 84% | 0.835 | 74% | 0.738 | S | S | * | * | trans | 169.3 | 25.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | S338 | S338-G340 PolarHBondContact O-N 3.33Š| ||
| 341 | A | 32.1 | Very low | 38.6 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -127.9 | 136.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 342 | K | 32.4 | Very low | 37.2 | Very low | 211 Ų | 211 | 128.8 Ų | 128.8 | 92% | 0.917 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 130.6 | 175.1 | -65.2 | 179.9 | 179.7 | 179.8 | 0 | 109.8 | ||
| 343 | M | 34.3 | Very low | 35.8 | Very low | 175 Ų | 175 | 129.5 Ų | 129.5 | 86% | 0.862 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 138.5 | 175.6 | -69 | -68.2 | -74.8 | 0 | 0 | 111.6 | ||
| 344 | P | 32.9 | Very low | 34.7 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 157.3 | 165 | 34.8 | -33.6 | 0 | 0 | 0 | 111.4 | ||
| 345 | P | 36.1 | Very low | 34.7 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 154.7 | -179.7 | 34.4 | -35.2 | 0 | 0 | 0 | 113.6 | ||
| 346 | L | 33.5 | Very low | 34.2 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -122.2 | 152.4 | 166 | -161.4 | 68 | 0 | 0 | 0 | 108.1 | ||||
| 347 | P | 38.1 | Very low | 33.3 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -72.4 | 154.5 | -161 | -23.6 | 35.8 | 0 | 0 | 0 | 118.3 | ||||
| 348 | Q | 26.7 | Very low | 34 | Very low | 182 Ų | 182 | 127.9 Ų | 127.9 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -30 | 160.9 | 148.5 | -92.8 | -174.1 | 18.3 | 0 | 0 | 116.2 | ||||
| 349 | P | 34.1 | Very low | 33.8 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | -155.5 | -176.4 | 54.8 | 45.7 | -25 | 0 | 0 | 0 | 120.6 | |||||
| 350 | L | 26.6 | Very low | 33.4 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 81.2 | 106.6 | 161.1 | -64 | 169.2 | 0 | 0 | 0 | 119.8 | ||||
| 351 | N | 27.9 | Very low | 33.3 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | 46.2 | 145.4 | 121.6 | -52.7 | -4.7 | 0 | 0 | 0 | 119.9 | |||||
| 352 | T | 28.2 | Very low | 33.2 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | cis | -160.2 | 163.6 | 29.8 | -30.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 353 | S | 32.1 | Very low | 33.1 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | 52.4 | 117.3 | 152.2 | 57.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 354 | G | 27.9 | Very low | 32.7 | Very low | 66 Ų | 66 | 124.9 Ų | 124.9 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | trans | -86.5 | -147 | 143.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 355 | P | 45 | Very low | 32.7 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | cis | -93.2 | -136.7 | -0.5 | 12 | 10.7 | 0 | 0 | 0 | 110.9 | ||||
| 356 | I | 34.8 | Very low | 32.4 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | cis | -148.9 | 163.2 | 13.2 | 45.2 | 169 | 0 | 0 | 0 | 112.6 | ||||
| 357 | S | 26.3 | Very low | 32 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | -115.2 | -156.6 | 167.5 | -48 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 358 | P | 52.1 | Low | 31.5 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | cis | -141.9 | -164.8 | -8.9 | 34.5 | -10.2 | 0 | 0 | 0 | 115.1 | ||||
| 359 | S | 32.4 | Very low | 31.5 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | trans | 85 | 153.5 | 134.5 | 85 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 360 | S | 31.7 | Very low | 31.9 | Very low | 102 Ų | 102 | 122.2 Ų | 122.2 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | cis | -163.5 | -176.6 | 3 | -138.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 361 | L | 33.1 | Very low | 32 | Very low | 139 Ų | 139 | 122.9 Ų | 122.9 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | trans | 83.4 | 148 | 171.9 | -47 | -174.8 | 0 | 0 | 0 | 114.7 | ||||
| 362 | K | 31.5 | Very low | 32.3 | Very low | 158 Ų | 158 | 121.3 Ų | 121.3 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | cis | -165.2 | 166.9 | -9.7 | -116 | 172.4 | 176.1 | 176.9 | 0 | 107.3 | ||||
| 363 | N | 28.9 | Very low | 32.5 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | cis | -123.8 | 166.5 | -2.1 | -111.7 | 61.6 | 0 | 0 | 0 | 107.1 | ||||
| 364 | D | 27.7 | Very low | 32.6 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 60% | 0.604 | 74% | 0.738 | S | S | * | * | cis | 88.5 | 67.8 | 20.1 | -50.8 | -49.2 | 0 | 0 | 0 | 117.6 | ||||
| 365 | K | 32.7 | Very low | 32.7 | Very low | 206 Ų | 206 | 127.6 Ų | 127.6 | 90% | 0.896 | 74% | 0.735 | S | S | * | * | trans | -161.2 | 169 | 138.3 | -126.6 | 69.7 | -178 | 179.8 | 0 | 114.1 | ||||
| 366 | S | 28.1 | Very low | 32 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | trans | -147.5 | 162.4 | -148.9 | 62.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 367 | S | 26.1 | Very low | 31.6 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | trans | 61.5 | 114.4 | 139.5 | 61.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 368 | S | 26.9 | Very low | 31.6 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | 173.3 | 163.5 | 116.6 | 44 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 369 | S | 28 | Very low | 30.5 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | -103.6 | 168.7 | 176.4 | -45.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 370 | P | 42.5 | Very low | 30.3 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | -116.8 | 159.4 | 68.3 | -1.6 | 25.3 | 0 | 0 | 0 | 113.4 | |||||
| 371 | I | 28.6 | Very low | 31.1 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 80% | 0.795 | 73% | 0.731 | S | S | * | * | 67.2 | 127.1 | 55.6 | -105.9 | 178 | 0 | 0 | 0 | 112 | |||||
| 372 | T | 33.6 | Very low | 31 | Very low | 106 Ų | 106 | 131 Ų | 131 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | cis | -131.5 | -164.6 | -2.8 | 36.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 373 | Q | 33.3 | Very low | 30.9 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 77% | 0.771 | 73% | 0.733 | S | S | * | * | cis | -170.7 | -177.3 | -9.8 | -114 | 153 | -28.3 | 0 | 0 | 105 | ||||
| 374 | V | 34.2 | Very low | 30.9 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | cis | -168.1 | 154.8 | -39.1 | 131.7 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 375 | K | 30.1 | Very low | 30.9 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 61% | 0.609 | 75% | 0.746 | S | S | * | * | cis | -136.2 | 140.3 | 26.9 | -163.2 | 163.2 | -167 | -51.7 | 0 | 107.7 | ||||
| 376 | E | 30.1 | Very low | 30.7 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | 56.4 | 144.3 | 84.1 | -118.6 | -176.3 | 107 | 0 | 0 | 113.2 | |||||
| 377 | E | 25.1 | Very low | 30.6 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | cis | -153.4 | 143 | 18.7 | -172.2 | -170.5 | 168.1 | 0 | 0 | 112.7 | ||||
| 378 | G | 27.4 | Very low | 31.3 | Very low | 67 Ų | 67 | 132.2 Ų | 132.2 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | trans | 61.8 | 163.6 | 137.1 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 379 | T | 29.4 | Very low | 31.3 | Very low | 136 Ų | 136 | 135 Ų | 135 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | cis | -156 | 157.5 | -24.5 | -53.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 380 | Q | 26.6 | Very low | 31.3 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | -71.2 | 174.1 | 167.1 | -115.2 | -165.5 | 35.6 | 0 | 0 | 111.8 | ||||
| 381 | P | 49.8 | Very low | 30.7 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | cis | -148.1 | -175.4 | 41.1 | 42.8 | -21.1 | 0 | 0 | 0 | 118.1 | ||||
| 382 | L | 31.2 | Very low | 30.5 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 71% | 0.707 | 74% | 0.74 | S | S | * | * | trans | -83.8 | 141.8 | 165.6 | -65.5 | 154.3 | 0 | 0 | 0 | 111.3 | ||||
| 383 | N | 29.1 | Very low | 30.1 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | 169 | 157.6 | 107.8 | -100.4 | -68.2 | 0 | 0 | 0 | 117.7 | |||||
| 384 | L | 28.8 | Very low | 29.8 | Very low | 156 Ų | 156 | 136 Ų | 136 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | trans | 67.6 | 113.4 | 149.7 | -71.8 | 167.2 | 0 | 0 | 0 | 123.1 | ||||
| 385 | S | 27 | Very low | 29.6 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | 90.7 | 106.5 | 118.2 | -166.1 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 386 | A | 28.8 | Very low | 29.7 | Very low | 90 Ų | 90 | 137.7 Ų | 137.7 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | trans | 68.5 | 131.4 | 134.1 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 387 | R | 27 | Very low | 30.6 | Very low | 237 Ų | 237 | 137.2 Ų | 137.2 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | trans | 16.4 | 151.6 | 130.8 | -105.6 | -172.9 | 176.3 | -168.7 | 1.1 | 119.7 | ||||
| 388 | P | 40.4 | Very low | 31 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | cis | -149.5 | -176.7 | 16 | 44.1 | -23.3 | 0 | 0 | 0 | 118.5 | ||||
| 389 | K | 27.2 | Very low | 31.2 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | trans | 38.3 | 122 | 138.1 | -76.5 | -171.6 | 172.7 | -170.7 | 0 | 123.5 | ||||
| 390 | T | 26.5 | Very low | 32.3 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | 69 | 137.7 | 125.6 | 64.4 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 391 | T | 29.5 | Very low | 32.8 | Very low | 117 Ų | 117 | 135 Ų | 135 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | 91.5 | 95 | 146 | -52.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 392 | E | 25.7 | Very low | 31.9 | Very low | 172 Ų | 172 | 134 Ų | 134 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | 56.5 | 143.2 | 128.8 | -58.8 | -161 | 135.8 | 0 | 0 | 126.5 | |||||
| 393 | M | 24.1 | Very low | 31.7 | Very low | 158 Ų | 158 | 134 Ų | 134 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | trans | 105.8 | 113.6 | 131.6 | -98.3 | -179.4 | 71.4 | 0 | 0 | 123.3 | ||||
| 394 | V | 28.4 | Very low | 31.6 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 62% | 0.624 | 76% | 0.759 | S | S | * | * | trans | 56.6 | 123.4 | 150.8 | -96.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 395 | K | 29 | Very low | 31.9 | Very low | 191 Ų | 191 | 136.4 Ų | 136.4 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | -171.1 | 172.3 | 66.2 | -108.3 | 134.9 | -171.8 | 178.8 | 0 | 114.5 | |||||
| 396 | S | 31.7 | Very low | 33 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -86.9 | 177.4 | -170.8 | -35 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 397 | P | 49.3 | Very low | 33 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | -140.2 | -151.6 | 93.1 | 38.3 | -21.3 | 0 | 0 | 0 | 115.5 | |||||
| 398 | T | 33.5 | Very low | 33.1 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | trans | -138.6 | 143.9 | -138.5 | 50.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 399 | S | 33.1 | Very low | 32.6 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 66.8 | 175.6 | 135.9 | -58.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 400 | P | 51.4 | Low | 32.6 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | cis | -140.3 | 171.2 | 4.6 | 42.5 | -23.9 | 0 | 0 | 0 | 119.9 | ||||
| 401 | T | 36.3 | Very low | 32.9 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | 65.3 | 140.8 | 155.1 | 29.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 402 | S | 32.1 | Very low | 34.2 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | cis | -156.8 | -164.3 | 9 | 55.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 403 | N | 26.2 | Very low | 34.3 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | cis | -161.6 | 172.8 | 9.9 | -143.1 | -2.5 | 0 | 0 | 0 | 115.3 | ||||
| 404 | L | 28.5 | Very low | 34.6 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | 31 | 118.6 | 155.6 | -70.8 | 170.1 | 0 | 0 | 0 | 124.5 | ||||
| 405 | F | 34.8 | Very low | 35 | Very low | 197 Ų | 197 | 128.4 Ų | 128.4 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | -85.6 | -168.7 | 146.8 | -85.4 | -81.6 | 0 | 0 | 0 | 110.3 | ||||
| 406 | P | 50 | Low | 35.2 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | cis | -136.7 | -166.7 | 9.4 | 43.3 | -22.5 | 0 | 0 | 0 | 114.8 | ||||
| 407 | G | 28.9 | Very low | 35.2 | Very low | 63 Ų | 63 | 124.9 Ų | 124.9 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | cis | 158.8 | 167.7 | -14.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 408 | S | 29.1 | Very low | 34.5 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 49.8 | 127.8 | 154.8 | 57.7 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 409 | K | 29.1 | Very low | 34.4 | Very low | 205 Ų | 205 | 127.7 Ų | 127.7 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | 162 | 145.2 | 142.9 | -87.2 | 146.7 | -164.7 | 169.9 | 0 | 107.7 | ||||
| 410 | S | 27.8 | Very low | 34.3 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | cis | 173.7 | 140.4 | -11.8 | 45.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 411 | S | 33.3 | Very low | 33.6 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -69.7 | -177.2 | 169.9 | -42.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 412 | P | 55.7 | Low | 34 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | -144.9 | 177.7 | 8 | 44.8 | -26 | 0 | 0 | 0 | 118.1 | ||||
| 413 | N | 28.2 | Very low | 34.1 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -179.7 | 140.2 | 131 | -92.8 | -18.5 | 0 | 0 | 0 | 108.9 | ||||
| 414 | S | 31.3 | Very low | 34.9 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | cis | 74.5 | 129.9 | 48.1 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 415 | L | 35.9 | Very low | 35.1 | Very low | 147 Ų | 147 | 129 Ų | 129 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | cis | -164 | 165.2 | 8.9 | -115.2 | 165.8 | 0 | 0 | 0 | 111 | ||||
| 416 | I | 33.2 | Very low | 34.8 | Very low | 164 Ų | 164 | 123.4 Ų | 123.4 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | 68.8 | 134.5 | 160.4 | -62.7 | 154.2 | 0 | 0 | 0 | 117.2 | ||||
| 417 | G | 31.3 | Very low | 34 | Very low | 62 Ų | 62 | 121.7 Ų | 121.7 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | cis | 158.6 | 162.8 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 418 | K | 34.7 | Very low | 34 | Very low | 224 Ų | 224 | 122.4 Ų | 122.4 | 97% | 0.974 | 80% | 0.801 | S | S | * | * | trans | 50.8 | 127.8 | 166.5 | -54.9 | 178.8 | -177.8 | 179.2 | 0 | 117.7 | ||||
| 419 | G | 32.2 | Very low | 34.3 | Very low | 82 Ų | 82 | 126.3 Ų | 126.3 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | cis | 155.1 | 170.1 | 2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 420 | G | 30.7 | Very low | 34.5 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | 120 | 140.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 421 | I | 37 | Very low | 35 | Very low | 166 Ų | 166 | 125.8 Ų | 125.8 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -123.1 | 157.8 | 168.2 | 19.8 | 175.1 | 0 | 0 | 0 | 106.2 | ||||
| 422 | P | 45.2 | Very low | 35 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | cis | -133.7 | -177.7 | 23.6 | 41.3 | -23.7 | 0 | 0 | 0 | 116.4 | ||||
| 423 | S | 32.7 | Very low | 34.3 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -56.9 | 168 | 163.1 | -28 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 424 | P | 44.5 | Very low | 34.6 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 72% | 0.721 | 82% | 0.823 | S | S | * | * | cis | -151.2 | -170.3 | 41.5 | 44.6 | -22.9 | 0 | 0 | 0 | 118.2 | ||||
| 425 | L | 31.3 | Very low | 34.7 | Very low | 175 Ų | 175 | 131.7 Ų | 131.7 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | 66.7 | 155.3 | 176.2 | -82.6 | 83.2 | 0 | 0 | 0 | 117.3 | ||||
| 426 | G | 29.9 | Very low | 34.7 | Very low | 79 Ų | 79 | 130.3 Ų | 130.3 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | 122.1 | 105.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 427 | G | 31.3 | Very low | 34.5 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 92% | 0.918 | 83% | 0.827 | S | S | * | * | trans | -86.4 | 145.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 428 | G | 30.9 | Very low | 34.9 | Very low | 78 Ų | 78 | 135.7 Ų | 135.7 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -168.3 | 90 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G430 | G428-G430 PolarHBondContact O-N 3.28Š| ||
| 429 | L | 34.5 | Very low | 34.7 | Very low | 194 Ų | 194 | 130.7 Ų | 130.7 | 100% | 1.016 | 83% | 0.829 | S | S | * | * | trans | -73.9 | 120.2 | 176.3 | -73.4 | 168.3 | 0 | 0 | 0 | 110.2 | ||||
| 430 | G | 33.7 | Very low | 35.2 | Very low | 67 Ų | 67 | 133.5 Ų | 133.5 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | trans | -149.6 | 96.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G428 | G428-G430 PolarHBondContact O-N 3.28Š| ||
| 431 | R | 38.2 | Very low | 35.4 | Very low | 235 Ų | 235 | 134.4 Ų | 134.4 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | trans | 66.6 | 106.9 | 171.6 | -52.2 | 171.5 | 68.6 | -163.1 | 1.7 | 115.8 | ||||
| 432 | D | 32.8 | Very low | 35.8 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 75% | 0.754 | 83% | 0.825 | S | S | * | * | -177.2 | 92.4 | 122.5 | -94 | -11.9 | 0 | 0 | 0 | 110.6 | |||||
| 433 | I | 40.3 | Very low | 35.7 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 82% | 0.821 | 83% | 0.831 | S | S | * | * | trans | -136.9 | 58.9 | 175.1 | -44.1 | -178.9 | 0 | 0 | 0 | 110 | ||||
| 434 | L | 34 | Very low | 36.5 | Very low | 185 Ų | 185 | 135.4 Ų | 135.4 | 97% | 0.969 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -136.3 | 15 | 168.5 | -75.4 | 179.8 | 0 | 0 | 0 | 113.1 | ||
| 435 | S | 35.4 | Very low | 37 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 68% | 0.678 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -126.8 | 12.4 | -171 | 49.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 436 | T | 34.5 | Very low | 38.3 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | trans | -141.7 | 50.5 | -173.7 | -35.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 437 | L | 30 | Very low | 40.3 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -122.2 | 35.1 | 167.8 | -73.4 | 178.1 | 0 | 0 | 0 | 112.3 | ||
| 438 | N | 38.9 | Very low | 42.4 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -143.5 | 63.4 | 177.7 | -151.6 | 1.6 | 0 | 0 | 0 | 112.2 | ||||
| 439 | S | 30.7 | Very low | 44.7 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -155.5 | 134.4 | 165.5 | -82.7 | 0 | 0 | 0 | 0 | 111.7 | A441 | S439-A441 PolarHBondContact O-N 3.32Š|
| 440 | T | 42.3 | Very low | 46.6 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | trans | -73.7 | 114.1 | -175.1 | -53.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 441 | A | 34.5 | Very low | 48.9 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | trans | -127.2 | 60.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S439 | S439-A441 PolarHBondContact O-N 3.32Š| ||
| 442 | L | 46.8 | Very low | 50.7 | Low | 147 Ų | 147 | 127 Ų | 127 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | -129.1 | 61.4 | -172.4 | -168.2 | 79.7 | 0 | 0 | 0 | 112.9 | ||||
| 443 | F | 43.3 | Very low | 53.1 | Low | 203 Ų | 203 | 124 Ų | 124 | 89% | 0.89 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -147.3 | -3.7 | 167.9 | -91.7 | -65.8 | 0 | 0 | 0 | 116.2 | ||
| 444 | G | 47.8 | Very low | 55 | Low | 64 Ų | 64 | 122.1 Ų | 122.1 | 66% | 0.66 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -84.8 | -37.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q446 | G444-Q446 PolarHBondContact O-N 2.59Š|
| 445 | D | 55.4 | Low | 57.6 | Low | 117 Ų | 117 | 119.3 Ų | 119.3 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -82.4 | -8.8 | -164.6 | -86.8 | -33.5 | 0 | 0 | 0 | 116.2 | D447 T448 V449 | D445-D447 VanDerWaalsContact C-N 3.35Å; D445-D447 PolarHBondContact O-N 2.82Å; D445-T448 PolarHBondContact O-N 3.31Å; D445-V449 WeakPolarHBondContact O-CB 3.23Å; D445-V449 WeakPolarHBondContact O-CG2 3.34Å; D445-V449 PolarHBondContact O-N 3.46Å |
| 446 | Q | 59.6 | Low | 59.7 | Low | 145 Ų | 145 | 117 Ų | 117 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63.7 | -40.5 | -173.6 | -170.3 | 166.1 | 30.8 | 0 | 0 | 112.3 | G444 M450 | G444-Q446 PolarHBondContact O-N 2.59Å; Q446-M450 WeakPolarHBondContact O-CB 3.24Å; Q446-M450 PolarHBondContact O-N 3.29Å |
| 447 | D | 71.9 | Confident | 61.9 | Low | 123 Ų | 123 | 118.9 Ų | 118.9 | 66% | 0.658 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72.8 | -37.3 | 175.6 | -75.9 | -40.2 | 0 | 0 | 0 | 112.3 | D445 V449 M450 K451 | D445-D447 VanDerWaalsContact C-N 3.35Å; D445-D447 PolarHBondContact O-N 2.82Å; D447-V449 PolarHBondContact O-N 2.88Å; D447-M450 PolarHBondContact O-N 2.77Å; D447-K451 WeakPolarHBondContact O-CB 3.48Å; D447-K451 PolarHBondContact O-N 3.43Å |
| 448 | T | 74.9 | Confident | 64.6 | Low | 86 Ų | 86 | 117.6 Ų | 117.6 | 53% | 0.528 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -58.3 | -48.6 | 174 | -49.3 | 0 | 0 | 0 | 0 | 110.9 | D445 K451 A452 | D445-T448 PolarHBondContact O-N 3.31Å; T448-K451 PolarHBondContact O-N 3.19Å; T448-A452 WeakPolarHBondContact O-CB 3.19Å; T448-A452 PolarHBondContact O-N 3.17Å |
| 449 | V | 78.3 | Confident | 66.8 | Low | 79 Ų | 79 | 115.2 Ų | 115.2 | 48% | 0.479 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.1 | -40.4 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | D445 D447 A452 I453 | D445-V449 WeakPolarHBondContact O-CB 3.23Å; D445-V449 WeakPolarHBondContact O-CG2 3.34Å; D445-V449 PolarHBondContact O-N 3.46Å; D447-V449 PolarHBondContact O-N 2.88Å; V449-A452 PolarHBondContact O-N 3.18Å; V449-I453 HydrophobicContact CG1-CD1 3.69Å; V449-I453 HydrophobicContact CG1-CG1 4.45Å; V449-I453 WeakPolarHBondContact O-CB 3.47Å; V449-I453 VanDerWaalsContact O-CG1 3.24Å; V449-I453 WeakPolarHBondContact O-CG1 3.21Å; V449-I453 PolarHBondContact O-N 3.42Å |
| 450 | M | 76.3 | Confident | 69 | Low | 93 Ų | 93 | 118.1 Ų | 118.1 | 46% | 0.458 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66 | -39.9 | 177.9 | -156.8 | -178 | -44.5 | 0 | 0 | 112.2 | Q446 D447 I453 Q454 | Q446-M450 WeakPolarHBondContact O-CB 3.24Å; Q446-M450 PolarHBondContact O-N 3.29Å; D447-M450 PolarHBondContact O-N 2.77Å; M450-I453 PolarHBondContact O-N 3.22Å; M450-Q454 WeakPolarHBondContact O-CG 3.16Å; M450-Q454 PolarHBondContact O-N 3.16Å |
| 451 | K | 80.8 | Confident | 71 | Confident | 156 Ų | 156 | 117 Ų | 117 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.1 | -50.7 | 172.4 | -115.9 | 179.4 | 177.8 | 178.3 | 0 | 111.5 | D447 T448 I453 Q454 E455 | D447-K451 WeakPolarHBondContact O-CB 3.48Å; D447-K451 PolarHBondContact O-N 3.43Å; T448-K451 PolarHBondContact O-N 3.19Å; K451-I453 VanDerWaalsContact C-N 3.26Å; K451-I453 PolarHBondContact O-N 3.24Å; K451-Q454 PolarHBondContact O-N 2.98Å; K451-E455 WeakPolarHBondContact O-CB 3.5Å; K451-E455 PolarHBondContact O-N 3.02Å |
| 452 | A | 76.5 | Confident | 73.2 | Confident | 51 Ų | 51 | 117.2 Ų | 117.2 | 42% | 0.421 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.2 | -37.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | T448 V449 E455 A456 | T448-A452 WeakPolarHBondContact O-CB 3.19Å; T448-A452 PolarHBondContact O-N 3.17Å; V449-A452 PolarHBondContact O-N 3.18Å; A452-E455 PolarHBondContact O-N 2.7Å; A452-A456 VanDerWaalsContact O-CB 3.22Å; A452-A456 WeakPolarHBondContact O-CB 3.34Å; A452-A456 PolarHBondContact O-N 3.04Å |
| 453 | I | 83.4 | Confident | 74.8 | Confident | 80 Ų | 80 | 114.4 Ų | 114.4 | 41% | 0.41 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.6 | -28.7 | 175.5 | -74.1 | 170.3 | 0 | 0 | 0 | 112.9 | V449 M450 K451 R457 | V449-I453 HydrophobicContact CG1-CD1 3.69Å; V449-I453 HydrophobicContact CG1-CG1 4.45Å; V449-I453 WeakPolarHBondContact O-CB 3.47Å; V449-I453 VanDerWaalsContact O-CG1 3.24Å; V449-I453 WeakPolarHBondContact O-CG1 3.21Å; V449-I453 PolarHBondContact O-N 3.42Å; M450-I453 PolarHBondContact O-N 3.22Å; K451-I453 VanDerWaalsContact C-N 3.26Å; K451-I453 PolarHBondContact O-N 3.24Å; I453-R457 VanDerWaalsContact CG2-NH2 3.31Å; I453-R457 PolarHBondContact O-N 3.34Å; I453-R457 PolarHBondContact O-NE 3.07Å |
| 454 | Q | 80.7 | Confident | 76.5 | Confident | 120 Ų | 120 | 110.9 Ų | 110.9 | 56% | 0.561 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -76.9 | -42.5 | 171.5 | -74.1 | -178.1 | -2.7 | 0 | 0 | 111.5 | M450 K451 R457 K458 | M450-Q454 WeakPolarHBondContact O-CG 3.16Å; M450-Q454 PolarHBondContact O-N 3.16Å; K451-Q454 PolarHBondContact O-N 2.98Å; Q454-R457 WeakPolarHBondContact O-CB 3.23Å; Q454-R457 PolarHBondContact O-N 2.89Å; Q454-R457 VanDerWaalsContact O-N 3.12Å; Q454-K458 PolarHBondContact O-N 3.24Å |
| 455 | E | 88.1 | Confident | 77.7 | Confident | 125 Ų | 125 | 116.4 Ų | 116.4 | 58% | 0.584 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.3 | -45 | 177.4 | -177.9 | 166.3 | -138.3 | 0 | 0 | 112.1 | K451 A452 R457 K458 M459 | K451-E455 WeakPolarHBondContact O-CB 3.5Å; K451-E455 PolarHBondContact O-N 3.02Å; A452-E455 PolarHBondContact O-N 2.7Å; E455-R457 PolarHBondContact O-N 2.76Å; E455-K458 WeakPolarHBondContact O-CB 3.45Å; E455-K458 PolarHBondContact O-N 3.31Å; E455-K458 VanDerWaalsContact O-N 3.09Å; E455-M459 HydrophobicContact CG-CE 4.31Å; E455-M459 PolarHBondContact O-N 2.92Å |
| 456 | A | 79 | Confident | 78.6 | Confident | 49 Ų | 49 | 115 Ų | 115 | 41% | 0.405 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64 | -22.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A452 R460 | A452-A456 VanDerWaalsContact O-CB 3.22Å; A452-A456 WeakPolarHBondContact O-CB 3.34Å; A452-A456 PolarHBondContact O-N 3.04Å; A456-R460 WeakPolarHBondContact O-CB 3.45Å; A456-R460 PolarHBondContact O-N 3.43Å |
| 457 | R | 81 | Confident | 78.9 | Confident | 156 Ų | 156 | 114.4 Ų | 114.4 | 59% | 0.589 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -78.2 | -45.2 | 168.4 | -83.4 | -173.8 | -99.3 | -165 | -5.5 | 111.5 | I453 Q454 E455 M459 R460 E461 | I453-R457 VanDerWaalsContact CG2-NH2 3.31Å; I453-R457 PolarHBondContact O-N 3.34Å; I453-R457 PolarHBondContact O-NE 3.07Å; Q454-R457 WeakPolarHBondContact O-CB 3.23Å; Q454-R457 PolarHBondContact O-N 2.89Å; Q454-R457 VanDerWaalsContact O-N 3.12Å; E455-R457 PolarHBondContact O-N 2.76Å; R457-M459 PolarHBondContact O-N 3.47Å; R457-R460 WeakPolarHBondContact O-CB 3.47Å; R457-R460 PolarHBondContact O-N 2.97Å; R457-R460 VanDerWaalsContact O-N 3.08Å; R457-E461 PolarHBondContact O-N 3.43Å |
| 458 | K | 87.4 | Confident | 78.5 | Confident | 157 Ų | 157 | 114.5 Ų | 114.5 | 68% | 0.683 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.4 | -45.9 | 177.3 | -170.2 | -176.7 | 177.1 | -170.6 | 0 | 112.2 | Q454 E455 R460 E461 Q462 | Q454-K458 PolarHBondContact O-N 3.24Å; E455-K458 WeakPolarHBondContact O-CB 3.45Å; E455-K458 PolarHBondContact O-N 3.31Å; E455-K458 VanDerWaalsContact O-N 3.09Å; K458-R460 VanDerWaalsContact C-N 3.33Å; K458-R460 PolarHBondContact O-N 3.06Å; K458-E461 PolarHBondContact O-N 2.97Å; K458-Q462 PolarHBondContact O-N 3.27Å |
| 459 | M | 83.2 | Confident | 77.7 | Confident | 107 Ų | 107 | 116.9 Ų | 116.9 | 53% | 0.527 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.4 | -38.6 | 173.5 | -81.5 | -164.1 | -82.1 | 0 | 0 | 112.6 | E455 R457 Q462 I463 | E455-M459 HydrophobicContact CG-CE 4.31Å; E455-M459 PolarHBondContact O-N 2.92Å; R457-M459 PolarHBondContact O-N 3.47Å; M459-Q462 PolarHBondContact O-N 3.09Å; M459-I463 WeakPolarHBondContact O-CG1 3.36Å; M459-I463 PolarHBondContact O-N 3.31Å |
| 460 | R | 77.1 | Confident | 76.7 | Confident | 178 Ų | 178 | 119.8 Ų | 119.8 | 67% | 0.672 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.6 | -40.1 | 178.4 | -170.3 | -178.3 | -59.9 | -93.4 | -2.3 | 112 | A456 R457 K458 Q464 | A456-R460 WeakPolarHBondContact O-CB 3.45Å; A456-R460 PolarHBondContact O-N 3.43Å; R457-R460 WeakPolarHBondContact O-CB 3.47Å; R457-R460 PolarHBondContact O-N 2.97Å; R457-R460 VanDerWaalsContact O-N 3.08Å; K458-R460 VanDerWaalsContact C-N 3.33Å; K458-R460 PolarHBondContact O-N 3.06Å; R460-Q464 WeakPolarHBondContact O-CB 3.49Å; R460-Q464 PolarHBondContact O-N 2.85Å; R460-Q464 VanDerWaalsContact O-N 3.11Å |
| 461 | E | 84.3 | Confident | 75.3 | Confident | 118 Ų | 118 | 122.1 Ų | 122.1 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67 | -38.6 | 173.2 | -71.6 | -175.4 | -170.2 | 0 | 0 | 112.4 | R457 K458 Q464 R465 | R457-E461 PolarHBondContact O-N 3.43Å; K458-E461 PolarHBondContact O-N 2.97Å; E461-Q464 PolarHBondContact O-N 2.86Å; E461-R465 WeakPolarHBondContact O-CG 3.5Å; E461-R465 PolarHBondContact O-N 3.36Å |
| 462 | Q | 82.4 | Confident | 73.7 | Confident | 107 Ų | 107 | 119.7 Ų | 119.7 | 50% | 0.5 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.5 | -52.9 | 175.5 | 179.2 | 175.7 | -24.8 | 0 | 0 | 111.6 | K458 M459 Q464 R465 E466 | K458-Q462 PolarHBondContact O-N 3.27Å; M459-Q462 PolarHBondContact O-N 3.09Å; Q462-Q464 PolarHBondContact O-N 2.97Å; Q462-R465 WeakPolarHBondContact O-CA 3.45Å; Q462-R465 WeakPolarHBondContact O-CB 3.17Å; Q462-R465 PolarHBondContact O-N 3.36Å; Q462-E466 WeakPolarHBondContact CG-OE1 3.49Å; Q462-E466 PolarHBondContact NE2-OE1 2.98Å; Q462-E466 PolarHBondContact O-N 3.35Å |
| 463 | I | 79.6 | Confident | 72.1 | Confident | 88 Ų | 88 | 123.1 Ų | 123.1 | 45% | 0.451 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.3 | -33.4 | 177.6 | -67.6 | 166 | 0 | 0 | 0 | 111.1 | M459 Q467 | M459-I463 WeakPolarHBondContact O-CG1 3.36Å; M459-I463 PolarHBondContact O-N 3.31Å; I463-Q467 WeakPolarHBondContact O-CG 3.44Å; I463-Q467 PolarHBondContact O-N 2.77Å |
| 464 | Q | 78.6 | Confident | 70.2 | Confident | 129 Ų | 129 | 121.2 Ų | 121.2 | 60% | 0.603 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -75.5 | -27.3 | 176.8 | -168.7 | 157.7 | -3.3 | 0 | 0 | 113.4 | R460 E461 Q462 L468 | R460-Q464 WeakPolarHBondContact O-CB 3.49Å; R460-Q464 PolarHBondContact O-N 2.85Å; R460-Q464 VanDerWaalsContact O-N 3.11Å; E461-Q464 PolarHBondContact O-N 2.86Å; Q462-Q464 PolarHBondContact O-N 2.97Å; Q464-L468 PolarHBondContact O-N 3.47Å |
| 465 | R | 74.2 | Confident | 68.7 | Low | 181 Ų | 181 | 119.5 Ų | 119.5 | 68% | 0.683 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -72.1 | -42.1 | 168.4 | -70.1 | 179.5 | -170.3 | -170.2 | 4.8 | 111.8 | E461 Q462 L468 Q469 | E461-R465 WeakPolarHBondContact O-CG 3.5Å; E461-R465 PolarHBondContact O-N 3.36Å; Q462-R465 WeakPolarHBondContact O-CA 3.45Å; Q462-R465 WeakPolarHBondContact O-CB 3.17Å; Q462-R465 PolarHBondContact O-N 3.36Å; R465-L468 WeakPolarHBondContact O-CB 3.25Å; R465-L468 PolarHBondContact O-N 2.88Å; R465-L468 VanDerWaalsContact O-N 3.13Å; R465-Q469 PolarHBondContact O-N 3.19Å |
| 466 | E | 72.8 | Confident | 66.4 | Low | 86 Ų | 86 | 117 Ų | 117 | 40% | 0.402 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.1 | -42.4 | 176.5 | -71.6 | 165.1 | -178.2 | 0 | 0 | 111.4 | Q462 L468 Q469 H470 | Q462-E466 WeakPolarHBondContact CG-OE1 3.49Å; Q462-E466 PolarHBondContact NE2-OE1 2.98Å; Q462-E466 PolarHBondContact O-N 3.35Å; E466-L468 VanDerWaalsContact C-N 3.32Å; E466-L468 PolarHBondContact O-N 3.47Å; E466-Q469 PolarHBondContact O-N 2.81Å; E466-H470 PolarHBondContact O-N 3.47Å |
| 467 | Q | 67.3 | Low | 64.7 | Low | 133 Ų | 133 | 117.7 Ų | 117.7 | 62% | 0.621 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.6 | -33.2 | 172.5 | -76.7 | -177.2 | 46.1 | 0 | 0 | 113.3 | I463 H471 | I463-Q467 WeakPolarHBondContact O-CG 3.44Å; I463-Q467 PolarHBondContact O-N 2.77Å; Q467-H471 PolarHBondContact O-N 3.23Å; Q467-H471 VanDerWaalsContact O-N 3.09Å |
| 468 | L | 63.4 | Low | 62.8 | Low | 126 Ų | 126 | 118.1 Ų | 118.1 | 66% | 0.66 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.6 | -42.6 | 173.8 | -114.7 | 69.6 | 0 | 0 | 0 | 112 | Q464 R465 E466 H471 Q472 | Q464-L468 PolarHBondContact O-N 3.47Å; R465-L468 WeakPolarHBondContact O-CB 3.25Å; R465-L468 PolarHBondContact O-N 2.88Å; R465-L468 VanDerWaalsContact O-N 3.13Å; E466-L468 VanDerWaalsContact C-N 3.32Å; E466-L468 PolarHBondContact O-N 3.47Å; L468-H471 PolarHBondContact O-N 2.92Å; L468-Q472 PolarHBondContact O-N 3.2Å |
| 469 | Q | 57.3 | Low | 60.5 | Low | 135 Ų | 135 | 116.8 Ų | 116.8 | 63% | 0.631 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.9 | -43.7 | 174.7 | -79.3 | -171.2 | -21.2 | 0 | 0 | 112.1 | R465 E466 H471 Q472 Q473 | R465-Q469 PolarHBondContact O-N 3.19Å; E466-Q469 PolarHBondContact O-N 2.81Å; Q469-H471 VanDerWaalsContact C-N 3.27Å; Q469-H471 PolarHBondContact O-N 2.88Å; Q469-Q472 PolarHBondContact O-N 3.39Å; Q469-Q473 PolarHBondContact O-N 3.48Å |
| 470 | H | 56.6 | Low | 58.3 | Low | 141 Ų | 141 | 115.6 Ų | 115.6 | 65% | 0.653 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.5 | -32.2 | 175.7 | -98.4 | -65.2 | 0 | 0 | 0 | 113.2 | E466 G474 | E466-H470 PolarHBondContact O-N 3.47Å; H470-G474 PolarHBondContact O-N 2.89Å; H470-G474 VanDerWaalsContact O-N 3.17Å |
| 471 | H | 48.7 | Very low | 56.6 | Low | 141 Ų | 141 | 110.9 Ų | 110.9 | 65% | 0.653 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.6 | -39.9 | 175.1 | -166.4 | 62.2 | 0 | 0 | 0 | 112.2 | Q467 L468 Q469 I475 | Q467-H471 PolarHBondContact O-N 3.23Å; Q467-H471 VanDerWaalsContact O-N 3.09Å; L468-H471 PolarHBondContact O-N 2.92Å; Q469-H471 VanDerWaalsContact C-N 3.27Å; Q469-H471 PolarHBondContact O-N 2.88Å; H471-I475 WeakPolarHBondContact O-CG1 3.15Å |
| 472 | Q | 46.5 | Very low | 54.3 | Low | 105 Ų | 105 | 113 Ų | 113 | 49% | 0.491 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.4 | -52.7 | 177.8 | -169.8 | 60 | 56.9 | 0 | 0 | 111.6 | L468 Q469 G474 I475 D476 | L468-Q472 PolarHBondContact O-N 3.2Å; Q469-Q472 PolarHBondContact O-N 3.39Å; Q472-G474 PolarHBondContact O-N 3.22Å; Q472-I475 WeakPolarHBondContact O-CB 3.43Å; Q472-I475 PolarHBondContact O-N 3.48Å; Q472-D476 WeakPolarHBondContact CG-OD2 3.34Å; Q472-D476 PolarHBondContact NE2-OD2 2.94Å; Q472-D476 PolarHBondContact O-N 3.12Å |
| 473 | Q | 43.6 | Very low | 52.1 | Low | 123 Ų | 123 | 112.8 Ų | 112.8 | 58% | 0.575 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.2 | -32.5 | -179.6 | -71.2 | -177.2 | -9.8 | 0 | 0 | 113.1 | Q469 I475 A477 | Q469-Q473 PolarHBondContact O-N 3.48Å; Q473-I475 PolarHBondContact O-N 3.21Å; Q473-A477 WeakPolarHBondContact O-CB 3.29Å; Q473-A477 PolarHBondContact O-N 3.22Å; Q473-A477 VanDerWaalsContact O-N 3.08Å |
| 474 | G | 42.4 | Very low | 49.8 | Very low | 41 Ų | 41 | 113.6 Ų | 113.6 | 42% | 0.423 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.4 | -12.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | H470 Q472 | H470-G474 PolarHBondContact O-N 2.89Å; H470-G474 VanDerWaalsContact O-N 3.17Å; Q472-G474 PolarHBondContact O-N 3.22Å |
| 475 | I | 48.4 | Very low | 47.7 | Very low | 83 Ų | 83 | 115 Ų | 115 | 43% | 0.426 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -96.4 | -53.5 | 175.4 | -59 | 166.5 | 0 | 0 | 0 | 109.3 | H471 Q472 Q473 A477 K478 | H471-I475 WeakPolarHBondContact O-CG1 3.15Å; Q472-I475 WeakPolarHBondContact O-CB 3.43Å; Q472-I475 PolarHBondContact O-N 3.48Å; Q473-I475 PolarHBondContact O-N 3.21Å; I475-A477 PolarHBondContact O-N 3.43Å; I475-K478 PolarHBondContact O-N 3.35Å; I475-K478 VanDerWaalsContact O-N 3.16Å |
| 476 | D | 39.8 | Very low | 45.5 | Very low | 73 Ų | 73 | 109.5 Ų | 109.5 | 39% | 0.39 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.9 | -38.1 | -173.2 | -59.8 | -49.7 | 0 | 0 | 0 | 112.7 | Q472 K478 L479 S480 | Q472-D476 WeakPolarHBondContact CG-OD2 3.34Å; Q472-D476 PolarHBondContact NE2-OD2 2.94Å; Q472-D476 PolarHBondContact O-N 3.12Å; D476-K478 PolarHBondContact O-N 3.04Å; D476-K478 VanDerWaalsContact O-N 3.09Å; D476-L479 PolarHBondContact O-N 3.47Å; D476-S480 PolarHBondContact O-N 2.96Å; D476-S480 PolarHBondContact O-OG 3.39Å |
| 477 | A | 44.5 | Very low | 43.6 | Very low | 64 Ų | 64 | 112.6 Ų | 112.6 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -60.8 | -21.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q473 I475 A481 | Q473-A477 WeakPolarHBondContact O-CB 3.29Å; Q473-A477 PolarHBondContact O-N 3.22Å; Q473-A477 VanDerWaalsContact O-N 3.08Å; I475-A477 PolarHBondContact O-N 3.43Å; A477-A481 WeakPolarHBondContact O-CB 3.43Å |
| 478 | K | 40.3 | Very low | 41.9 | Very low | 164 Ų | 164 | 112.5 Ų | 112.5 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -85.4 | -11.6 | 176.5 | -68.1 | -172.2 | 175.8 | -175.4 | 0 | 114 | I475 D476 | I475-K478 PolarHBondContact O-N 3.35Å; I475-K478 VanDerWaalsContact O-N 3.16Å; D476-K478 PolarHBondContact O-N 3.04Å; D476-K478 VanDerWaalsContact O-N 3.09Å |
| 479 | L | 38.8 | Very low | 40.3 | Very low | 129 Ų | 129 | 114.2 Ų | 114.2 | 68% | 0.675 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -100.2 | -37.2 | 175.1 | -65.2 | 174.2 | 0 | 0 | 0 | 111.4 | D476 A481 | D476-L479 PolarHBondContact O-N 3.47Å; L479-A481 VanDerWaalsContact C-N 3.34Å; L479-A481 PolarHBondContact O-N 2.97Å |
| 480 | S | 38.3 | Very low | 38.8 | Very low | 82 Ų | 82 | 112.3 Ų | 112.3 | 57% | 0.573 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.1 | -30.3 | 177.6 | -55.5 | 0 | 0 | 0 | 0 | 114 | D476 L482 S483 | D476-S480 PolarHBondContact O-N 2.96Å; D476-S480 PolarHBondContact O-OG 3.39Å; S480-L482 PolarHBondContact O-N 3.17Å; S480-S483 PolarHBondContact O-N 3.07Å |
| 481 | A | 40.5 | Very low | 37.6 | Very low | 80 Ų | 80 | 116.1 Ų | 116.1 | 66% | 0.661 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116 | A477 L479 | A477-A481 WeakPolarHBondContact O-CB 3.43Å; L479-A481 VanDerWaalsContact C-N 3.34Å; L479-A481 PolarHBondContact O-N 2.97Å |
| 482 | L | 36.6 | Very low | 36.7 | Very low | 162 Ų | 162 | 115.4 Ų | 115.4 | 85% | 0.848 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 6.2 | -178.8 | -68.6 | 174.4 | 0 | 0 | 0 | 114 | S480 | S480-L482 PolarHBondContact O-N 3.17Š|
| 483 | S | 36.4 | Very low | 35.9 | Very low | 103 Ų | 103 | 116.8 Ų | 116.8 | 72% | 0.72 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -118.4 | -2.1 | -165.1 | -164.1 | 0 | 0 | 0 | 0 | 116.9 | S480 | S480-S483 PolarHBondContact O-N 3.07Š|
| 484 | S | 31.5 | Very low | 35.4 | Very low | 104 Ų | 104 | 118.7 Ų | 118.7 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | trans | -151.9 | 77.6 | -172.4 | 64.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 485 | V | 34.1 | Very low | 34.9 | Very low | 158 Ų | 158 | 121.7 Ų | 121.7 | 96% | 0.958 | 68% | 0.681 | S | S | * | * | trans | -138.6 | 112.7 | 149.2 | -176.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 486 | G | 28.2 | Very low | 34.2 | Very low | 66 Ų | 66 | 127.2 Ų | 127.2 | 68% | 0.68 | 70% | 0.696 | S | S | * | * | trans | 178.2 | 90 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 487 | L | 32.7 | Very low | 33.9 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 80% | 0.796 | 71% | 0.714 | S | S | * | * | trans | 61.2 | 122.8 | 164.2 | -57.4 | 165 | 0 | 0 | 0 | 115.8 | ||||
| 488 | N | 30.4 | Very low | 33.1 | Very low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | -166.2 | 155.9 | 65.2 | -90.1 | -79.9 | 0 | 0 | 0 | 113.8 | |||||
| 489 | H | 31.1 | Very low | 32.5 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | trans | 13.1 | 147.3 | 142.7 | -57.4 | 97.8 | 0 | 0 | 0 | 121 | ||||
| 490 | C | 25.7 | Very low | 31.9 | Very low | 95 Ų | 95 | 133.5 Ų | 133.5 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | cis | -168.7 | 155.4 | 21.9 | -139.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 491 | R | 30.2 | Very low | 31.5 | Very low | 222 Ų | 222 | 135.3 Ų | 135.3 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | trans | 66.5 | 155.1 | 158.5 | -63.8 | 165.3 | -178.4 | -88.4 | -0.8 | 117 | ||||
| 492 | V | 29.8 | Very low | 31.1 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 76% | 0.758 | 73% | 0.732 | S | S | * | * | cis | -129.7 | 163.9 | 15.1 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 493 | D | 30.3 | Very low | 30.8 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | -23.8 | 155.4 | 164.9 | -61.9 | -107.9 | 0 | 0 | 0 | 118.1 | ||||
| 494 | K | 32.5 | Very low | 30.5 | Very low | 162 Ų | 162 | 136 Ų | 136 | 70% | 0.704 | 73% | 0.726 | S | S | * | * | cis | -160.7 | 178.5 | 25.3 | -133.2 | 174.1 | -177.8 | -139.6 | 0 | 107.8 | ||||
| 495 | E | 32.3 | Very low | 30.3 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 49% | 0.486 | 73% | 0.729 | S | S | . | * | cis | -142.3 | 153.9 | 1.9 | -98.1 | -63.6 | -172.3 | 0 | 0 | 105.7 | ||||
| 496 | R | 33.1 | Very low | 30 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 75% | 0.751 | 73% | 0.725 | S | S | * | * | 39.7 | 113.7 | 95.9 | -163.2 | -169.4 | -50.3 | -99.1 | -2 | 114.2 | |||||
| 497 | V | 34 | Very low | 29.9 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | cis | -139.3 | 179.7 | 15.3 | -111.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 498 | H | 28.4 | Very low | 29.8 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 80% | 0.801 | 74% | 0.736 | S | S | * | * | cis | -131.6 | -139.8 | 18 | -163.1 | -107.2 | 0 | 0 | 0 | 113.2 | ||||
| 499 | F | 27.6 | Very low | 29.7 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -152.2 | 138.6 | -159.2 | -158.7 | -109.1 | 0 | 0 | 0 | 112 | ||||
| 500 | D | 27 | Very low | 29.6 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 54% | 0.535 | 74% | 0.744 | S | S | . | * | trans | 35 | 133.5 | 157.8 | -72.6 | -123.3 | 0 | 0 | 0 | 125.3 | ||||
| 501 | S | 28.2 | Very low | 29.7 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | -141.6 | 121.4 | 109.5 | -171.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 502 | I | 33.6 | Very low | 29.8 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | -63.4 | 154.9 | 164.7 | -65.2 | 161.8 | 0 | 0 | 0 | 109.2 | ||||
| 503 | G | 30.1 | Very low | 30 | Very low | 62 Ų | 62 | 139.5 Ų | 139.5 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | cis | 133.5 | 68.9 | -0.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 504 | H | 29.9 | Very low | 30.2 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | -151 | 148.3 | -179.7 | -77.5 | -76.6 | 0 | 0 | 0 | 109.6 | ||||
| 505 | H | 27.4 | Very low | 30.2 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | cis | -160.4 | 157.2 | -3.3 | 48.7 | -85.5 | 0 | 0 | 0 | 113.4 | ||||
| 506 | L | 27.2 | Very low | 30 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | -23.3 | 142.1 | 159.5 | -178 | 70.7 | 0 | 0 | 0 | 119.1 | ||||
| 507 | G | 26.3 | Very low | 29.8 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | -179.6 | 124.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 508 | K | 30.4 | Very low | 29.6 | Very low | 210 Ų | 210 | 141.7 Ų | 141.7 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | trans | -146.3 | 121.6 | -173.4 | -168.4 | -167.7 | -173.2 | -171 | 0 | 112.7 | ||||
| 509 | L | 28.1 | Very low | 29.8 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | trans | -174.7 | 142.1 | 160.8 | -100.5 | 145.4 | 0 | 0 | 0 | 106.7 | ||||
| 510 | G | 28.8 | Very low | 30.5 | Very low | 70 Ų | 70 | 138.6 Ų | 138.6 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | 102.9 | 136.6 | 70.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 511 | E | 29.3 | Very low | 30.5 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | cis | -152.6 | 176.8 | 1.2 | -165.1 | 171.7 | 124.5 | 0 | 0 | 109.4 | ||||
| 512 | E | 32.3 | Very low | 31.2 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -67.2 | 142.5 | 175.8 | -79 | -116.8 | 135.3 | 0 | 0 | 113.7 | K514 | E512-K514 VanDerWaalsContact OE2-CE 3.27Å; E512-K514 WeakPolarHBondContact OE2-CE 3.38Å; E512-K514 IonicContact OE2-NZ 2.67Å; E512-K514 PolarHBondContact OE2-NZ 2.7Å | ||
| 513 | G | 32.3 | Very low | 31.1 | Very low | 78 Ų | 78 | 142.3 Ų | 142.3 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -152.7 | 128.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 514 | K | 35 | Very low | 31.4 | Very low | 163 Ų | 163 | 148.6 Ų | 148.6 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | trans | -113.5 | 169.7 | -167.6 | -68.9 | 175.8 | 174.4 | 110.1 | 0 | 112.9 | E512 | E512-K514 VanDerWaalsContact OE2-CE 3.27Å; E512-K514 WeakPolarHBondContact OE2-CE 3.38Å; E512-K514 IonicContact OE2-NZ 2.67Å; E512-K514 PolarHBondContact OE2-NZ 2.7Å | ||
| 515 | I | 32.3 | Very low | 32.3 | Very low | 173 Ų | 173 | 145.6 Ų | 145.6 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | 58.3 | 106.4 | 156.8 | 54.1 | 168.7 | 0 | 0 | 0 | 120.8 | ||||
| 516 | G | 29.2 | Very low | 32.7 | Very low | 69 Ų | 69 | 143.2 Ų | 143.2 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | 119.7 | 122.3 | 103.9 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 517 | H | 28.3 | Very low | 33.1 | Very low | 166 Ų | 166 | 142 Ų | 142 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | 8.6 | 130.7 | 130 | -95.2 | 124.3 | 0 | 0 | 0 | 116.2 | |||||
| 518 | R | 29.4 | Very low | 33.8 | Very low | 203 Ų | 203 | 147.3 Ų | 147.3 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | 171.1 | 154.7 | 55 | 48.1 | -145.4 | 164.9 | -98.2 | 9 | 114 | |||||
| 519 | V | 34 | Very low | 34.1 | Very low | 120 Ų | 120 | 145 Ų | 145 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 57.8 | 133.1 | 152.6 | -66.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 520 | I | 40.8 | Very low | 34.1 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | 26.1 | 141.7 | 129.1 | -8.9 | 145 | 0 | 0 | 0 | 117.6 | |||||
| 521 | D | 26.8 | Very low | 34.1 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | cis | -161.2 | -177.8 | 37.7 | -151.5 | -11 | 0 | 0 | 0 | 115.7 | ||||
| 522 | L | 43.6 | Very low | 34.2 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -76.9 | 162.1 | -173.9 | -64.5 | 153.7 | 0 | 0 | 0 | 115.8 | ||||
| 523 | T | 32.7 | Very low | 34.1 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | 178.8 | 114.7 | 128.7 | -74.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 524 | R | 36.4 | Very low | 34 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | trans | 31.7 | 174.9 | 150.1 | -95 | -169.9 | 161.1 | 175.8 | -9.2 | 122.4 | E526 | R524-E526 HydrophobicContact CG-CG 4.28Å; R524-E526 VanDerWaalsContact CZ-CD 3.41Å; R524-E526 IonicContact CZ-OE1 3.43Å; R524-E526 VanDerWaalsContact CZ-OE1 3.26Å; R524-E526 IonicContact CZ-OE2 3.57Å; R524-E526 IonicContact NE-OE1 3.4Å; R524-E526 PolarHBondContact NE-OE1 2.91Å; R524-E526 IonicContact NE-OE2 3.54Å; R524-E526 IonicContact NH2-OE1 2.68Å; R524-E526 PolarHBondContact NH2-OE1 3.05Å; R524-E526 IonicContact NH2-OE2 2.76Å; R524-E526 PolarHBondContact NH2-OE2 3.4Å | ||
| 525 | P | 48.1 | Very low | 34 | Very low | 111 Ų | 111 | 134 Ų | 134 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | cis | -119.2 | 145.5 | -7 | 24.8 | -2.2 | 0 | 0 | 0 | 115 | ||||
| 526 | E | 36.2 | Very low | 34 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 56% | 0.556 | 78% | 0.782 | S | S | * | * | 93.4 | 154.3 | 81.8 | -58.7 | -79.1 | 115.5 | 0 | 0 | 115.2 | R524 | R524-E526 HydrophobicContact CG-CG 4.28Å; R524-E526 VanDerWaalsContact CZ-CD 3.41Å; R524-E526 IonicContact CZ-OE1 3.43Å; R524-E526 VanDerWaalsContact CZ-OE1 3.26Å; R524-E526 IonicContact CZ-OE2 3.57Å; R524-E526 IonicContact NE-OE1 3.4Å; R524-E526 PolarHBondContact NE-OE1 2.91Å; R524-E526 IonicContact NE-OE2 3.54Å; R524-E526 IonicContact NH2-OE1 2.68Å; R524-E526 PolarHBondContact NH2-OE1 3.05Å; R524-E526 IonicContact NH2-OE2 2.76Å; R524-E526 PolarHBondContact NH2-OE2 3.4Å | |||
| 527 | D | 34.5 | Very low | 33.9 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 68.7 | 91.1 | 159.7 | -54.4 | -29.8 | 0 | 0 | 0 | 122.4 | ||||
| 528 | L | 42 | Very low | 34.2 | Very low | 187 Ų | 187 | 137.7 Ų | 137.7 | 98% | 0.979 | 79% | 0.789 | S | S | * | * | -169.7 | 159.1 | 114.4 | -100.9 | 165.9 | 0 | 0 | 0 | 111.4 | |||||
| 529 | D | 35.8 | Very low | 34.3 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -118.4 | 161.2 | -156.1 | -170.7 | 26.1 | 0 | 0 | 0 | 115.5 | ||||
| 530 | G | 29.3 | Very low | 34.3 | Very low | 71 Ų | 71 | 137.3 Ų | 137.3 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | 96 | 129.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 531 | G | 27.6 | Very low | 34.2 | Very low | 81 Ų | 81 | 140.8 Ų | 140.8 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | cis | 169.6 | 47.1 | 0.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G533 | G531-G533 PolarHBondContact O-N 2.98Š| ||
| 532 | A | 32.4 | Very low | 34.2 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -82.5 | 99.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 533 | G | 29.2 | Very low | 34.1 | Very low | 75 Ų | 75 | 139.7 Ų | 139.7 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -84.9 | 112.2 | -176 | 0 | 0 | 0 | 0 | 0 | 116.1 | G531 | G531-G533 PolarHBondContact O-N 2.98Š| ||
| 534 | S | 31.2 | Very low | 34.7 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | 51 | 95.8 | 149.7 | -173.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 535 | T | 35.2 | Very low | 35 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -113.9 | 137.7 | 138.8 | 53.1 | 0 | 0 | 0 | 0 | 109.5 | A537 | T535-A537 PolarHBondContact O-N 3.29Š| ||
| 536 | E | 31.3 | Very low | 34.9 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | trans | -59.2 | 134.5 | -165.4 | -63.1 | -175.3 | 112.9 | 0 | 0 | 115 | R538 | E536-R538 VanDerWaalsContact C-N 3.26Å; E536-R538 PolarHBondContact O-N 3.16Å | ||
| 537 | A | 27.5 | Very low | 35.1 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -68.8 | 81.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T535 V539 | T535-A537 PolarHBondContact O-N 3.29Å; A537-V539 PolarHBondContact O-N 3.43Å | ||
| 538 | R | 33.8 | Very low | 35.8 | Very low | 223 Ų | 223 | 144.1 Ų | 144.1 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | trans | -57.3 | 101.8 | 164.9 | -73.8 | -175 | -175.5 | 158.3 | 5.3 | 108.4 | E536 F540 | E536-R538 VanDerWaalsContact C-N 3.26Å; E536-R538 PolarHBondContact O-N 3.16Å; R538-F540 VanDerWaalsContact C-N 3.27Å; R538-F540 PolarHBondContact O-N 3.05Å | ||
| 539 | V | 32 | Very low | 36.3 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -64.8 | 88 | -179.2 | -175 | 0 | 0 | 0 | 0 | 109.4 | A537 R541 | A537-V539 PolarHBondContact O-N 3.43Å; V539-R541 PolarHBondContact O-N 3.18Å | ||
| 540 | F | 34.5 | Very low | 37.4 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 82% | 0.82 | 80% | 0.802 | S | S | * | * | trans | -62.8 | 100 | 176.9 | -168.4 | -95 | 0 | 0 | 0 | 107.9 | R538 E542 | R538-F540 VanDerWaalsContact C-N 3.27Å; R538-F540 PolarHBondContact O-N 3.05Å; F540-E542 HydrophobicContact CD1-CB 4.4Å; F540-E542 PolarHBondContact O-N 2.63Å | ||
| 541 | R | 38 | Very low | 39.8 | Very low | 222 Ų | 222 | 144.8 Ų | 144.8 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -70.6 | 81.1 | 174.7 | -83.6 | -170.3 | 175.3 | -122.3 | 0.6 | 108.9 | V539 S543 | V539-R541 PolarHBondContact O-N 3.18Å; R541-S543 PolarHBondContact O-N 2.88Å; R541-S543 VanDerWaalsContact O-N 3.12Å; R541-S543 PolarHBondContact O-OG 2.73Å | ||
| 542 | E | 27.4 | Very low | 42.5 | Very low | 154 Ų | 154 | 148 Ų | 148 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | -49.6 | 122 | 169.8 | 178.9 | 158.8 | -137.6 | 0 | 0 | 109.2 | F540 R544 | F540-E542 HydrophobicContact CD1-CB 4.4Å; F540-E542 PolarHBondContact O-N 2.63Å; E542-R544 PolarHBondContact O-N 3.34Å | ||
| 543 | S | 40.4 | Very low | 45.4 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -82.2 | 66.9 | -166.8 | -76.8 | 0 | 0 | 0 | 0 | 111.1 | R541 G545 | R541-S543 PolarHBondContact O-N 2.88Å; R541-S543 VanDerWaalsContact O-N 3.12Å; R541-S543 PolarHBondContact O-OG 2.73Å; S543-G545 PolarHBondContact O-N 3.28Å; S543-G545 VanDerWaalsContact O-N 3.14Å | ||
| 544 | R | 45 | Very low | 48.5 | Very low | 231 Ų | 231 | 149.7 Ų | 149.7 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | -30.8 | 109.9 | -173.6 | -66.7 | -172 | -177.9 | -179.5 | 0.5 | 114 | E542 | E542-R544 PolarHBondContact O-N 3.34Š| ||
| 545 | G | 44.2 | Very low | 51.6 | Low | 74 Ų | 74 | 151.5 Ų | 151.5 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 88.3 | 50.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117 | S543 | S543-G545 PolarHBondContact O-N 3.28Å; S543-G545 VanDerWaalsContact O-N 3.14Å |
| 546 | R | 45.9 | Very low | 54.5 | Low | 178 Ų | 178 | 146.7 Ų | 146.7 | 67% | 0.672 | 72% | 0.723 | S | S | * | * | trans | -141 | 128.7 | 149.5 | -75.7 | -163.8 | 167.5 | -179.2 | -8 | 110.9 | N548 | R546-N548 PolarHBondContact O-N 2.98Š| ||
| 547 | N | 40.4 | Very low | 57.7 | Low | 151 Ų | 151 | 142.5 Ų | 142.5 | 81% | 0.807 | 71% | 0.705 | S | S | * | * | trans | -63.8 | 128 | -174.6 | -48.6 | 5.8 | 0 | 0 | 0 | 109.7 | N549 | N547-N549 PolarHBondContact O-N 3.28Š| ||
| 548 | N | 47.7 | Very low | 61 | Low | 160 Ų | 160 | 141.8 Ų | 141.8 | 86% | 0.856 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 28.1 | -165.2 | -160.7 | 33.9 | 0 | 0 | 0 | 114.6 | R546 | R546-N548 PolarHBondContact O-N 2.98Š|
| 549 | N | 53.2 | Low | 64.1 | Low | 159 Ų | 159 | 131.2 Ų | 131.2 | 85% | 0.85 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 0.1 | -167.9 | -62.2 | -0.3 | 0 | 0 | 0 | 113.9 | N547 | N547-N549 PolarHBondContact O-N 3.28Š|
| 550 | E | 59.3 | Low | 67.2 | Low | 163 Ų | 163 | 127.6 Ų | 127.6 | 76% | 0.762 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -140.7 | 121.5 | 169.8 | -166.1 | -175.2 | 178.5 | 0 | 0 | 109.3 | H552 | E550-H552 PolarHBondContact O-N 2.88Š|
| 551 | P | 78.7 | Confident | 70.3 | Confident | 114 Ų | 114 | 123.3 Ų | 123.3 | 74% | 0.74 | 61% | 0.606 | S | S | * | * | trans | -69.3 | 121.4 | -174 | 26.8 | -33.7 | 0 | 0 | 0 | 110.9 | I553 | P551-I553 PolarHBondContact O-N 3.44Š| ||
| 552 | H | 85.7 | Confident | 73.1 | Confident | 148 Ų | 148 | 113.4 Ų | 113.4 | 69% | 0.685 | 57% | 0.57 | S | S | * | * | trans | -62.6 | 105.5 | -180 | 176.1 | 32.2 | 0 | 0 | 0 | 111.5 | E550 K554 | E550-H552 PolarHBondContact O-N 2.88Å; H552-K554 PolarHBondContact O-N 3.45Å | ||
| 553 | I | 92.2 | Very high | 76.5 | Confident | 46 Ų | 46 | 106.4 Ų | 106.4 | 24% | 0.236 | 54% | 0.537 | C | S | . | . | trans | -53.6 | 109.3 | 176.8 | -59 | 167.3 | 0 | 0 | 0 | 109.8 | P551 H613 Y617 Y620 | P551-I553 PolarHBondContact O-N 3.44Å; I553-H613 WeakPolarHBondContact CG2-CE1 3.33Å; I553-Y617 HydrophobicContact CD1-CD1 3.58Å; I553-Y617 HydrophobicContact CD1-CE1 4.14Å; I553-Y617 HydrophobicContact CD1-CG 4.02Å; I553-Y617 HydrophobicContact CG1-CD1 3.95Å; I553-Y617 HydrophobicContact CG1-CE1 4.03Å; I553-Y617 HydrophobicContact CG1-CG 4.41Å; I553-Y617 HydrophobicContact CG2-CD1 4.27Å; I553-Y617 HydrophobicContact CG2-CD2 3.81Å; I553-Y617 HydrophobicContact CG2-CE2 4.07Å; I553-Y617 HydrophobicContact CG2-CG 3.92Å; I553-Y620 HydrophobicContact CB-CD2 4.04Å; I553-Y620 HydrophobicContact CB-CE2 4.45Å; I553-Y620 HydrophobicContact CG2-CD2 3.52Å; I553-Y620 HydrophobicContact CG2-CE2 4.01Å; I553-Y620 HydrophobicContact CG2-CG 4.27Å | ||
| 554 | K | 94.5 | Very high | 79.2 | Confident | 174 Ų | 174 | 101 Ų | 101 | 76% | 0.757 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 149.6 | 174.6 | -63.7 | 175.6 | -176.2 | 170.6 | 0 | 109.5 | H552 H613 | H552-K554 PolarHBondContact O-N 3.45Å; K554-H613 PolarHBondContact O-CE1 2.88Å |
| 555 | R | 96.3 | Very high | 81.7 | Confident | 151 Ų | 151 | 95 Ų | 95 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 153.9 | 174.9 | -44.7 | -172.3 | -161.9 | -158.2 | 5 | 111.2 | Y622 | R555-Y622 VanDerWaalsContact NH1-CZ 3.27Å; R555-Y622 PolarHBondContact NH1-OH 2.97Å; R555-Y622 VanDerWaalsContact NH2-CZ 3.33Å; R555-Y622 PolarHBondContact NH2-OH 3.35Å |
| 556 | P | 97 | Very high | 84.1 | Confident | 42 Ų | 42 | 94 Ų | 94 | 27% | 0.273 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 154.6 | 160.1 | 28.7 | -33.3 | 0 | 0 | 0 | 110 | L609 H613 | P556-L609 HydrophobicContact CB-CB 4.49Å; P556-H613 HydrophobicContact CB-CB 4.01Å; P556-H613 HydrophobicContact CG-CB 4.15Å |
| 557 | M | 97.4 | Very high | 86.6 | Confident | 80 Ų | 80 | 86.2 Ų | 86.2 | 39% | 0.394 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 144.7 | 175 | -65 | -172.2 | -65.2 | 0 | 0 | 110.2 | M561 V562 K565 L609 | M557-M561 HydrophobicContact CB-CB 4Å; M557-M561 HydrophobicContact CG-CB 4.35Å; M557-V562 HydrophobicContact CB-CG2 3.87Å; M557-V562 HydrophobicContact CE-CG2 4.33Å; M557-K565 HydrophobicContact CE-CD 4.36Å; M557-L609 HydrophobicContact CB-CD1 4.41Å; M557-L609 HydrophobicContact CE-CD1 4.08Å |
| 558 | N | 98.1 | Very high | 89.3 | Confident | 79 Ų | 79 | 82.2 Ų | 82.2 | 42% | 0.422 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 165.9 | 167.2 | 70.8 | 1 | 0 | 0 | 0 | 110.4 | F560 M561 V562 Q606 | N558-F560 VanDerWaalsContact C-N 3.27Å; N558-F560 PolarHBondContact O-N 2.91Å; N558-M561 CarbonylContact O-C 3.49Å; N558-M561 WeakPolarHBondContact O-CA 3.45Å; N558-M561 PolarHBondContact O-N 3.06Å; N558-M561 VanDerWaalsContact OD1-CB 3.28Å; N558-M561 WeakPolarHBondContact OD1-CB 2.83Å; N558-M561 WeakPolarHBondContact OD1-CG 3.26Å; N558-M561 PolarHBondContact OD1-N 3.43Å; N558-V562 PolarHBondContact O-N 3.11Å; N558-Q606 VanDerWaalsContact CB-OE1 3.28Å |
| 559 | A | 97.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 80.8 Ų | 80.8 | 2% | 0.017 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -51.7 | -45.1 | -175 | 0 | 0 | 0 | 0 | 0 | 112.7 | M561 V562 W563 W591 Y602 Y603 Q606 | A559-M561 PolarHBondContact O-N 3.44Å; A559-V562 PolarHBondContact O-N 3.17Å; A559-W563 WeakPolarHBondContact O-CB 3.37Å; A559-W563 PolarHBondContact O-N 3.5Å; A559-W591 HydrophobicContact CB-CH2 3.92Å; A559-W591 HydrophobicContact CB-CZ2 4.13Å; A559-Y602 WeakPolarHBondContact CA-O 3.38Å; A559-Y602 WeakPolarHBondContact CB-O 3.32Å; A559-Y603 HydrophobicContact CB-CD1 3.62Å; A559-Y603 HydrophobicContact CB-CE1 3.88Å; A559-Y603 HydrophobicContact CB-CG 4.13Å; A559-Q606 HydrophobicContact CB-CB 4.23Å |
| 560 | F | 98.3 | Very high | 93.8 | Very high | 52 Ų | 52 | 79 Ų | 79 | 23% | 0.228 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58 | -44.3 | 173.3 | 174.2 | -97.8 | 0 | 0 | 0 | 112.7 | N558 W563 A564 L587 W591 | N558-F560 VanDerWaalsContact C-N 3.27Å; N558-F560 PolarHBondContact O-N 2.91Å; F560-W563 HydrophobicContact CD2-CE3 4.01Å; F560-W563 HydrophobicContact CD2-CZ3 4.08Å; F560-W563 HydrophobicContact CE2-CE3 4.1Å; F560-W563 AromaticContact CE2-CZ3 3.73Å; F560-W563 HydrophobicContact CE2-CZ3 3.73Å; F560-A564 HydrophobicContact CD1-CB 4.47Å; F560-A564 HydrophobicContact CE1-CB 4.17Å; F560-A564 HydrophobicContact CE2-CB 4.49Å; F560-A564 HydrophobicContact CZ-CB 4.19Å; F560-A564 WeakPolarHBondContact O-CA 3.34Å; F560-A564 WeakPolarHBondContact O-CB 3.34Å; F560-A564 PolarHBondContact O-N 2.95Å; F560-L587 HydrophobicContact CE2-CB 4.48Å; F560-L587 HydrophobicContact CZ-CB 4.31Å; F560-W591 HydrophobicContact CB-CD2 4.45Å; F560-W591 HydrophobicContact CD2-CB 3.73Å; F560-W591 AromaticContact CD2-CD1 3.87Å; F560-W591 AromaticContact CD2-CD2 3.93Å; F560-W591 HydrophobicContact CD2-CD2 3.93Å; F560-W591 AromaticContact CD2-CG 3.55Å; F560-W591 HydrophobicContact CD2-CG 3.55Å; F560-W591 HydrophobicContact CE2-CB 3.85Å; F560-W591 HydrophobicContact CE2-CG 4.19Å |
| 561 | M | 98.2 | Very high | 95.5 | Very high | 96 Ų | 96 | 72.2 Ų | 72.2 | 47% | 0.473 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72.1 | -28.5 | 179.1 | -72.2 | -73.9 | -175.2 | 0 | 0 | 113.3 | M557 N558 A559 K565 | M557-M561 HydrophobicContact CB-CB 4Å; M557-M561 HydrophobicContact CG-CB 4.35Å; N558-M561 CarbonylContact O-C 3.49Å; N558-M561 WeakPolarHBondContact O-CA 3.45Å; N558-M561 PolarHBondContact O-N 3.06Å; N558-M561 VanDerWaalsContact OD1-CB 3.28Å; N558-M561 WeakPolarHBondContact OD1-CB 2.83Å; N558-M561 WeakPolarHBondContact OD1-CG 3.26Å; N558-M561 PolarHBondContact OD1-N 3.43Å; A559-M561 PolarHBondContact O-N 3.44Å; M561-K565 PolarHBondContact O-N 2.83Å |
| 562 | V | 98 | Very high | 96.3 | Very high | 15 Ų | 15 | 70 Ų | 70 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.2 | -58.9 | 170 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | M557 N558 A559 A564 K565 Y602 E605 L609 | M557-V562 HydrophobicContact CB-CG2 3.87Å; M557-V562 HydrophobicContact CE-CG2 4.33Å; N558-V562 PolarHBondContact O-N 3.11Å; A559-V562 PolarHBondContact O-N 3.17Å; V562-A564 PolarHBondContact O-N 3.47Å; V562-K565 VanDerWaalsContact O-CB 3.22Å; V562-K565 WeakPolarHBondContact O-CB 3.39Å; V562-K565 PolarHBondContact O-N 3.26Å; V562-Y602 HydrophobicContact CG1-CD1 4.01Å; V562-E605 HydrophobicContact CG1-CB 4.28Å; V562-E605 HydrophobicContact CG1-CG 3.64Å; V562-E605 HydrophobicContact CG2-CG 4.24Å; V562-L609 HydrophobicContact CG2-CD1 3.73Å |
| 563 | W | 98.2 | Very high | 96.8 | Very high | 7 Ų | 7 | 70.6 Ų | 70.6 | 3% | 0.027 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.9 | -48.3 | 178.5 | 170.6 | 83.3 | 0 | 0 | 0 | 112.9 | A559 F560 K565 D566 E567 L587 R590 W591 M594 Y602 | A559-W563 WeakPolarHBondContact O-CB 3.37Å; A559-W563 PolarHBondContact O-N 3.5Å; F560-W563 HydrophobicContact CD2-CE3 4.01Å; F560-W563 HydrophobicContact CD2-CZ3 4.08Å; F560-W563 HydrophobicContact CE2-CE3 4.1Å; F560-W563 AromaticContact CE2-CZ3 3.73Å; F560-W563 HydrophobicContact CE2-CZ3 3.73Å; W563-K565 PolarHBondContact O-N 2.87Å; W563-D566 PolarHBondContact O-N 3.28Å; W563-E567 HydrophobicContact CD2-CG 4.12Å; W563-E567 HydrophobicContact CG-CG 4.41Å; W563-E567 HydrophobicContact CZ2-CB 4.38Å; W563-E567 HydrophobicContact CZ2-CG 3.9Å; W563-E567 PolarHBondContact O-N 3.07Å; W563-L587 HydrophobicContact CH2-CB 4.2Å; W563-L587 HydrophobicContact CH2-CD2 3.73Å; W563-L587 VanDerWaalsContact CH2-O 3.23Å; W563-L587 WeakPolarHBondContact CH2-O 3.48Å; W563-L587 HydrophobicContact CZ3-CB 3.92Å; W563-L587 HydrophobicContact CZ3-CD2 3.82Å; W563-L587 HydrophobicContact CZ3-CG 4.46Å; W563-L587 VanDerWaalsContact CZ3-O 3.29Å; W563-L587 WeakPolarHBondContact CZ3-O 3.32Å; W563-R590 HydrophobicContact CH2-CB 3.96Å; W563-R590 HydrophobicContact CH2-CG 4.2Å; W563-R590 HydrophobicContact CZ2-CB 4.16Å; W563-R590 HydrophobicContact CZ2-CG 3.86Å; W563-W591 HydrophobicContact CB-CE3 4.07Å; W563-W591 HydrophobicContact CB-CZ3 3.7Å; W563-W591 AromaticContact CD2-CE3 3.56Å; W563-W591 HydrophobicContact CD2-CE3 3.56Å; W563-W591 HydrophobicContact CD2-CZ3 4.08Å; W563-W591 HydrophobicContact CE3-CB 4.16Å; W563-W591 HydrophobicContact CE3-CD2 4.36Å; W563-W591 AromaticContact CE3-CE3 3.7Å; W563-W591 HydrophobicContact CE3-CE3 3.7Å; W563-W591 HydrophobicContact CE3-CZ3 4.5Å; W563-W591 AromaticContact CG-CE3 3.73Å; W563-W591 HydrophobicContact CG-CE3 3.73Å; W563-W591 AromaticContact CG-CZ3 3.73Å; W563-W591 HydrophobicContact CG-CZ3 3.73Å; W563-W591 HydrophobicContact CH2-CB 3.93Å; W563-W591 HydrophobicContact CZ3-CB 3.7Å; W563-W591 HydrophobicContact CZ3-CE3 4.39Å; W563-M594 HydrophobicContact CD2-SD 4.37Å; W563-M594 HydrophobicContact CZ2-SD 3.61Å; W563-M594 PolarHBondContact NE1-SD 3.47Å; W563-Y602 HydrophobicContact CB-CD1 3.64Å; W563-Y602 HydrophobicContact CB-CD2 4.3Å; W563-Y602 HydrophobicContact CB-CE1 3.87Å; W563-Y602 HydrophobicContact CB-CG 3.87Å; W563-Y602 AromaticContact CD1-CE1 3.98Å; W563-Y602 AromaticContact CD1-CE2 3.7Å; W563-Y602 AromaticContact CD1-CZ 3.6Å; W563-Y602 HydrophobicContact CG-CD1 4.49Å; W563-Y602 HydrophobicContact CG-CE1 4.36Å; W563-Y602 HydrophobicContact CG-CE2 4.47Å |
| 564 | A | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.2 | -14 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F560 V562 R568 L587 | F560-A564 HydrophobicContact CD1-CB 4.47Å; F560-A564 HydrophobicContact CE1-CB 4.17Å; F560-A564 HydrophobicContact CE2-CB 4.49Å; F560-A564 HydrophobicContact CZ-CB 4.19Å; F560-A564 WeakPolarHBondContact O-CA 3.34Å; F560-A564 WeakPolarHBondContact O-CB 3.34Å; F560-A564 PolarHBondContact O-N 2.95Å; V562-A564 PolarHBondContact O-N 3.47Å; A564-R568 WeakPolarHBondContact O-CB 3.5Å; A564-R568 PolarHBondContact O-N 2.7Å; A564-R568 VanDerWaalsContact O-N 3.09Å; A564-L587 HydrophobicContact CB-CD1 4.14Å |
| 565 | K | 96.6 | Very high | 96.9 | Very high | 105 Ų | 105 | 69.2 Ų | 69.2 | 46% | 0.457 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 174.8 | 175.3 | -177.8 | 154.4 | -94 | 0 | 111 | M557 M561 V562 W563 | M557-K565 HydrophobicContact CE-CD 4.36Å; M561-K565 PolarHBondContact O-N 2.83Å; V562-K565 VanDerWaalsContact O-CB 3.22Å; V562-K565 WeakPolarHBondContact O-CB 3.39Å; V562-K565 PolarHBondContact O-N 3.26Å; W563-K565 PolarHBondContact O-N 2.87Å |
| 566 | D | 95.9 | Very high | 96.8 | Very high | 53 Ų | 53 | 66.5 Ų | 66.5 | 28% | 0.283 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -95.5 | -34.2 | -171.3 | -60.2 | -59.6 | 0 | 0 | 0 | 110.7 | W563 R568 R569 K570 | W563-D566 PolarHBondContact O-N 3.28Å; D566-R568 PolarHBondContact O-N 3.1Å; D566-R569 WeakPolarHBondContact O-CB 3.45Å; D566-R569 PolarHBondContact O-N 2.98Å; D566-R569 VanDerWaalsContact O-N 3.07Å; D566-R569 IonicContact OD1-CZ 3.36Å; D566-R569 IonicContact OD1-NH1 2.69Å; D566-R569 PolarHBondContact OD1-NH1 2.7Å; D566-R569 IonicContact OD1-NH2 3.18Å; D566-R569 PolarHBondContact OD1-NH2 2.69Å; D566-K570 PolarHBondContact O-N 2.83Å |
| 567 | E | 97.2 | Very high | 96.6 | Very high | 14 Ų | 14 | 72 Ų | 72 | 7% | 0.065 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65 | -35.5 | 169.4 | -70.4 | -66.2 | 123.3 | 0 | 0 | 113.4 | W563 R569 K570 I571 L587 R590 | W563-E567 HydrophobicContact CD2-CG 4.12Å; W563-E567 HydrophobicContact CG-CG 4.41Å; W563-E567 HydrophobicContact CZ2-CB 4.38Å; W563-E567 HydrophobicContact CZ2-CG 3.9Å; W563-E567 PolarHBondContact O-N 3.07Å; E567-R569 PolarHBondContact O-N 3.44Å; E567-K570 PolarHBondContact O-N 2.9Å; E567-K570 WeakPolarHBondContact OE1-CD 3.4Å; E567-K570 WeakPolarHBondContact OE1-CE 3.39Å; E567-K570 IonicContact OE1-NZ 2.71Å; E567-K570 PolarHBondContact OE1-NZ 2.92Å; E567-I571 WeakPolarHBondContact O-CG1 3.36Å; E567-I571 PolarHBondContact O-N 2.95Å; E567-L587 HydrophobicContact CB-CD2 3.48Å; E567-L587 VanDerWaalsContact CB-CD2 3.48Å; E567-R590 IonicContact OE2-CZ 2.73Å; E567-R590 IonicContact OE2-NE 2.63Å; E567-R590 IonicContact OE2-NH1 2.7Å; E567-R590 PolarHBondContact OE2-NH1 3.01Å |
| 568 | R | 97.7 | Very high | 96.5 | Very high | 67 Ų | 67 | 71.1 Ų | 71.1 | 25% | 0.253 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.1 | -35.7 | 169.9 | 177 | 174 | -77.4 | 135.5 | -6.2 | 111.6 | A564 D566 L572 N580 I583 S584 L587 | A564-R568 WeakPolarHBondContact O-CB 3.5Å; A564-R568 PolarHBondContact O-N 2.7Å; A564-R568 VanDerWaalsContact O-N 3.09Å; D566-R568 PolarHBondContact O-N 3.1Å; R568-L572 HydrophobicContact CG-CD1 3.94Å; R568-L572 HydrophobicContact CG-CG 4.48Å; R568-L572 WeakPolarHBondContact O-CB 3.3Å; R568-L572 WeakPolarHBondContact O-CG 3.36Å; R568-L572 PolarHBondContact O-N 3.25Å; R568-N580 PolarHBondContact NE-ND2 3.48Å; R568-I583 HydrophobicContact CB-CG2 4.5Å; R568-I583 HydrophobicContact CG-CG2 4.18Å; R568-S584 PolarHBondContact NH2-OG 2.95Å; R568-L587 HydrophobicContact CB-CD1 3.89Å |
| 569 | R | 96.9 | Very high | 96.4 | Very high | 130 Ų | 130 | 73.1 Ų | 73.1 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68 | -44.5 | 178.2 | -163.8 | -176.1 | -52.5 | 103.5 | 22 | 110.8 | D566 E567 I571 L572 Q573 | D566-R569 WeakPolarHBondContact O-CB 3.45Å; D566-R569 PolarHBondContact O-N 2.98Å; D566-R569 VanDerWaalsContact O-N 3.07Å; D566-R569 IonicContact OD1-CZ 3.36Å; D566-R569 IonicContact OD1-NH1 2.69Å; D566-R569 PolarHBondContact OD1-NH1 2.7Å; D566-R569 IonicContact OD1-NH2 3.18Å; D566-R569 PolarHBondContact OD1-NH2 2.69Å; E567-R569 PolarHBondContact O-N 3.44Å; R569-I571 VanDerWaalsContact C-N 3.34Å; R569-I571 PolarHBondContact O-N 2.72Å; R569-L572 PolarHBondContact O-N 3.04Å; R569-Q573 VanDerWaalsContact O-CB 3.31Å; R569-Q573 WeakPolarHBondContact O-CB 3.23Å; R569-Q573 PolarHBondContact O-N 3.3Å |
| 570 | K | 97.1 | Very high | 96.2 | Very high | 120 Ų | 120 | 76.5 Ų | 76.5 | 52% | 0.522 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.7 | -44.2 | 174.5 | -64 | 176.5 | -169.6 | 172 | 0 | 112.2 | D566 E567 Q573 A574 | D566-K570 PolarHBondContact O-N 2.83Å; E567-K570 PolarHBondContact O-N 2.9Å; E567-K570 WeakPolarHBondContact OE1-CD 3.4Å; E567-K570 WeakPolarHBondContact OE1-CE 3.39Å; E567-K570 IonicContact OE1-NZ 2.71Å; E567-K570 PolarHBondContact OE1-NZ 2.92Å; K570-Q573 PolarHBondContact O-N 3.21Å; K570-A574 PolarHBondContact O-N 3.1Å; K570-A574 VanDerWaalsContact O-N 3.09Å |
| 571 | I | 95.8 | Very high | 96.1 | Very high | 22 Ų | 22 | 77.3 Ų | 77.3 | 11% | 0.113 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 177.7 | -63.1 | 168.1 | 0 | 0 | 0 | 111.5 | E567 R569 Q573 A574 F575 I583 I586 L587 | E567-I571 WeakPolarHBondContact O-CG1 3.36Å; E567-I571 PolarHBondContact O-N 2.95Å; R569-I571 VanDerWaalsContact C-N 3.34Å; R569-I571 PolarHBondContact O-N 2.72Å; I571-Q573 VanDerWaalsContact C-N 3.32Å; I571-A574 PolarHBondContact O-N 3.35Å; I571-F575 HydrophobicContact CG2-CD2 4.47Å; I571-F575 PolarHBondContact O-N 3.43Å; I571-I583 HydrophobicContact CB-CG2 4.06Å; I571-I583 HydrophobicContact CD1-CG2 3.92Å; I571-I583 HydrophobicContact CG2-CB 4.39Å; I571-I583 HydrophobicContact CG2-CD1 4Å; I571-I583 HydrophobicContact CG2-CG1 3.87Å; I571-I583 HydrophobicContact CG2-CG2 3.91Å; I571-I586 HydrophobicContact CD1-CB 4.46Å; I571-I586 HydrophobicContact CD1-CG2 3.92Å; I571-L587 HydrophobicContact CD1-CD2 3.76Å; I571-L587 HydrophobicContact CD1-CG 4Å |
| 572 | L | 95.8 | Very high | 96 | Very high | 67 Ų | 67 | 75.8 Ų | 75.8 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.4 | -28.3 | 174.3 | -76.3 | 169 | 0 | 0 | 0 | 113.3 | R568 R569 F575 P576 I583 | R568-L572 HydrophobicContact CG-CD1 3.94Å; R568-L572 HydrophobicContact CG-CG 4.48Å; R568-L572 WeakPolarHBondContact O-CB 3.3Å; R568-L572 WeakPolarHBondContact O-CG 3.36Å; R568-L572 PolarHBondContact O-N 3.25Å; R569-L572 PolarHBondContact O-N 3.04Å; L572-F575 CarbonylContact O-C 3.58Å; L572-P576 WeakPolarHBondContact O-CA 3.34Å; L572-I583 HydrophobicContact CD2-CD1 3.46Å; L572-I583 VanDerWaalsContact CD2-CD1 3.46Å; L572-I583 HydrophobicContact CG-CD1 3.62Å |
| 573 | Q | 96.3 | Very high | 96 | Very high | 160 Ų | 160 | 75 Ų | 75 | 75% | 0.748 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -72.9 | -37.9 | 176.9 | -175.3 | 177.2 | 3.1 | 0 | 0 | 111.7 | R569 K570 I571 | R569-Q573 VanDerWaalsContact O-CB 3.31Å; R569-Q573 WeakPolarHBondContact O-CB 3.23Å; R569-Q573 PolarHBondContact O-N 3.3Å; K570-Q573 PolarHBondContact O-N 3.21Å; I571-Q573 VanDerWaalsContact C-N 3.32Å |
| 574 | A | 95.3 | Very high | 95.9 | Very high | 67 Ų | 67 | 76.7 Ų | 76.7 | 55% | 0.554 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -79.2 | -31 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | K570 I571 | K570-A574 PolarHBondContact O-N 3.1Å; K570-A574 VanDerWaalsContact O-N 3.09Å; I571-A574 PolarHBondContact O-N 3.35Å |
| 575 | F | 93.4 | Very high | 95.9 | Very high | 124 Ų | 124 | 83.5 Ų | 83.5 | 54% | 0.544 | 42% | 0.42 | S | S | . | . | trans | -140.1 | 79.8 | -175.4 | -52.1 | -76.1 | 0 | 0 | 0 | 110.7 | I571 L572 D577 M578 | I571-F575 HydrophobicContact CG2-CD2 4.47Å; I571-F575 PolarHBondContact O-N 3.43Å; L572-F575 CarbonylContact O-C 3.58Å; F575-D577 PolarHBondContact O-N 3.34Å; F575-M578 HydrophobicContact CB-CB 3.74Å; F575-M578 HydrophobicContact CB-CE 4.31Å; F575-M578 HydrophobicContact CG-CE 4.47Å; F575-M578 WeakPolarHBondContact O-CB 3.44Å; F575-M578 PolarHBondContact O-N 3.28Å; F575-M578 VanDerWaalsContact O-N 3.09Å | ||
| 576 | P | 93.3 | Very high | 96 | Very high | 95 Ų | 95 | 82.4 Ų | 82.4 | 62% | 0.617 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -39.7 | -173.3 | 21.3 | -32.5 | 0 | 0 | 0 | 113.6 | L572 M578 | L572-P576 WeakPolarHBondContact O-CA 3.34Å; P576-M578 PolarHBondContact O-N 3.42Å |
| 577 | D | 94.2 | Very high | 96.1 | Very high | 158 Ų | 158 | 79.9 Ų | 79.9 | 85% | 0.845 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 1.5 | 179.1 | -61.4 | -49.7 | 0 | 0 | 0 | 114 | F575 H579 | F575-D577 PolarHBondContact O-N 3.34Å; D577-H579 PolarHBondContact O-N 3.05Å |
| 578 | M | 94.1 | Very high | 96.1 | Very high | 61 Ų | 61 | 80.9 Ų | 80.9 | 30% | 0.3 | 42% | 0.419 | S | S | . | . | trans | -68 | 104.7 | -177.7 | -174.2 | 61.1 | 65.1 | 0 | 0 | 111.2 | F575 P576 N580 N582 I583 | F575-M578 HydrophobicContact CB-CB 3.74Å; F575-M578 HydrophobicContact CB-CE 4.31Å; F575-M578 HydrophobicContact CG-CE 4.47Å; F575-M578 WeakPolarHBondContact O-CB 3.44Å; F575-M578 PolarHBondContact O-N 3.28Å; F575-M578 VanDerWaalsContact O-N 3.09Å; P576-M578 PolarHBondContact O-N 3.42Å; M578-N580 PolarHBondContact O-N 2.93Å; M578-N582 HydrophobicContact SD-CB 3.86Å; M578-I583 HydrophobicContact CB-CD1 4.12Å; M578-I583 HydrophobicContact CB-CG1 4.03Å; M578-I583 HydrophobicContact CG-CD1 4.12Å; M578-I583 HydrophobicContact CG-CG1 3.47Å; M578-I583 VanDerWaalsContact CG-CG1 3.47Å; M578-I583 VanDerWaalsContact O-CD1 3.25Å; M578-I583 WeakPolarHBondContact O-CD1 3.25Å; M578-I583 WeakPolarHBondContact O-CG1 3.35Å | ||
| 579 | H | 95.7 | Very high | 96.1 | Very high | 121 Ų | 121 | 81.5 Ų | 81.5 | 56% | 0.56 | 43% | 0.434 | S | S | * | . | trans | -54 | 131.4 | -177.2 | 179 | 71.1 | 0 | 0 | 0 | 112.7 | D577 S581 N582 I583 | D577-H579 PolarHBondContact O-N 3.05Å; H579-S581 PolarHBondContact CD2-N 3.06Å; H579-S581 PolarHBondContact CD2-OG 3Å; H579-S581 WeakPolarHBondContact NE2-CB 3.26Å; H579-S581 PolarHBondContact NE2-OG 3.43Å; H579-S581 PolarHBondContact O-N 3.32Å; H579-N582 WeakPolarHBondContact O-CB 3.27Å; H579-N582 PolarHBondContact O-N 2.65Å; H579-I583 PolarHBondContact O-N 3.35Å | ||
| 580 | N | 93.6 | Very high | 96.2 | Very high | 73 Ų | 73 | 81.5 Ų | 81.5 | 39% | 0.39 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -55.6 | -29.2 | -167.9 | -164.4 | -85.2 | 0 | 0 | 0 | 115 | R568 M578 N582 I583 S584 | R568-N580 PolarHBondContact NE-ND2 3.48Å; M578-N580 PolarHBondContact O-N 2.93Å; N580-N582 VanDerWaalsContact C-N 3.31Å; N580-N582 PolarHBondContact O-N 3.37Å; N580-I583 PolarHBondContact O-N 3.19Å; N580-S584 WeakPolarHBondContact O-CB 3.48Å; N580-S584 PolarHBondContact O-N 3.08Å; N580-S584 PolarHBondContact O-OG 3.19Å; N580-S584 PolarHBondContact OD1-OG 3.05Å |
| 581 | S | 96.6 | Very high | 96.2 | Very high | 69 Ų | 69 | 77.5 Ų | 77.5 | 48% | 0.483 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.5 | -33.5 | 174.4 | -51.5 | 0 | 0 | 0 | 0 | 112.6 | H579 K585 | H579-S581 PolarHBondContact CD2-N 3.06Å; H579-S581 PolarHBondContact CD2-OG 3Å; H579-S581 WeakPolarHBondContact NE2-CB 3.26Å; H579-S581 PolarHBondContact NE2-OG 3.43Å; H579-S581 PolarHBondContact O-N 3.32Å; S581-K585 WeakPolarHBondContact O-CG 3.38Å; S581-K585 PolarHBondContact O-N 3.24Å |
| 582 | N | 96.7 | Very high | 96.3 | Very high | 63 Ų | 63 | 85.1 Ų | 85.1 | 34% | 0.337 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -75.6 | -44.9 | 175.6 | -69.7 | -17.5 | 0 | 0 | 0 | 111.1 | M578 H579 N580 S584 K585 I586 | M578-N582 HydrophobicContact SD-CB 3.86Å; H579-N582 WeakPolarHBondContact O-CB 3.27Å; H579-N582 PolarHBondContact O-N 2.65Å; N580-N582 VanDerWaalsContact C-N 3.31Å; N580-N582 PolarHBondContact O-N 3.37Å; N582-S584 PolarHBondContact O-N 2.88Å; N582-K585 WeakPolarHBondContact O-CB 3.12Å; N582-K585 PolarHBondContact O-N 2.97Å; N582-K585 PolarHBondContact OD1-NZ 2.94Å; N582-I586 WeakPolarHBondContact O-CG1 3.37Å; N582-I586 PolarHBondContact O-N 3.38Å; N582-I586 VanDerWaalsContact O-N 3.07Å |
| 583 | I | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 86.6 Ų | 86.6 | 0% | 0 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -53.2 | -43 | 171.6 | -53.8 | -172.7 | 0 | 0 | 0 | 110.6 | R568 I571 L572 M578 H579 N580 K585 I586 L587 | R568-I583 HydrophobicContact CB-CG2 4.5Å; R568-I583 HydrophobicContact CG-CG2 4.18Å; I571-I583 HydrophobicContact CB-CG2 4.06Å; I571-I583 HydrophobicContact CD1-CG2 3.92Å; I571-I583 HydrophobicContact CG2-CB 4.39Å; I571-I583 HydrophobicContact CG2-CD1 4Å; I571-I583 HydrophobicContact CG2-CG1 3.87Å; I571-I583 HydrophobicContact CG2-CG2 3.91Å; L572-I583 HydrophobicContact CD2-CD1 3.46Å; L572-I583 VanDerWaalsContact CD2-CD1 3.46Å; L572-I583 HydrophobicContact CG-CD1 3.62Å; M578-I583 HydrophobicContact CB-CD1 4.12Å; M578-I583 HydrophobicContact CB-CG1 4.03Å; M578-I583 HydrophobicContact CG-CD1 4.12Å; M578-I583 HydrophobicContact CG-CG1 3.47Å; M578-I583 VanDerWaalsContact CG-CG1 3.47Å; M578-I583 VanDerWaalsContact O-CD1 3.25Å; M578-I583 WeakPolarHBondContact O-CD1 3.25Å; M578-I583 WeakPolarHBondContact O-CG1 3.35Å; H579-I583 PolarHBondContact O-N 3.35Å; N580-I583 PolarHBondContact O-N 3.19Å; I583-K585 VanDerWaalsContact C-N 3.32Å; I583-K585 PolarHBondContact O-N 3.04Å; I583-I586 PolarHBondContact O-N 2.84Å; I583-L587 HydrophobicContact CG2-CD1 3.69Å; I583-L587 HydrophobicContact CG2-CG 4.08Å; I583-L587 WeakPolarHBondContact O-CB 3.24Å; I583-L587 VanDerWaalsContact O-CG 3.29Å; I583-L587 WeakPolarHBondContact O-CG 3.4Å; I583-L587 PolarHBondContact O-N 2.85Å |
| 584 | S | 97.8 | Very high | 96.4 | Very high | 42 Ų | 42 | 80.4 Ų | 80.4 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.2 | -25.3 | -179.2 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | R568 N580 N582 G588 | R568-S584 PolarHBondContact NH2-OG 2.95Å; N580-S584 WeakPolarHBondContact O-CB 3.48Å; N580-S584 PolarHBondContact O-N 3.08Å; N580-S584 PolarHBondContact O-OG 3.19Å; N580-S584 PolarHBondContact OD1-OG 3.05Å; N582-S584 PolarHBondContact O-N 2.88Å; S584-G588 PolarHBondContact O-N 3.05Å; S584-G588 VanDerWaalsContact O-N 3.12Å |
| 585 | K | 97.9 | Very high | 96.6 | Very high | 143 Ų | 143 | 79.6 Ų | 79.6 | 62% | 0.622 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -68.9 | -48.9 | 167.6 | -64.7 | 166 | -171 | 164.5 | 0 | 110.8 | S581 N582 I583 L587 G588 S589 | S581-K585 WeakPolarHBondContact O-CG 3.38Å; S581-K585 PolarHBondContact O-N 3.24Å; N582-K585 WeakPolarHBondContact O-CB 3.12Å; N582-K585 PolarHBondContact O-N 2.97Å; N582-K585 PolarHBondContact OD1-NZ 2.94Å; I583-K585 VanDerWaalsContact C-N 3.32Å; I583-K585 PolarHBondContact O-N 3.04Å; K585-L587 PolarHBondContact O-N 2.82Å; K585-G588 PolarHBondContact O-N 3.02Å; K585-S589 PolarHBondContact O-N 3.06Å |
| 586 | I | 97.3 | Very high | 96.7 | Very high | 81 Ų | 81 | 79.4 Ų | 79.4 | 42% | 0.415 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.8 | -48.8 | -179.1 | -63.6 | 165.6 | 0 | 0 | 0 | 110.1 | I571 N582 I583 G588 S589 R590 | I571-I586 HydrophobicContact CD1-CB 4.46Å; I571-I586 HydrophobicContact CD1-CG2 3.92Å; N582-I586 WeakPolarHBondContact O-CG1 3.37Å; N582-I586 PolarHBondContact O-N 3.38Å; N582-I586 VanDerWaalsContact O-N 3.07Å; I583-I586 PolarHBondContact O-N 2.84Å; I586-G588 PolarHBondContact O-N 3.43Å; I586-S589 PolarHBondContact O-N 3.35Å; I586-R590 PolarHBondContact O-N 2.86Å |
| 587 | L | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 82.9 Ų | 82.9 | 1% | 0.005 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 176.3 | -69.5 | 172.8 | 0 | 0 | 0 | 112.4 | F560 W563 A564 E567 R568 I571 I583 K585 S589 R590 W591 | F560-L587 HydrophobicContact CE2-CB 4.48Å; F560-L587 HydrophobicContact CZ-CB 4.31Å; W563-L587 HydrophobicContact CH2-CB 4.2Å; W563-L587 HydrophobicContact CH2-CD2 3.73Å; W563-L587 VanDerWaalsContact CH2-O 3.23Å; W563-L587 WeakPolarHBondContact CH2-O 3.48Å; W563-L587 HydrophobicContact CZ3-CB 3.92Å; W563-L587 HydrophobicContact CZ3-CD2 3.82Å; W563-L587 HydrophobicContact CZ3-CG 4.46Å; W563-L587 VanDerWaalsContact CZ3-O 3.29Å; W563-L587 WeakPolarHBondContact CZ3-O 3.32Å; A564-L587 HydrophobicContact CB-CD1 4.14Å; E567-L587 HydrophobicContact CB-CD2 3.48Å; E567-L587 VanDerWaalsContact CB-CD2 3.48Å; R568-L587 HydrophobicContact CB-CD1 3.89Å; I571-L587 HydrophobicContact CD1-CD2 3.76Å; I571-L587 HydrophobicContact CD1-CG 4Å; I583-L587 HydrophobicContact CG2-CD1 3.69Å; I583-L587 HydrophobicContact CG2-CG 4.08Å; I583-L587 WeakPolarHBondContact O-CB 3.24Å; I583-L587 VanDerWaalsContact O-CG 3.29Å; I583-L587 WeakPolarHBondContact O-CG 3.4Å; I583-L587 PolarHBondContact O-N 2.85Å; K585-L587 PolarHBondContact O-N 2.82Å; L587-S589 VanDerWaalsContact C-N 3.31Å; L587-S589 PolarHBondContact O-N 2.93Å; L587-R590 PolarHBondContact O-N 3.11Å; L587-W591 WeakPolarHBondContact O-CB 3.19Å; L587-W591 PolarHBondContact O-N 3.29Å |
| 588 | G | 98.1 | Very high | 97 | Very high | 34 Ų | 34 | 79.3 Ų | 79.3 | 35% | 0.351 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | S584 K585 I586 K592 | S584-G588 PolarHBondContact O-N 3.05Å; S584-G588 VanDerWaalsContact O-N 3.12Å; K585-G588 PolarHBondContact O-N 3.02Å; I586-G588 PolarHBondContact O-N 3.43Å; G588-K592 PolarHBondContact O-N 2.8Å |
| 589 | S | 98.1 | Very high | 97.2 | Very high | 81 Ų | 81 | 77.3 Ų | 77.3 | 57% | 0.566 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68.3 | -52.1 | 175.6 | -166 | 0 | 0 | 0 | 0 | 112 | K585 I586 L587 W591 K592 S593 | K585-S589 PolarHBondContact O-N 3.06Å; I586-S589 PolarHBondContact O-N 3.35Å; L587-S589 VanDerWaalsContact C-N 3.31Å; L587-S589 PolarHBondContact O-N 2.93Å; S589-W591 PolarHBondContact O-N 2.66Å; S589-K592 WeakPolarHBondContact O-CA 3.36Å; S589-K592 WeakPolarHBondContact O-CB 3.5Å; S589-K592 PolarHBondContact O-N 3.1Å; S589-S593 PolarHBondContact O-N 3.06Å; S589-S593 PolarHBondContact O-OG 3.01Å |
| 590 | R | 97.8 | Very high | 97.3 | Very high | 130 Ų | 130 | 76 Ų | 76 | 49% | 0.491 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | -179 | -174.1 | -178.6 | -171.8 | 164.9 | 17.4 | 112.3 | W563 E567 I586 L587 K592 S593 M594 | W563-R590 HydrophobicContact CH2-CB 3.96Å; W563-R590 HydrophobicContact CH2-CG 4.2Å; W563-R590 HydrophobicContact CZ2-CB 4.16Å; W563-R590 HydrophobicContact CZ2-CG 3.86Å; E567-R590 IonicContact OE2-CZ 2.73Å; E567-R590 IonicContact OE2-NE 2.63Å; E567-R590 IonicContact OE2-NH1 2.7Å; E567-R590 PolarHBondContact OE2-NH1 3.01Å; I586-R590 PolarHBondContact O-N 2.86Å; L587-R590 PolarHBondContact O-N 3.11Å; R590-K592 VanDerWaalsContact C-N 3.32Å; R590-K592 PolarHBondContact O-N 3.33Å; R590-S593 PolarHBondContact O-N 3.41Å; R590-S593 PolarHBondContact O-OG 3.42Å; R590-M594 WeakPolarHBondContact O-CG 3.18Å; R590-M594 PolarHBondContact O-N 3.35Å |
| 591 | W | 98 | Very high | 97.5 | Very high | 35 Ų | 35 | 75.7 Ų | 75.7 | 13% | 0.133 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.6 | -35.7 | 171.9 | -179.4 | -98.5 | 0 | 0 | 0 | 112.4 | A559 F560 W563 L587 S589 M594 K599 Y602 Y603 | A559-W591 HydrophobicContact CB-CH2 3.92Å; A559-W591 HydrophobicContact CB-CZ2 4.13Å; F560-W591 HydrophobicContact CB-CD2 4.45Å; F560-W591 HydrophobicContact CD2-CB 3.73Å; F560-W591 AromaticContact CD2-CD1 3.87Å; F560-W591 AromaticContact CD2-CD2 3.93Å; F560-W591 HydrophobicContact CD2-CD2 3.93Å; F560-W591 AromaticContact CD2-CG 3.55Å; F560-W591 HydrophobicContact CD2-CG 3.55Å; F560-W591 HydrophobicContact CE2-CB 3.85Å; F560-W591 HydrophobicContact CE2-CG 4.19Å; W563-W591 HydrophobicContact CB-CE3 4.07Å; W563-W591 HydrophobicContact CB-CZ3 3.7Å; W563-W591 AromaticContact CD2-CE3 3.56Å; W563-W591 HydrophobicContact CD2-CE3 3.56Å; W563-W591 HydrophobicContact CD2-CZ3 4.08Å; W563-W591 HydrophobicContact CE3-CB 4.16Å; W563-W591 HydrophobicContact CE3-CD2 4.36Å; W563-W591 AromaticContact CE3-CE3 3.7Å; W563-W591 HydrophobicContact CE3-CE3 3.7Å; W563-W591 HydrophobicContact CE3-CZ3 4.5Å; W563-W591 AromaticContact CG-CE3 3.73Å; W563-W591 HydrophobicContact CG-CE3 3.73Å; W563-W591 AromaticContact CG-CZ3 3.73Å; W563-W591 HydrophobicContact CG-CZ3 3.73Å; W563-W591 HydrophobicContact CH2-CB 3.93Å; W563-W591 HydrophobicContact CZ3-CB 3.7Å; W563-W591 HydrophobicContact CZ3-CE3 4.39Å; L587-W591 WeakPolarHBondContact O-CB 3.19Å; L587-W591 PolarHBondContact O-N 3.29Å; S589-W591 PolarHBondContact O-N 2.66Å; W591-M594 HydrophobicContact CE3-CE 4.21Å; W591-M594 HydrophobicContact CE3-SD 4.04Å; W591-M594 HydrophobicContact CZ3-CE 4.2Å; W591-K599 HydrophobicContact CD2-CG 4.45Å; W591-K599 HydrophobicContact CE3-CG 4.28Å; W591-K599 HydrophobicContact CH2-CB 3.9Å; W591-K599 HydrophobicContact CH2-CD 4.46Å; W591-K599 HydrophobicContact CH2-CG 3.68Å; W591-K599 HydrophobicContact CZ2-CB 4.23Å; W591-K599 HydrophobicContact CZ2-CD 4.11Å; W591-K599 HydrophobicContact CZ2-CG 3.83Å; W591-K599 HydrophobicContact CZ3-CB 4.43Å; W591-K599 HydrophobicContact CZ3-CG 3.92Å; W591-K599 WeakPolarHBondContact O-CE 3.45Å; W591-K599 PolarHBondContact O-NZ 2.91Å; W591-Y602 HydrophobicContact CZ3-CD2 4.2Å; W591-Y602 HydrophobicContact CZ3-CG 4.37Å; W591-Y603 HydrophobicContact CZ2-CE2 4.49Å |
| 592 | K | 97.9 | Very high | 97.6 | Very high | 182 Ų | 182 | 76 Ų | 76 | 79% | 0.791 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.5 | -39.6 | 176.8 | -166.7 | -178.5 | 178.1 | -171.4 | 0 | 111.3 | G588 S589 R590 | G588-K592 PolarHBondContact O-N 2.8Å; S589-K592 WeakPolarHBondContact O-CA 3.36Å; S589-K592 WeakPolarHBondContact O-CB 3.5Å; S589-K592 PolarHBondContact O-N 3.1Å; R590-K592 VanDerWaalsContact C-N 3.32Å; R590-K592 PolarHBondContact O-N 3.33Å |
| 593 | S | 97.5 | Very high | 97.7 | Very high | 98 Ų | 98 | 77.8 Ų | 77.8 | 69% | 0.685 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -82.6 | -21.9 | -177.3 | 59 | 0 | 0 | 0 | 0 | 115.9 | S589 R590 | S589-S593 PolarHBondContact O-N 3.06Å; S589-S593 PolarHBondContact O-OG 3.01Å; R590-S593 PolarHBondContact O-N 3.41Å; R590-S593 PolarHBondContact O-OG 3.42Å |
| 594 | M | 97.2 | Very high | 97.7 | Very high | 31 Ų | 31 | 83 Ų | 83 | 15% | 0.153 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -53.6 | 147.6 | 171.8 | -80.6 | 165.8 | 71.1 | 0 | 0 | 112.4 | W563 R590 W591 D598 K599 Y602 | W563-M594 HydrophobicContact CD2-SD 4.37Å; W563-M594 HydrophobicContact CZ2-SD 3.61Å; W563-M594 PolarHBondContact NE1-SD 3.47Å; R590-M594 WeakPolarHBondContact O-CG 3.18Å; R590-M594 PolarHBondContact O-N 3.35Å; W591-M594 HydrophobicContact CE3-CE 4.21Å; W591-M594 HydrophobicContact CE3-SD 4.04Å; W591-M594 HydrophobicContact CZ3-CE 4.2Å; M594-D598 HydrophobicContact CB-CB 4.15Å; M594-D598 HydrophobicContact CE-CB 3.66Å; M594-D598 HydrophobicContact CG-CB 4.34Å; M594-K599 HydrophobicContact CB-CG 4.3Å; M594-K599 HydrophobicContact CE-CG 4.35Å; M594-K599 PolarHBondContact O-NZ 2.98Å; M594-Y602 HydrophobicContact CE-CE2 4.25Å |
| 595 | S | 98.1 | Very high | 97.7 | Very high | 49 Ų | 49 | 83.6 Ų | 83.6 | 34% | 0.343 | 42% | 0.421 | S | S | . | . | trans | -69.5 | 170.5 | 173.1 | 77.2 | 0 | 0 | 0 | 0 | 111.7 | Q597 D598 K599 | S595-Q597 VanDerWaalsContact C-N 3.32Å; S595-Q597 PolarHBondContact OG-N 2.99Å; S595-D598 WeakPolarHBondContact CA-OD2 3.31Å; S595-D598 WeakPolarHBondContact CB-OD2 3.36Å; S595-D598 PolarHBondContact N-OD2 2.91Å; S595-D598 PolarHBondContact OG-N 3.02Å; S595-D598 PolarHBondContact OG-OD2 3.49Å; S595-K599 WeakPolarHBondContact O-CD 3.48Å; S595-K599 VanDerWaalsContact O-CG 3.24Å; S595-K599 WeakPolarHBondContact O-CG 3.47Å; S595-K599 PolarHBondContact O-N 3.31Å | ||
| 596 | N | 96.4 | Very high | 97.7 | Very high | 121 Ų | 121 | 79.9 Ų | 79.9 | 65% | 0.647 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -71.4 | -29.3 | 172.9 | -71.2 | -14.7 | 0 | 0 | 0 | 112 | K599 Q600 | N596-K599 PolarHBondContact O-N 2.93Å; N596-Q600 PolarHBondContact O-N 3.23Å |
| 597 | Q | 97.6 | Very high | 97.8 | Very high | 167 Ų | 167 | 78.8 Ų | 78.8 | 78% | 0.78 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.2 | -44.9 | 173.5 | -71.5 | 175.4 | -32.4 | 0 | 0 | 111 | S595 K599 Q600 P601 | S595-Q597 VanDerWaalsContact C-N 3.32Å; S595-Q597 PolarHBondContact OG-N 2.99Å; Q597-K599 PolarHBondContact O-N 3.45Å; Q597-Q600 WeakPolarHBondContact O-CB 3.45Å; Q597-Q600 PolarHBondContact O-N 3.44Å; Q597-P601 WeakPolarHBondContact O-CD 3.49Å |
| 598 | D | 96.7 | Very high | 97.8 | Very high | 84 Ų | 84 | 85.1 Ų | 85.1 | 45% | 0.449 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.7 | -28.1 | 175.7 | -53.3 | -52.7 | 0 | 0 | 0 | 112.7 | M594 S595 Y602 | M594-D598 HydrophobicContact CB-CB 4.15Å; M594-D598 HydrophobicContact CE-CB 3.66Å; M594-D598 HydrophobicContact CG-CB 4.34Å; S595-D598 WeakPolarHBondContact CA-OD2 3.31Å; S595-D598 WeakPolarHBondContact CB-OD2 3.36Å; S595-D598 PolarHBondContact N-OD2 2.91Å; S595-D598 PolarHBondContact OG-N 3.02Å; S595-D598 PolarHBondContact OG-OD2 3.49Å; D598-Y602 VanDerWaalsContact O-CD2 3.27Å; D598-Y602 WeakPolarHBondContact O-CD2 3.1Å; D598-Y602 WeakPolarHBondContact O-CE2 3.3Å |
| 599 | K | 97.8 | Very high | 97.8 | Very high | 18 Ų | 18 | 85.2 Ų | 85.2 | 8% | 0.078 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -84.5 | -26 | 179.7 | -69.3 | 166.2 | 174.1 | 140.1 | 0 | 113 | W591 M594 S595 N596 Q597 Y602 Y603 | W591-K599 HydrophobicContact CD2-CG 4.45Å; W591-K599 HydrophobicContact CE3-CG 4.28Å; W591-K599 HydrophobicContact CH2-CB 3.9Å; W591-K599 HydrophobicContact CH2-CD 4.46Å; W591-K599 HydrophobicContact CH2-CG 3.68Å; W591-K599 HydrophobicContact CZ2-CB 4.23Å; W591-K599 HydrophobicContact CZ2-CD 4.11Å; W591-K599 HydrophobicContact CZ2-CG 3.83Å; W591-K599 HydrophobicContact CZ3-CB 4.43Å; W591-K599 HydrophobicContact CZ3-CG 3.92Å; W591-K599 WeakPolarHBondContact O-CE 3.45Å; W591-K599 PolarHBondContact O-NZ 2.91Å; M594-K599 HydrophobicContact CB-CG 4.3Å; M594-K599 HydrophobicContact CE-CG 4.35Å; M594-K599 PolarHBondContact O-NZ 2.98Å; S595-K599 WeakPolarHBondContact O-CD 3.48Å; S595-K599 VanDerWaalsContact O-CG 3.24Å; S595-K599 WeakPolarHBondContact O-CG 3.47Å; S595-K599 PolarHBondContact O-N 3.31Å; N596-K599 PolarHBondContact O-N 2.93Å; Q597-K599 PolarHBondContact O-N 3.45Å; K599-Y602 WeakPolarHBondContact O-CB 3.45Å; K599-Y602 PolarHBondContact O-N 3.14Å; K599-Y603 HydrophobicContact CB-CD2 3.96Å; K599-Y603 HydrophobicContact CB-CE2 3.62Å; K599-Y603 HydrophobicContact CD-CE2 4.45Å; K599-Y603 WeakPolarHBondContact O-CD2 3.35Å; K599-Y603 PolarHBondContact O-N 2.81Å; K599-Y603 VanDerWaalsContact O-N 3.13Å |
| 600 | Q | 97.9 | Very high | 97.7 | Very high | 93 Ų | 93 | 84.1 Ų | 84.1 | 44% | 0.435 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -50 | -52.7 | -174.2 | -174.7 | 61.2 | 19.1 | 0 | 0 | 114.2 | N596 Q597 Y602 Y603 E604 | N596-Q600 PolarHBondContact O-N 3.23Å; Q597-Q600 WeakPolarHBondContact O-CB 3.45Å; Q597-Q600 PolarHBondContact O-N 3.44Å; Q600-Y602 PolarHBondContact O-N 2.97Å; Q600-Y602 VanDerWaalsContact O-N 3.14Å; Q600-Y603 WeakPolarHBondContact O-CB 3.34Å; Q600-Y603 PolarHBondContact O-N 2.81Å; Q600-E604 WeakPolarHBondContact CG-OE1 3.26Å; Q600-E604 PolarHBondContact NE2-OE1 2.65Å; Q600-E604 PolarHBondContact O-N 3.26Å |
| 601 | P | 98.1 | Very high | 97.7 | Very high | 67 Ų | 67 | 85.1 Ų | 85.1 | 44% | 0.435 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.8 | -27 | 180 | 23.6 | -34.7 | 0 | 0 | 0 | 113.2 | Q597 E605 | Q597-P601 WeakPolarHBondContact O-CD 3.49Å; P601-E605 WeakPolarHBondContact O-CB 3.12Å; P601-E605 PolarHBondContact O-N 3.48Å |
| 602 | Y | 98.1 | Very high | 97.7 | Very high | 75 Ų | 75 | 87.4 Ų | 87.4 | 29% | 0.294 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -79.6 | -26.3 | 176.3 | -53.9 | -77.2 | 0 | 0 | 0 | 112.7 | A559 V562 W563 W591 M594 D598 K599 Q600 Q606 | A559-Y602 WeakPolarHBondContact CA-O 3.38Å; A559-Y602 WeakPolarHBondContact CB-O 3.32Å; V562-Y602 HydrophobicContact CG1-CD1 4.01Å; W563-Y602 HydrophobicContact CB-CD1 3.64Å; W563-Y602 HydrophobicContact CB-CD2 4.3Å; W563-Y602 HydrophobicContact CB-CE1 3.87Å; W563-Y602 HydrophobicContact CB-CG 3.87Å; W563-Y602 AromaticContact CD1-CE1 3.98Å; W563-Y602 AromaticContact CD1-CE2 3.7Å; W563-Y602 AromaticContact CD1-CZ 3.6Å; W563-Y602 HydrophobicContact CG-CD1 4.49Å; W563-Y602 HydrophobicContact CG-CE1 4.36Å; W563-Y602 HydrophobicContact CG-CE2 4.47Å; W591-Y602 HydrophobicContact CZ3-CD2 4.2Å; W591-Y602 HydrophobicContact CZ3-CG 4.37Å; M594-Y602 HydrophobicContact CE-CE2 4.25Å; D598-Y602 VanDerWaalsContact O-CD2 3.27Å; D598-Y602 WeakPolarHBondContact O-CD2 3.1Å; D598-Y602 WeakPolarHBondContact O-CE2 3.3Å; K599-Y602 WeakPolarHBondContact O-CB 3.45Å; K599-Y602 PolarHBondContact O-N 3.14Å; Q600-Y602 PolarHBondContact O-N 2.97Å; Q600-Y602 VanDerWaalsContact O-N 3.14Å; Y602-Q606 WeakPolarHBondContact O-CB 3.39Å; Y602-Q606 PolarHBondContact O-N 3.09Å |
| 603 | Y | 98.1 | Very high | 97.7 | Very high | 101 Ų | 101 | 79.8 Ų | 79.8 | 40% | 0.396 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -72.2 | -38 | 168.6 | -74.3 | -62.8 | 0 | 0 | 0 | 111.8 | A559 W591 K599 Q600 Q606 A607 | A559-Y603 HydrophobicContact CB-CD1 3.62Å; A559-Y603 HydrophobicContact CB-CE1 3.88Å; A559-Y603 HydrophobicContact CB-CG 4.13Å; W591-Y603 HydrophobicContact CZ2-CE2 4.49Å; K599-Y603 HydrophobicContact CB-CD2 3.96Å; K599-Y603 HydrophobicContact CB-CE2 3.62Å; K599-Y603 HydrophobicContact CD-CE2 4.45Å; K599-Y603 WeakPolarHBondContact O-CD2 3.35Å; K599-Y603 PolarHBondContact O-N 2.81Å; K599-Y603 VanDerWaalsContact O-N 3.13Å; Q600-Y603 WeakPolarHBondContact O-CB 3.34Å; Q600-Y603 PolarHBondContact O-N 2.81Å; Y603-Q606 WeakPolarHBondContact O-CB 3.3Å; Y603-Q606 PolarHBondContact O-N 3.36Å; Y603-A607 PolarHBondContact O-N 3.23Å |
| 604 | E | 98.1 | Very high | 97.6 | Very high | 110 Ų | 110 | 80.2 Ų | 80.2 | 51% | 0.514 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 173.9 | -70.7 | 167.3 | -171.9 | 0 | 0 | 111.4 | Q600 Q606 A607 R608 | Q600-E604 WeakPolarHBondContact CG-OE1 3.26Å; Q600-E604 PolarHBondContact NE2-OE1 2.65Å; Q600-E604 PolarHBondContact O-N 3.26Å; E604-Q606 VanDerWaalsContact C-N 3.34Å; E604-Q606 PolarHBondContact O-N 2.84Å; E604-A607 WeakPolarHBondContact O-CB 3.49Å; E604-A607 PolarHBondContact O-N 2.94Å; E604-R608 PolarHBondContact O-N 2.99Å |
| 605 | E | 97.8 | Very high | 97.6 | Very high | 54 Ų | 54 | 85.1 Ų | 85.1 | 25% | 0.252 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.7 | -36 | 173.8 | 177.9 | 57.3 | -169.2 | 0 | 0 | 112 | V562 P601 A607 R608 L609 | V562-E605 HydrophobicContact CG1-CB 4.28Å; V562-E605 HydrophobicContact CG1-CG 3.64Å; V562-E605 HydrophobicContact CG2-CG 4.24Å; P601-E605 WeakPolarHBondContact O-CB 3.12Å; P601-E605 PolarHBondContact O-N 3.48Å; E605-A607 VanDerWaalsContact C-N 3.34Å; E605-A607 PolarHBondContact O-N 3.19Å; E605-R608 PolarHBondContact O-N 2.95Å; E605-R608 IonicContact OE1-CZ 3.01Å; E605-R608 IonicContact OE1-NE 3.81Å; E605-R608 IonicContact OE1-NH2 2.74Å; E605-R608 PolarHBondContact OE1-NH2 2.81Å; E605-R608 IonicContact OE2-CZ 3.67Å; E605-R608 IonicContact OE2-NE 3.75Å; E605-R608 PolarHBondContact OE2-NE 3.38Å; E605-R608 IonicContact OE2-NH2 2.74Å; E605-R608 PolarHBondContact OE2-NH2 3.11Å; E605-L609 HydrophobicContact CG-CD1 4.03Å; E605-L609 HydrophobicContact CG-CG 4.35Å; E605-L609 VanDerWaalsContact O-CB 3.32Å; E605-L609 WeakPolarHBondContact O-CB 3.31Å; E605-L609 VanDerWaalsContact O-CG 3.23Å; E605-L609 WeakPolarHBondContact O-CG 3.44Å; E605-L609 PolarHBondContact O-N 3.01Å; E605-L609 WeakPolarHBondContact OE1-CD1 3.16Å; E605-L609 VanDerWaalsContact OE1-CG 3.31Å; E605-L609 WeakPolarHBondContact OE1-CG 3.32Å |
| 606 | Q | 97.9 | Very high | 97.6 | Very high | 65 Ų | 65 | 89.6 Ų | 89.6 | 30% | 0.304 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 168.5 | 174.3 | -170.4 | -79.4 | 0 | 0 | 111.3 | N558 A559 Y602 Y603 E604 L609 S610 | N558-Q606 VanDerWaalsContact CB-OE1 3.28Å; A559-Q606 HydrophobicContact CB-CB 4.23Å; Y602-Q606 WeakPolarHBondContact O-CB 3.39Å; Y602-Q606 PolarHBondContact O-N 3.09Å; Y603-Q606 WeakPolarHBondContact O-CB 3.3Å; Y603-Q606 PolarHBondContact O-N 3.36Å; E604-Q606 VanDerWaalsContact C-N 3.34Å; E604-Q606 PolarHBondContact O-N 2.84Å; Q606-L609 PolarHBondContact O-N 3.47Å; Q606-S610 VanDerWaalsContact O-CB 3.25Å; Q606-S610 WeakPolarHBondContact O-CB 3.43Å; Q606-S610 PolarHBondContact O-N 3.35Å |
| 607 | A | 97.9 | Very high | 97.5 | Very high | 58 Ų | 58 | 87.9 Ų | 87.9 | 48% | 0.479 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y603 E604 E605 S610 K611 | Y603-A607 PolarHBondContact O-N 3.23Å; E604-A607 WeakPolarHBondContact O-CB 3.49Å; E604-A607 PolarHBondContact O-N 2.94Å; E605-A607 VanDerWaalsContact C-N 3.34Å; E605-A607 PolarHBondContact O-N 3.19Å; A607-S610 PolarHBondContact O-N 2.95Å; A607-K611 PolarHBondContact O-N 2.98Å |
| 608 | R | 98.4 | Very high | 97.4 | Very high | 135 Ų | 135 | 84.5 Ų | 84.5 | 51% | 0.509 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | 175.3 | -164.4 | -169.1 | 69.2 | 90.6 | 4.3 | 111.9 | E604 E605 S610 K611 L612 | E604-R608 PolarHBondContact O-N 2.99Å; E605-R608 PolarHBondContact O-N 2.95Å; E605-R608 IonicContact OE1-CZ 3.01Å; E605-R608 IonicContact OE1-NE 3.81Å; E605-R608 IonicContact OE1-NH2 2.74Å; E605-R608 PolarHBondContact OE1-NH2 2.81Å; E605-R608 IonicContact OE2-CZ 3.67Å; E605-R608 IonicContact OE2-NE 3.75Å; E605-R608 PolarHBondContact OE2-NE 3.38Å; E605-R608 IonicContact OE2-NH2 2.74Å; E605-R608 PolarHBondContact OE2-NH2 3.11Å; R608-S610 VanDerWaalsContact C-N 3.31Å; R608-S610 PolarHBondContact O-N 2.95Å; R608-K611 PolarHBondContact O-N 2.91Å; R608-L612 WeakPolarHBondContact O-CB 3.36Å; R608-L612 PolarHBondContact O-N 3.21Å |
| 609 | L | 97.8 | Very high | 97.2 | Very high | 35 Ų | 35 | 88.1 Ų | 88.1 | 18% | 0.183 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 175.9 | -71 | 173.2 | 0 | 0 | 0 | 112.3 | P556 M557 V562 E605 Q606 H613 | P556-L609 HydrophobicContact CB-CB 4.49Å; M557-L609 HydrophobicContact CB-CD1 4.41Å; M557-L609 HydrophobicContact CE-CD1 4.08Å; V562-L609 HydrophobicContact CG2-CD1 3.73Å; E605-L609 HydrophobicContact CG-CD1 4.03Å; E605-L609 HydrophobicContact CG-CG 4.35Å; E605-L609 VanDerWaalsContact O-CB 3.32Å; E605-L609 WeakPolarHBondContact O-CB 3.31Å; E605-L609 VanDerWaalsContact O-CG 3.23Å; E605-L609 WeakPolarHBondContact O-CG 3.44Å; E605-L609 PolarHBondContact O-N 3.01Å; E605-L609 WeakPolarHBondContact OE1-CD1 3.16Å; E605-L609 VanDerWaalsContact OE1-CG 3.31Å; E605-L609 WeakPolarHBondContact OE1-CG 3.32Å; Q606-L609 PolarHBondContact O-N 3.47Å; L609-H613 WeakPolarHBondContact O-CB 3.44Å; L609-H613 PolarHBondContact O-N 2.96Å |
| 610 | S | 97.2 | Very high | 97.1 | Very high | 59 Ų | 59 | 90.2 Ų | 90.2 | 41% | 0.413 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.1 | -38 | 176.6 | -167.6 | 0 | 0 | 0 | 0 | 112.4 | Q606 A607 R608 L614 | Q606-S610 VanDerWaalsContact O-CB 3.25Å; Q606-S610 WeakPolarHBondContact O-CB 3.43Å; Q606-S610 PolarHBondContact O-N 3.35Å; A607-S610 PolarHBondContact O-N 2.95Å; R608-S610 VanDerWaalsContact C-N 3.31Å; R608-S610 PolarHBondContact O-N 2.95Å; S610-L614 PolarHBondContact O-N 3.48Å; S610-L614 VanDerWaalsContact O-N 3.09Å |
| 611 | K | 97.7 | Very high | 96.8 | Very high | 151 Ų | 151 | 92.9 Ų | 92.9 | 66% | 0.657 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.7 | -55.9 | 172.5 | -178.3 | -173.6 | 172.9 | -172.1 | 0 | 110.2 | A607 R608 H613 L614 E615 | A607-K611 PolarHBondContact O-N 2.98Å; R608-K611 PolarHBondContact O-N 2.91Å; K611-H613 PolarHBondContact O-N 3.09Å; K611-L614 PolarHBondContact O-N 3.03Å; K611-E615 WeakPolarHBondContact O-CB 3.45Å; K611-E615 PolarHBondContact O-N 3.34Å |
| 612 | L | 97.7 | Very high | 96.6 | Very high | 82 Ų | 82 | 95.3 Ų | 95.3 | 43% | 0.429 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57.4 | -34.1 | 179.4 | -178.9 | 63.1 | 0 | 0 | 0 | 112.3 | R608 K616 | R608-L612 WeakPolarHBondContact O-CB 3.36Å; R608-L612 PolarHBondContact O-N 3.21Å; L612-K616 WeakPolarHBondContact O-CB 3.19Å; L612-K616 PolarHBondContact O-N 3.46Å |
| 613 | H | 97.8 | Very high | 96.2 | Very high | 22 Ų | 22 | 99.9 Ų | 99.9 | 10% | 0.102 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -70.4 | -41.7 | 175.3 | -173.1 | 85.5 | 0 | 0 | 0 | 113.1 | I553 K554 P556 L609 K611 Y617 Y620 | I553-H613 WeakPolarHBondContact CG2-CE1 3.33Å; K554-H613 PolarHBondContact O-CE1 2.88Å; P556-H613 HydrophobicContact CB-CB 4.01Å; P556-H613 HydrophobicContact CG-CB 4.15Å; L609-H613 WeakPolarHBondContact O-CB 3.44Å; L609-H613 PolarHBondContact O-N 2.96Å; K611-H613 PolarHBondContact O-N 3.09Å; H613-Y617 AromaticContact CE1-CD2 3.5Å; H613-Y617 VanDerWaalsContact CE1-CD2 3.5Å; H613-Y617 WeakPolarHBondContact CE1-CD2 3.4Å; H613-Y617 AromaticContact CE1-CE2 3.89Å; H613-Y617 AromaticContact ND1-CD2 3.63Å; H613-Y617 AromaticContact ND1-CE2 3.87Å; H613-Y617 AromaticContact NE2-CD2 3.98Å; H613-Y617 WeakPolarHBondContact O-CB 3.41Å; H613-Y617 WeakPolarHBondContact O-CD2 3.46Å; H613-Y617 PolarHBondContact O-N 3.05Å; H613-Y620 AromaticContact CD2-CD1 3.9Å; H613-Y620 AromaticContact NE2-CD1 3.49Å; H613-Y620 WeakPolarHBondContact NE2-CD1 3.28Å; H613-Y620 AromaticContact NE2-CD2 3.81Å; H613-Y620 AromaticContact NE2-CE1 3.8Å; H613-Y620 AromaticContact NE2-CG 3.49Å |
| 614 | L | 96.4 | Very high | 95.6 | Very high | 108 Ų | 108 | 98.9 Ų | 98.9 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -68 | -39 | 176.7 | -177.4 | 62.6 | 0 | 0 | 0 | 111.3 | S610 K611 Y617 P618 | S610-L614 PolarHBondContact O-N 3.48Å; S610-L614 VanDerWaalsContact O-N 3.09Å; K611-L614 PolarHBondContact O-N 3.03Å; L614-Y617 CarbonylContact O-C 3.43Å; L614-Y617 PolarHBondContact O-N 3Å; L614-P618 WeakPolarHBondContact O-CA 3.49Å; L614-P618 VanDerWaalsContact O-N 3.07Å |
| 615 | E | 97.1 | Very high | 94.9 | Very high | 133 Ų | 133 | 100.9 Ų | 100.9 | 62% | 0.621 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.1 | -47.7 | 175.6 | -176.9 | 176.4 | 172.5 | 0 | 0 | 112 | K611 Y617 | K611-E615 WeakPolarHBondContact O-CB 3.45Å; K611-E615 PolarHBondContact O-N 3.34Å; E615-Y617 VanDerWaalsContact C-N 3.32Å; E615-Y617 PolarHBondContact O-N 2.78Å |
| 616 | K | 97 | Very high | 94.2 | Very high | 144 Ų | 144 | 103.6 Ų | 103.6 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.2 | -23.5 | 177.5 | -171.3 | 162.6 | -175.3 | 157.6 | 0 | 113.6 | L612 | L612-K616 WeakPolarHBondContact O-CB 3.19Å; L612-K616 PolarHBondContact O-N 3.46Å |
| 617 | Y | 95.2 | Very high | 93.2 | Very high | 84 Ų | 84 | 108.9 Ų | 108.9 | 33% | 0.329 | 53% | 0.527 | S | S | . | . | trans | -137.9 | 69.4 | -178.1 | -50.8 | -71.3 | 0 | 0 | 0 | 111.5 | I553 H613 L614 E615 N619 Y620 | I553-Y617 HydrophobicContact CD1-CD1 3.58Å; I553-Y617 HydrophobicContact CD1-CE1 4.14Å; I553-Y617 HydrophobicContact CD1-CG 4.02Å; I553-Y617 HydrophobicContact CG1-CD1 3.95Å; I553-Y617 HydrophobicContact CG1-CE1 4.03Å; I553-Y617 HydrophobicContact CG1-CG 4.41Å; I553-Y617 HydrophobicContact CG2-CD1 4.27Å; I553-Y617 HydrophobicContact CG2-CD2 3.81Å; I553-Y617 HydrophobicContact CG2-CE2 4.07Å; I553-Y617 HydrophobicContact CG2-CG 3.92Å; H613-Y617 AromaticContact CE1-CD2 3.5Å; H613-Y617 VanDerWaalsContact CE1-CD2 3.5Å; H613-Y617 WeakPolarHBondContact CE1-CD2 3.4Å; H613-Y617 AromaticContact CE1-CE2 3.89Å; H613-Y617 AromaticContact ND1-CD2 3.63Å; H613-Y617 AromaticContact ND1-CE2 3.87Å; H613-Y617 AromaticContact NE2-CD2 3.98Å; H613-Y617 WeakPolarHBondContact O-CB 3.41Å; H613-Y617 WeakPolarHBondContact O-CD2 3.46Å; H613-Y617 PolarHBondContact O-N 3.05Å; L614-Y617 CarbonylContact O-C 3.43Å; L614-Y617 PolarHBondContact O-N 3Å; E615-Y617 VanDerWaalsContact C-N 3.32Å; E615-Y617 PolarHBondContact O-N 2.78Å; Y617-N619 PolarHBondContact O-N 2.8Å; Y617-N619 VanDerWaalsContact O-N 3.13Å; Y617-Y620 WeakPolarHBondContact O-CB 3.15Å; Y617-Y620 PolarHBondContact O-N 3.49Å | ||
| 618 | P | 94.9 | Very high | 92.3 | Very high | 96 Ų | 96 | 113.4 Ų | 113.4 | 62% | 0.623 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.6 | -175.2 | 23.6 | -34.3 | 0 | 0 | 0 | 113.2 | L614 Y620 | L614-P618 WeakPolarHBondContact O-CA 3.49Å; L614-P618 VanDerWaalsContact O-N 3.07Å; P618-Y620 VanDerWaalsContact C-N 3.33Å |
| 619 | N | 92.3 | Very high | 91.5 | Very high | 161 Ų | 161 | 110.2 Ų | 110.2 | 86% | 0.861 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 4.6 | 175.4 | -68.8 | -40.6 | 0 | 0 | 0 | 113.9 | Y617 K621 | Y617-N619 PolarHBondContact O-N 2.8Å; Y617-N619 VanDerWaalsContact O-N 3.13Å; N619-K621 PolarHBondContact O-N 2.84Å |
| 620 | Y | 95.1 | Very high | 90.6 | Very high | 62 Ų | 62 | 109.9 Ų | 109.9 | 24% | 0.243 | 53% | 0.528 | C | S | . | . | trans | -67.9 | 119.4 | 178.5 | 173.1 | -98.5 | 0 | 0 | 0 | 111.3 | I553 H613 Y617 P618 | I553-Y620 HydrophobicContact CB-CD2 4.04Å; I553-Y620 HydrophobicContact CB-CE2 4.45Å; I553-Y620 HydrophobicContact CG2-CD2 3.52Å; I553-Y620 HydrophobicContact CG2-CE2 4.01Å; I553-Y620 HydrophobicContact CG2-CG 4.27Å; H613-Y620 AromaticContact CD2-CD1 3.9Å; H613-Y620 AromaticContact NE2-CD1 3.49Å; H613-Y620 WeakPolarHBondContact NE2-CD1 3.28Å; H613-Y620 AromaticContact NE2-CD2 3.81Å; H613-Y620 AromaticContact NE2-CE1 3.8Å; H613-Y620 AromaticContact NE2-CG 3.49Å; Y617-Y620 WeakPolarHBondContact O-CB 3.15Å; Y617-Y620 PolarHBondContact O-N 3.49Å; P618-Y620 VanDerWaalsContact C-N 3.33Å | ||
| 621 | K | 92.6 | Very high | 89.9 | Confident | 148 Ų | 148 | 112.5 Ų | 112.5 | 64% | 0.643 | 54% | 0.536 | S | S | * | . | trans | -124 | 122.4 | 172.5 | -171.8 | 165 | -174.2 | 168 | 0 | 109.9 | N619 K623 | N619-K621 PolarHBondContact O-N 2.84Å; K621-K623 PolarHBondContact O-N 3.5Å | ||
| 622 | Y | 94 | Very high | 88.9 | Confident | 118 Ų | 118 | 106.8 Ų | 106.8 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | trans | -61.9 | 109.3 | 175.4 | 172.4 | -136.4 | 0 | 0 | 0 | 110.6 | R555 P624 | R555-Y622 VanDerWaalsContact NH1-CZ 3.27Å; R555-Y622 PolarHBondContact NH1-OH 2.97Å; R555-Y622 VanDerWaalsContact NH2-CZ 3.33Å; R555-Y622 PolarHBondContact NH2-OH 3.35Å; Y622-P624 HydrophobicContact CE1-CB 4.36Å; Y622-P624 HydrophobicContact CE1-CG 4.42Å; Y622-P624 HydrophobicContact CE2-CB 4.06Å; Y622-P624 VanDerWaalsContact O-CD 3.32Å; Y622-P624 WeakPolarHBondContact O-CD 3.35Å | ||
| 623 | K | 88.6 | Confident | 87.9 | Confident | 172 Ų | 172 | 109 Ų | 109 | 75% | 0.748 | 53% | 0.525 | S | S | * | . | trans | -108.5 | 90.1 | 176.9 | -70.3 | 166.4 | -174.5 | 172.9 | 0 | 108.6 | K621 R625 | K621-K623 PolarHBondContact O-N 3.5Å; K623-R625 PolarHBondContact O-N 3.46Å | ||
| 624 | P | 87.3 | Confident | 87.2 | Confident | 80 Ų | 80 | 111.4 Ų | 111.4 | 52% | 0.519 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 123.8 | 177.4 | 21.2 | -31.9 | 0 | 0 | 0 | 110.5 | Y622 P626 | Y622-P624 HydrophobicContact CE1-CB 4.36Å; Y622-P624 HydrophobicContact CE1-CG 4.42Å; Y622-P624 HydrophobicContact CE2-CB 4.06Å; Y622-P624 VanDerWaalsContact O-CD 3.32Å; Y622-P624 WeakPolarHBondContact O-CD 3.35Å; P624-P626 WeakPolarHBondContact O-CD 3.46Å |
| 625 | R | 83.4 | Confident | 86.7 | Confident | 152 Ų | 152 | 113.9 Ų | 113.9 | 57% | 0.574 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 126.3 | 175.6 | -169.2 | -174.6 | -175.1 | -170.2 | 7 | 109.3 | K623 K627 | K623-R625 PolarHBondContact O-N 3.46Å; R625-K627 PolarHBondContact O-N 3.2Å |
| 626 | P | 81.5 | Confident | 85.9 | Confident | 111 Ų | 111 | 115.1 Ų | 115.1 | 72% | 0.721 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 134.8 | 171.3 | -27.1 | 35.8 | 0 | 0 | 0 | 111.2 | P624 R628 | P624-P626 WeakPolarHBondContact O-CD 3.46Å; P626-R628 PolarHBondContact O-N 3.42Å |
| 627 | K | 77.1 | Confident | 85.3 | Confident | 175 Ų | 175 | 110.1 Ų | 110.1 | 76% | 0.761 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 128.1 | 174.9 | -68.3 | 179.7 | -179.5 | 175.1 | 0 | 108.1 | R625 T629 | R625-K627 PolarHBondContact O-N 3.2Å; K627-T629 PolarHBondContact O-N 3.25Å |
| 628 | R | 79.9 | Confident | 84.9 | Confident | 153 Ų | 153 | 113.4 Ų | 113.4 | 58% | 0.577 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 133 | 174.6 | -77.7 | 177.4 | 165.7 | 141.2 | -9 | 109.3 | P626 I639 | P626-R628 PolarHBondContact O-N 3.42Å; R628-I639 WeakPolarHBondContact O-CB 3.4Å; R628-I639 PolarHBondContact O-N 2.96Å |
| 629 | T | 81.1 | Confident | 84.4 | Confident | 69 Ų | 69 | 112.2 Ų | 112.2 | 42% | 0.423 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 156.8 | 159.7 | 46 | 0 | 0 | 0 | 0 | 109.1 | K627 L637 R638 | K627-T629 PolarHBondContact O-N 3.25Å; T629-L637 CarbonylContact C-O 3.57Å; T629-L637 WeakPolarHBondContact CA-O 3.36Å; T629-L637 VanDerWaalsContact CB-O 3.23Å; T629-L637 WeakPolarHBondContact CB-O 3.43Å; T629-R638 HydrophobicContact CG2-CG 4.38Å |
| 630 | C | 79.3 | Confident | 84.1 | Confident | 27 Ų | 27 | 106.6 Ų | 106.6 | 18% | 0.182 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 147.4 | 173.6 | 45.6 | 0 | 0 | 0 | 0 | 107.5 | I632 L637 I639 Y642 | C630-I632 HydrophobicContact CB-CD1 4.05Å; C630-I632 VanDerWaalsContact SG-CD1 3.6Å; C630-L637 PolarHBondContact N-O 3.27Å; C630-L637 PolarHBondContact O-N 3.38Å; C630-L637 VanDerWaalsContact O-O 3.12Å; C630-I639 HydrophobicContact CB-CD1 4.18Å; C630-Y642 WeakPolarHBondContact SG-CB 3.39Å; C630-Y642 VanDerWaalsContact SG-CG 3.56Å |
| 631 | I | 81.3 | Confident | 83.7 | Confident | 114 Ų | 114 | 106.8 Ų | 106.8 | 59% | 0.585 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.7 | 179.7 | -59.5 | 172.7 | 0 | 0 | 0 | 107.8 | K635 K636 | I631-K635 WeakPolarHBondContact CA-O 3.27Å; I631-K636 HydrophobicContact CG1-CB 4.31Å; I631-K636 HydrophobicContact CG1-CG 4.07Å |
| 632 | I | 77.9 | Confident | 83.5 | Confident | 31 Ų | 31 | 103.7 Ų | 103.7 | 16% | 0.159 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 130.7 | 175 | -59 | 91.1 | 0 | 0 | 0 | 105.9 | C630 G634 K635 L637 Y642 M645 | C630-I632 HydrophobicContact CB-CD1 4.05Å; C630-I632 VanDerWaalsContact SG-CD1 3.6Å; I632-G634 PolarHBondContact O-N 3.26Å; I632-K635 PolarHBondContact N-O 3Å; I632-K635 WeakPolarHBondContact O-CA 3.3Å; I632-K635 WeakPolarHBondContact O-CB 3.44Å; I632-K635 PolarHBondContact O-N 3.49Å; I632-L637 HydrophobicContact CD1-CB 4.25Å; I632-L637 HydrophobicContact CD1-CD2 4.3Å; I632-Y642 HydrophobicContact CD1-CD2 3.32Å; I632-Y642 HydrophobicContact CD1-CE2 3.85Å; I632-Y642 HydrophobicContact CD1-CG 3.91Å; I632-Y642 HydrophobicContact CG1-CD2 3.72Å; I632-Y642 HydrophobicContact CG1-CE2 3.81Å; I632-M645 HydrophobicContact CB-CE 4.33Å; I632-M645 HydrophobicContact CG2-CE 4.04Å; I632-M645 HydrophobicContact CG2-SD 4.09Å |
| 633 | D | 77.4 | Confident | 83.3 | Confident | 130 Ų | 130 | 104.6 Ų | 104.6 | 70% | 0.695 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 42.5 | 180 | -45.1 | -29.1 | 0 | 0 | 0 | 112.8 | K635 | D633-K635 PolarHBondContact O-N 3.49Š|
| 634 | G | 82.9 | Confident | 83.4 | Confident | 72 Ų | 72 | 102.5 Ų | 102.5 | 74% | 0.742 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | -15.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | I632 | I632-G634 PolarHBondContact O-N 3.26Š|
| 635 | K | 84.4 | Confident | 83.5 | Confident | 159 Ų | 159 | 101.7 Ų | 101.7 | 69% | 0.691 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.3 | -174.4 | -64.9 | 169.1 | -174.8 | 173.2 | 0 | 111.2 | I631 I632 D633 L637 | I631-K635 WeakPolarHBondContact CA-O 3.27Å; I632-K635 PolarHBondContact N-O 3Å; I632-K635 WeakPolarHBondContact O-CA 3.3Å; I632-K635 WeakPolarHBondContact O-CB 3.44Å; I632-K635 PolarHBondContact O-N 3.49Å; D633-K635 PolarHBondContact O-N 3.49Å; K635-L637 PolarHBondContact O-N 3.05Å |
| 636 | K | 81.2 | Confident | 83.8 | Confident | 159 Ų | 159 | 97.7 Ų | 97.7 | 69% | 0.691 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 92 | -175.6 | -162.4 | 171.6 | -166.5 | 171.5 | 0 | 110.8 | I631 | I631-K636 HydrophobicContact CG1-CB 4.31Å; I631-K636 HydrophobicContact CG1-CG 4.07Å |
| 637 | L | 84.3 | Confident | 84.3 | Confident | 39 Ų | 39 | 100.3 Ų | 100.3 | 20% | 0.204 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 146.1 | -167.8 | -160.2 | 61.5 | 0 | 0 | 0 | 111.5 | T629 C630 I632 K635 E641 M645 | T629-L637 CarbonylContact C-O 3.57Å; T629-L637 WeakPolarHBondContact CA-O 3.36Å; T629-L637 VanDerWaalsContact CB-O 3.23Å; T629-L637 WeakPolarHBondContact CB-O 3.43Å; C630-L637 PolarHBondContact N-O 3.27Å; C630-L637 PolarHBondContact O-N 3.38Å; C630-L637 VanDerWaalsContact O-O 3.12Å; I632-L637 HydrophobicContact CD1-CB 4.25Å; I632-L637 HydrophobicContact CD1-CD2 4.3Å; K635-L637 PolarHBondContact O-N 3.05Å; L637-E641 HydrophobicContact CD1-CB 3.59Å; L637-E641 HydrophobicContact CD1-CG 4.26Å; L637-E641 HydrophobicContact CD2-CB 4.18Å; L637-E641 HydrophobicContact CG-CB 3.62Å; L637-M645 HydrophobicContact CD2-CE 3.64Å; L637-M645 HydrophobicContact CD2-SD 4.44Å |
| 638 | R | 86.3 | Confident | 85 | Confident | 154 Ų | 154 | 95.4 Ų | 95.4 | 58% | 0.581 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 151.3 | 173.1 | -52.6 | -174.2 | -165 | 116.8 | -9.8 | 110.1 | T629 G640 E641 Y642 | T629-R638 HydrophobicContact CG2-CG 4.38Å; R638-G640 PolarHBondContact O-N 3.15Å; R638-E641 WeakPolarHBondContact CB-OE1 3.42Å; R638-E641 VanDerWaalsContact CB-OE2 3.25Å; R638-E641 WeakPolarHBondContact CB-OE2 3.41Å; R638-E641 WeakPolarHBondContact CD-OE1 3.23Å; R638-E641 VanDerWaalsContact CG-OE1 3.26Å; R638-E641 WeakPolarHBondContact CG-OE1 3.42Å; R638-E641 VanDerWaalsContact CG-OE2 3.27Å; R638-E641 WeakPolarHBondContact CG-OE2 3.4Å; R638-E641 IonicContact CZ-OE1 3.37Å; R638-E641 PolarHBondContact N-OE2 3.31Å; R638-E641 IonicContact NE-OE1 3.88Å; R638-E641 IonicContact NH1-OE1 2.94Å; R638-E641 PolarHBondContact NH1-OE1 3.28Å; R638-E641 PolarHBondContact O-N 3.07Å; R638-E641 VanDerWaalsContact O-N 3.1Å; R638-Y642 PolarHBondContact O-N 3.16Å |
| 639 | I | 83.6 | Confident | 85.5 | Confident | 71 Ų | 71 | 94.9 Ų | 94.9 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.5 | -23.9 | 178.8 | -138 | 76.8 | 0 | 0 | 0 | 113.9 | R628 C630 K643 | R628-I639 WeakPolarHBondContact O-CB 3.4Å; R628-I639 PolarHBondContact O-N 2.96Å; C630-I639 HydrophobicContact CB-CD1 4.18Å; I639-K643 WeakPolarHBondContact O-CB 3.3Å; I639-K643 VanDerWaalsContact O-CG 3.3Å; I639-K643 WeakPolarHBondContact O-CG 3.32Å; I639-K643 PolarHBondContact O-N 3.26Å; I639-K643 VanDerWaalsContact O-N 3.11Å |
| 640 | G | 86 | Confident | 86 | Confident | 43 Ų | 43 | 100.2 Ų | 100.2 | 44% | 0.443 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74.3 | -50.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R638 Y642 K643 Q644 | R638-G640 PolarHBondContact O-N 3.15Å; G640-Y642 VanDerWaalsContact C-N 3.34Å; G640-Y642 PolarHBondContact O-N 2.96Å; G640-K643 CarbonylContact O-C 3.59Å; G640-K643 PolarHBondContact O-N 3.22Å; G640-K643 VanDerWaalsContact O-N 3.17Å; G640-Q644 PolarHBondContact O-N 3.41Å |
| 641 | E | 88.5 | Confident | 86.5 | Confident | 66 Ų | 66 | 104.8 Ų | 104.8 | 31% | 0.308 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 174.4 | -68.8 | 124.1 | -134.7 | 0 | 0 | 111.4 | L637 R638 K643 Q644 M645 | L637-E641 HydrophobicContact CD1-CB 3.59Å; L637-E641 HydrophobicContact CD1-CG 4.26Å; L637-E641 HydrophobicContact CD2-CB 4.18Å; L637-E641 HydrophobicContact CG-CB 3.62Å; R638-E641 WeakPolarHBondContact CB-OE1 3.42Å; R638-E641 VanDerWaalsContact CB-OE2 3.25Å; R638-E641 WeakPolarHBondContact CB-OE2 3.41Å; R638-E641 WeakPolarHBondContact CD-OE1 3.23Å; R638-E641 VanDerWaalsContact CG-OE1 3.26Å; R638-E641 WeakPolarHBondContact CG-OE1 3.42Å; R638-E641 VanDerWaalsContact CG-OE2 3.27Å; R638-E641 WeakPolarHBondContact CG-OE2 3.4Å; R638-E641 IonicContact CZ-OE1 3.37Å; R638-E641 PolarHBondContact N-OE2 3.31Å; R638-E641 IonicContact NE-OE1 3.88Å; R638-E641 IonicContact NH1-OE1 2.94Å; R638-E641 PolarHBondContact NH1-OE1 3.28Å; R638-E641 PolarHBondContact O-N 3.07Å; R638-E641 VanDerWaalsContact O-N 3.1Å; E641-K643 PolarHBondContact O-N 3.31Å; E641-Q644 CarbonylContact O-C 3.49Å; E641-Q644 WeakPolarHBondContact O-CA 3.46Å; E641-Q644 WeakPolarHBondContact O-CB 3.48Å; E641-Q644 PolarHBondContact O-N 3.07Å; E641-M645 PolarHBondContact O-N 2.82Å |
| 642 | Y | 88.4 | Confident | 86.7 | Confident | 82 Ų | 82 | 103.7 Ų | 103.7 | 32% | 0.322 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 172.9 | 171.4 | -114.6 | 0 | 0 | 0 | 112.6 | C630 I632 R638 G640 Q644 M645 M646 | C630-Y642 WeakPolarHBondContact SG-CB 3.39Å; C630-Y642 VanDerWaalsContact SG-CG 3.56Å; I632-Y642 HydrophobicContact CD1-CD2 3.32Å; I632-Y642 HydrophobicContact CD1-CE2 3.85Å; I632-Y642 HydrophobicContact CD1-CG 3.91Å; I632-Y642 HydrophobicContact CG1-CD2 3.72Å; I632-Y642 HydrophobicContact CG1-CE2 3.81Å; R638-Y642 PolarHBondContact O-N 3.16Å; G640-Y642 VanDerWaalsContact C-N 3.34Å; G640-Y642 PolarHBondContact O-N 2.96Å; Y642-Q644 PolarHBondContact O-N 3.36Å; Y642-M645 HydrophobicContact CD2-SD 4.26Å; Y642-M645 PolarHBondContact O-N 2.73Å; Y642-M646 HydrophobicContact CD2-CE 4.48Å; Y642-M646 HydrophobicContact CD2-CG 3.79Å; Y642-M646 HydrophobicContact CE1-CG 4.25Å; Y642-M646 HydrophobicContact CE2-CE 3.9Å; Y642-M646 HydrophobicContact CE2-CG 3.38Å; Y642-M646 HydrophobicContact CE2-SD 3.91Å; Y642-M646 HydrophobicContact CG-CG 4.4Å; Y642-M646 WeakPolarHBondContact O-CB 3.32Å; Y642-M646 VanDerWaalsContact O-CG 3.31Å; Y642-M646 WeakPolarHBondContact O-CG 3.49Å; Y642-M646 PolarHBondContact O-N 2.93Å |
| 643 | K | 89.6 | Confident | 86.8 | Confident | 137 Ų | 137 | 107.8 Ų | 107.8 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.1 | -14.7 | 171.7 | -80.6 | -173.1 | 172.4 | -162.1 | 0 | 113.7 | I639 G640 E641 R647 | I639-K643 WeakPolarHBondContact O-CB 3.3Å; I639-K643 VanDerWaalsContact O-CG 3.3Å; I639-K643 WeakPolarHBondContact O-CG 3.32Å; I639-K643 PolarHBondContact O-N 3.26Å; I639-K643 VanDerWaalsContact O-N 3.11Å; G640-K643 CarbonylContact O-C 3.59Å; G640-K643 PolarHBondContact O-N 3.22Å; G640-K643 VanDerWaalsContact O-N 3.17Å; E641-K643 PolarHBondContact O-N 3.31Å; K643-R647 WeakPolarHBondContact O-CG 3.38Å; K643-R647 PolarHBondContact O-NE 3.44Å |
| 644 | Q | 90.1 | Very high | 87 | Confident | 129 Ų | 129 | 110.3 Ų | 110.3 | 60% | 0.603 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -86.5 | -50 | 171.4 | -172.8 | 166.8 | -12.2 | 0 | 0 | 110.3 | G640 E641 Y642 M646 R647 S648 | G640-Q644 PolarHBondContact O-N 3.41Å; E641-Q644 CarbonylContact O-C 3.49Å; E641-Q644 WeakPolarHBondContact O-CA 3.46Å; E641-Q644 WeakPolarHBondContact O-CB 3.48Å; E641-Q644 PolarHBondContact O-N 3.07Å; Y642-Q644 PolarHBondContact O-N 3.36Å; Q644-M646 VanDerWaalsContact C-N 3.33Å; Q644-M646 PolarHBondContact O-N 2.78Å; Q644-R647 PolarHBondContact O-N 2.87Å; Q644-S648 WeakPolarHBondContact O-CB 3.38Å; Q644-S648 PolarHBondContact O-N 3.33Å |
| 645 | M | 89.6 | Confident | 86.5 | Confident | 62 Ų | 62 | 112.7 Ų | 112.7 | 31% | 0.305 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -49.6 | -50.4 | 169.9 | 176.2 | -154 | -87.7 | 0 | 0 | 111.8 | I632 L637 E641 Y642 R647 S648 R649 | I632-M645 HydrophobicContact CB-CE 4.33Å; I632-M645 HydrophobicContact CG2-CE 4.04Å; I632-M645 HydrophobicContact CG2-SD 4.09Å; L637-M645 HydrophobicContact CD2-CE 3.64Å; L637-M645 HydrophobicContact CD2-SD 4.44Å; E641-M645 PolarHBondContact O-N 2.82Å; Y642-M645 HydrophobicContact CD2-SD 4.26Å; Y642-M645 PolarHBondContact O-N 2.73Å; M645-R647 VanDerWaalsContact C-N 3.3Å; M645-R647 PolarHBondContact O-N 3.38Å; M645-S648 PolarHBondContact O-N 2.9Å; M645-R649 WeakPolarHBondContact O-CB 3.44Å; M645-R649 PolarHBondContact O-N 3.46Å |
| 646 | M | 90.4 | Very high | 85.5 | Confident | 68 Ų | 68 | 111.9 Ų | 111.9 | 34% | 0.335 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.5 | -21.8 | -179.4 | -70.1 | -71.5 | 118.5 | 0 | 0 | 113.8 | Y642 Q644 R650 | Y642-M646 HydrophobicContact CD2-CE 4.48Å; Y642-M646 HydrophobicContact CD2-CG 3.79Å; Y642-M646 HydrophobicContact CE1-CG 4.25Å; Y642-M646 HydrophobicContact CE2-CE 3.9Å; Y642-M646 HydrophobicContact CE2-CG 3.38Å; Y642-M646 HydrophobicContact CE2-SD 3.91Å; Y642-M646 HydrophobicContact CG-CG 4.4Å; Y642-M646 WeakPolarHBondContact O-CB 3.32Å; Y642-M646 VanDerWaalsContact O-CG 3.31Å; Y642-M646 WeakPolarHBondContact O-CG 3.49Å; Y642-M646 PolarHBondContact O-N 2.93Å; Q644-M646 VanDerWaalsContact C-N 3.33Å; Q644-M646 PolarHBondContact O-N 2.78Å; M646-R650 WeakPolarHBondContact O-CB 3.45Å; M646-R650 PolarHBondContact O-N 3.1Å |
| 647 | R | 91.8 | Very high | 84.5 | Confident | 167 Ų | 167 | 112.2 Ų | 112.2 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -78.7 | -43.9 | 169 | -81.4 | -176.8 | -67.1 | 155.8 | 4.2 | 111 | K643 Q644 M645 R650 Q651 | K643-R647 WeakPolarHBondContact O-CG 3.38Å; K643-R647 PolarHBondContact O-NE 3.44Å; Q644-R647 PolarHBondContact O-N 2.87Å; M645-R647 VanDerWaalsContact C-N 3.3Å; M645-R647 PolarHBondContact O-N 3.38Å; R647-R650 PolarHBondContact O-N 3.05Å; R647-R650 VanDerWaalsContact O-N 3.14Å; R647-Q651 PolarHBondContact O-N 3.18Å |
| 648 | S | 91.3 | Very high | 83.1 | Confident | 72 Ų | 72 | 115.9 Ų | 115.9 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.5 | -52.3 | 175 | -155.9 | 0 | 0 | 0 | 0 | 110.7 | Q644 M645 R650 Q651 E652 | Q644-S648 WeakPolarHBondContact O-CB 3.38Å; Q644-S648 PolarHBondContact O-N 3.33Å; M645-S648 PolarHBondContact O-N 2.9Å; S648-R650 PolarHBondContact O-N 3.03Å; S648-Q651 WeakPolarHBondContact O-CA 3.3Å; S648-Q651 WeakPolarHBondContact O-CB 3.29Å; S648-Q651 PolarHBondContact O-N 3.29Å; S648-E652 VanDerWaalsContact O-CB 3.28Å; S648-E652 WeakPolarHBondContact O-CB 3.35Å; S648-E652 PolarHBondContact O-N 3.04Å |
| 649 | R | 90.8 | Very high | 81.4 | Confident | 141 Ų | 141 | 114.2 Ų | 114.2 | 53% | 0.532 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.8 | -33.9 | 175.3 | -175.6 | -179.3 | -81.4 | -90.3 | 7.3 | 112.7 | M645 E652 M653 | M645-R649 WeakPolarHBondContact O-CB 3.44Å; M645-R649 PolarHBondContact O-N 3.46Å; R649-E652 WeakPolarHBondContact CA-OE2 3.48Å; R649-M653 VanDerWaalsContact O-CB 3.23Å; R649-M653 WeakPolarHBondContact O-CB 3.18Å; R649-M653 PolarHBondContact O-N 2.9Å |
| 650 | R | 90.6 | Very high | 79.6 | Confident | 182 Ų | 182 | 114 Ų | 114 | 69% | 0.687 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -74.6 | -29.8 | 175.2 | -179.7 | 177.7 | -75 | -149.5 | -5.4 | 112.9 | M646 R647 S648 R654 | M646-R650 WeakPolarHBondContact O-CB 3.45Å; M646-R650 PolarHBondContact O-N 3.1Å; R647-R650 PolarHBondContact O-N 3.05Å; R647-R650 VanDerWaalsContact O-N 3.14Å; S648-R650 PolarHBondContact O-N 3.03Å; R650-R654 WeakPolarHBondContact O-CG 3.45Å; R650-R654 PolarHBondContact O-N 2.91Å |
| 651 | Q | 89.5 | Confident | 77.4 | Confident | 122 Ų | 122 | 120.6 Ų | 120.6 | 57% | 0.57 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -76.1 | -46.9 | 174.6 | 179.2 | 175.6 | -9.9 | 0 | 0 | 111 | R647 S648 M653 R654 Q655 | R647-Q651 PolarHBondContact O-N 3.18Å; S648-Q651 WeakPolarHBondContact O-CA 3.3Å; S648-Q651 WeakPolarHBondContact O-CB 3.29Å; S648-Q651 PolarHBondContact O-N 3.29Å; Q651-M653 PolarHBondContact O-N 2.99Å; Q651-R654 WeakPolarHBondContact O-CA 3.31Å; Q651-R654 WeakPolarHBondContact O-CB 3.42Å; Q651-R654 PolarHBondContact O-N 2.91Å; Q651-Q655 PolarHBondContact O-N 3.42Å |
| 652 | E | 85.7 | Confident | 75.2 | Confident | 92 Ų | 92 | 122.8 Ų | 122.8 | 43% | 0.43 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -51.1 | -52.7 | 169.9 | 176.8 | -176.1 | -164 | 0 | 0 | 111.2 | S648 R649 R654 Q655 F656 | S648-E652 VanDerWaalsContact O-CB 3.28Å; S648-E652 WeakPolarHBondContact O-CB 3.35Å; S648-E652 PolarHBondContact O-N 3.04Å; R649-E652 WeakPolarHBondContact CA-OE2 3.48Å; E652-R654 PolarHBondContact O-N 3.34Å; E652-Q655 PolarHBondContact O-N 3.38Å; E652-Q655 VanDerWaalsContact O-N 3.09Å; E652-F656 HydrophobicContact CG-CD2 3.9Å; E652-F656 HydrophobicContact CG-CE2 3.66Å; E652-F656 WeakPolarHBondContact O-CD2 3.47Å; E652-F656 PolarHBondContact O-N 3.32Å |
| 653 | M | 80.8 | Confident | 73 | Confident | 117 Ų | 117 | 125 Ų | 125 | 58% | 0.576 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -59.2 | -31.2 | 176.3 | -158.6 | 85.5 | 176.6 | 0 | 0 | 113 | R649 Q651 F657 | R649-M653 VanDerWaalsContact O-CB 3.23Å; R649-M653 WeakPolarHBondContact O-CB 3.18Å; R649-M653 PolarHBondContact O-N 2.9Å; Q651-M653 PolarHBondContact O-N 2.99Å; M653-F657 HydrophobicContact CE-CE2 4.42Å; M653-F657 WeakPolarHBondContact O-CD2 3.4Å; M653-F657 PolarHBondContact O-N 3.37Å |
| 654 | R | 81.9 | Confident | 70.4 | Confident | 182 Ų | 182 | 127.6 Ų | 127.6 | 69% | 0.687 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.2 | -42.5 | 174.8 | -78.7 | 174.6 | 173.8 | -99.1 | -3.7 | 111.6 | R650 Q651 E652 F657 T658 | R650-R654 WeakPolarHBondContact O-CG 3.45Å; R650-R654 PolarHBondContact O-N 2.91Å; Q651-R654 WeakPolarHBondContact O-CA 3.31Å; Q651-R654 WeakPolarHBondContact O-CB 3.42Å; Q651-R654 PolarHBondContact O-N 2.91Å; E652-R654 PolarHBondContact O-N 3.34Å; R654-F657 PolarHBondContact O-N 2.96Å; R654-F657 VanDerWaalsContact O-N 3.16Å; R654-T658 PolarHBondContact O-N 3.44Å; R654-T658 PolarHBondContact O-OG1 3.14Å |
| 655 | Q | 72.6 | Confident | 68 | Low | 123 Ų | 123 | 128 Ų | 128 | 58% | 0.575 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.6 | -38.6 | 177.6 | -71.3 | -177.9 | -45.5 | 0 | 0 | 112.1 | Q651 E652 F657 T658 | Q651-Q655 PolarHBondContact O-N 3.42Å; E652-Q655 PolarHBondContact O-N 3.38Å; E652-Q655 VanDerWaalsContact O-N 3.09Å; Q655-F657 VanDerWaalsContact C-N 3.25Å; Q655-F657 PolarHBondContact O-N 3.48Å; Q655-T658 PolarHBondContact O-N 3.22Å; Q655-T658 VanDerWaalsContact O-N 3.07Å |
| 656 | F | 63.2 | Low | 65.7 | Low | 142 Ų | 142 | 131.3 Ų | 131.3 | 62% | 0.623 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.8 | -27.3 | 173.1 | -81.9 | -64.1 | 0 | 0 | 0 | 114 | E652 V659 | E652-F656 HydrophobicContact CG-CD2 3.9Å; E652-F656 HydrophobicContact CG-CE2 3.66Å; E652-F656 WeakPolarHBondContact O-CD2 3.47Å; E652-F656 PolarHBondContact O-N 3.32Å; F656-V659 WeakPolarHBondContact O-CG2 3.49Å |
| 657 | F | 60.2 | Low | 63.1 | Low | 166 Ų | 166 | 135.1 Ų | 135.1 | 73% | 0.728 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -83.8 | -11.5 | 173.7 | -93.9 | -94.8 | 0 | 0 | 0 | 113.9 | M653 R654 Q655 | M653-F657 HydrophobicContact CE-CE2 4.42Å; M653-F657 WeakPolarHBondContact O-CD2 3.4Å; M653-F657 PolarHBondContact O-N 3.37Å; R654-F657 PolarHBondContact O-N 2.96Å; R654-F657 VanDerWaalsContact O-N 3.16Å; Q655-F657 VanDerWaalsContact C-N 3.25Å; Q655-F657 PolarHBondContact O-N 3.48Å |
| 658 | T | 54.8 | Low | 60.5 | Low | 116 Ų | 116 | 133.6 Ų | 133.6 | 71% | 0.712 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -85 | -26.4 | 178.1 | -55.3 | 0 | 0 | 0 | 0 | 112.8 | R654 Q655 G660 | R654-T658 PolarHBondContact O-N 3.44Å; R654-T658 PolarHBondContact O-OG1 3.14Å; Q655-T658 PolarHBondContact O-N 3.22Å; Q655-T658 VanDerWaalsContact O-N 3.07Å; T658-G660 PolarHBondContact O-N 3.34Å |
| 659 | V | 50.2 | Low | 57.9 | Low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.715 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -82.8 | 31.1 | -177.9 | -64.3 | 0 | 0 | 0 | 0 | 113.9 | F656 | F656-V659 WeakPolarHBondContact O-CG2 3.49Š|
| 660 | G | 45.7 | Very low | 55.1 | Low | 68 Ų | 68 | 135.9 Ų | 135.9 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | -101 | 7.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | T658 | T658-G660 PolarHBondContact O-N 3.34Š| ||
| 661 | Q | 40.4 | Very low | 52.7 | Low | 180 Ų | 180 | 131.6 Ų | 131.6 | 84% | 0.841 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -103.6 | 139.8 | 173.4 | -82.8 | -166.8 | -13.5 | 0 | 0 | 112 | ||
| 662 | P | 41.1 | Very low | 50 | Low | 112 Ų | 112 | 130.8 Ų | 130.8 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 148.7 | 172.2 | 32.8 | -34.5 | 0 | 0 | 0 | 111 | Q664 | P662-Q664 PolarHBondContact O-N 2.82Š|
| 663 | P | 42.6 | Very low | 47.5 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 125.9 | -179.6 | 29.9 | -33.8 | 0 | 0 | 0 | 111.6 | ||
| 664 | Q | 35.3 | Very low | 45.7 | Very low | 191 Ų | 191 | 135.3 Ų | 135.3 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 137.2 | 158.8 | -83.9 | -159.1 | 11.9 | 0 | 0 | 110.8 | P662 | P662-Q664 PolarHBondContact O-N 2.82Š|
| 665 | I | 40.6 | Very low | 43.3 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -71 | 137.5 | 168.9 | 44.7 | 172.7 | 0 | 0 | 0 | 110.5 | ||
| 666 | P | 39.8 | Very low | 42.5 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 131.4 | 176.9 | 31.1 | -33.3 | 0 | 0 | 0 | 111 | ||
| 667 | I | 37.1 | Very low | 41.2 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -118.8 | 133.6 | 169.3 | -57.2 | 179.8 | 0 | 0 | 0 | 108 | ||||
| 668 | T | 36.1 | Very low | 40.1 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -76.4 | 136.7 | -175.2 | 47.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 669 | T | 38 | Very low | 39.4 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -73.2 | 141.8 | -178 | -38.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 670 | S | 32 | Very low | 38.8 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -136.6 | 167.3 | 155.1 | 61.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 671 | A | 39.5 | Very low | 38.6 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | trans | -112.9 | 174.6 | -149.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 672 | S | 32 | Very low | 38.6 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | 78.5 | 149.4 | 167.1 | -61.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 673 | M | 33.6 | Very low | 38.3 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 83% | 0.828 | 82% | 0.82 | S | S | * | * | cis | -166.4 | 155.7 | -4.8 | -120.7 | 179.1 | -170.6 | 0 | 0 | 113.4 | ||||
| 674 | V | 42.6 | Very low | 38 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | 56.3 | 146.3 | 159.2 | -108.8 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 675 | Y | 32.9 | Very low | 37.9 | Very low | 226 Ų | 226 | 132.9 Ų | 132.9 | 89% | 0.886 | 81% | 0.808 | S | S | * | * | trans | -92.2 | -177.1 | 160.7 | -95.8 | -101.2 | 0 | 0 | 0 | 110.3 | ||||
| 676 | P | 54.2 | Low | 38.1 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | cis | -131.3 | -162.4 | 11.9 | 40.6 | -19.8 | 0 | 0 | 0 | 115.1 | ||||
| 677 | G | 36.6 | Very low | 37.5 | Very low | 82 Ų | 82 | 131.5 Ų | 131.5 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | -151.7 | -175.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 678 | G | 36.4 | Very low | 37.7 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 171.3 | 123.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 679 | L | 40 | Very low | 37.3 | Very low | 165 Ų | 165 | 132.1 Ų | 132.1 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | 78.5 | 133.1 | 142.7 | -59.6 | -178.1 | 0 | 0 | 0 | 125.2 | ||||
| 680 | T | 38.5 | Very low | 36.9 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | 86.4 | 160.9 | 151.6 | 55.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 681 | M | 42 | Very low | 37 | Very low | 185 Ų | 185 | 133.3 Ų | 133.3 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -142.8 | 161.3 | -151.9 | -50.4 | -153.3 | -59.1 | 0 | 0 | 115.3 | ||||
| 682 | A | 39.5 | Very low | 36.8 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | 172.3 | 142.6 | 124.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 683 | N | 35.1 | Very low | 37 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | trans | 71.5 | 118.9 | 146.3 | -79.8 | 18.3 | 0 | 0 | 0 | 126.8 | ||||
| 684 | T | 35.4 | Very low | 36.8 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 66% | 0.663 | 81% | 0.809 | S | S | * | * | trans | 75.5 | 86.4 | 132.1 | 57.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 685 | T | 32.8 | Very low | 36.4 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | 58.4 | 155.5 | 117.2 | 54.5 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 686 | P | 45.3 | Very low | 36.4 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | cis | -130.8 | 134.2 | -0.2 | 34.3 | -15.6 | 0 | 0 | 0 | 116.3 | ||||
| 687 | S | 27.5 | Very low | 35.3 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -167 | 133.6 | 142.8 | -160.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 688 | P | 41.1 | Very low | 35.1 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | trans | -107.7 | 160.5 | -175.2 | 38.9 | -33.1 | 0 | 0 | 0 | 114.2 | ||||
| 689 | Q | 29.1 | Very low | 34.6 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | cis | -167.9 | 141.6 | -34.5 | -128.9 | 171.3 | -1.4 | 0 | 0 | 107.5 | ||||
| 690 | M | 29.1 | Very low | 34.5 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -139.9 | 139 | 171.4 | -88.1 | -70.1 | -79.5 | 0 | 0 | 110.8 | ||||
| 691 | T | 33 | Very low | 34.9 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | 67.3 | 142.8 | 162.3 | 49.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 692 | S | 36 | Very low | 34.6 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | 65.9 | 95.9 | 154.6 | 56.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 693 | E | 36.4 | Very low | 34.9 | Very low | 187 Ų | 187 | 128.5 Ų | 128.5 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | 49.4 | 109.4 | 121.3 | -60.2 | -176 | 158.9 | 0 | 0 | 121.8 | |||||
| 694 | C | 28.9 | Very low | 35 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | -172.3 | 134.2 | 118.2 | -98.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 695 | S | 34.1 | Very low | 34.8 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | 53.2 | 112.5 | 146.9 | -59 | 0 | 0 | 0 | 0 | 123 | ||||
| 696 | S | 34 | Very low | 35.6 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | 49.5 | 139.5 | 119.2 | -52.4 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 697 | A | 30.3 | Very low | 34.8 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | cis | -151.2 | 163.6 | 17.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 698 | S | 31.7 | Very low | 35 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | 53.2 | 99.4 | 155.8 | 61.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 699 | V | 27.1 | Very low | 34.4 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | -152 | 157.5 | 103 | 79.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 700 | S | 36.8 | Very low | 34.5 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -64.7 | 157.8 | 175.9 | -147.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 701 | P | 47 | Very low | 34.4 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | cis | -141.7 | -172.5 | 24.1 | 42.3 | -21.4 | 0 | 0 | 0 | 118.2 | ||||
| 702 | E | 36.1 | Very low | 34.2 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -50.4 | 165 | 169.1 | -93.8 | -172.9 | 94.6 | 0 | 0 | 116.1 | ||||
| 703 | P | 46.6 | Very low | 33.8 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | cis | -146.3 | 158.4 | 35.7 | 40.2 | -19.2 | 0 | 0 | 0 | 121.3 | ||||
| 704 | S | 37.1 | Very low | 33.3 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | 50.3 | 93.9 | 138.1 | -57.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 705 | I | 30.7 | Very low | 33.1 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -142.9 | -177.7 | 147.6 | -10.1 | 176.2 | 0 | 0 | 0 | 110.9 | ||||
| 706 | P | 48.9 | Very low | 32.6 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | -126.4 | 166.6 | -118.1 | 43.4 | -26.3 | 0 | 0 | 0 | 119 | |||||
| 707 | V | 29.5 | Very low | 32.3 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | 35 | 87.7 | 147.3 | -170.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 708 | I | 31.4 | Very low | 33 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 80% | 0.795 | 76% | 0.763 | S | S | * | * | 23.5 | 126.7 | 122 | -56.9 | 166.2 | 0 | 0 | 0 | 118.9 | |||||
| 709 | Q | 29.5 | Very low | 32.6 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | -153.8 | 124.4 | 126 | -122 | -179.4 | 9.6 | 0 | 0 | 114.4 | |||||
| 710 | S | 30.3 | Very low | 32.7 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | 49.5 | 123.6 | 148.4 | -59.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 711 | T | 27.8 | Very low | 32.3 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | cis | -152.1 | -160.2 | 24.5 | 52.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 712 | Y | 28.5 | Very low | 31.7 | Very low | 207 Ų | 207 | 138.2 Ų | 138.2 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | cis | -156.3 | 162.9 | 8.1 | 49.7 | -107 | 0 | 0 | 0 | 114.2 | ||||
| 713 | N | 27.2 | Very low | 31.4 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | 31.7 | 149.7 | 146.5 | -125.4 | 6.2 | 0 | 0 | 0 | 124.9 | ||||
| 714 | M | 25.7 | Very low | 30.4 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | trans | 91.1 | 107.3 | 154.5 | -70.9 | -67.8 | 159.1 | 0 | 0 | 122.6 | ||||
| 715 | K | 24.3 | Very low | 30 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | 103.1 | 113.8 | 115.6 | -164.9 | 169.4 | -175.3 | 177.9 | 0 | 120.9 | |||||
| 716 | L | 25 | Very low | 30 | Very low | 146 Ų | 146 | 138 Ų | 138 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | 39.4 | 130.4 | 148.2 | -83.3 | 78.9 | 0 | 0 | 0 | 122 | ||||
| 717 | E | 26 | Very low | 29.8 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | 24 | 148.9 | 112 | -77.4 | -70.1 | 123.6 | 0 | 0 | 120 | |||||
| 718 | P | 45.6 | Very low | 30 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | cis | -145.4 | -176 | 23.1 | 44.3 | -25.6 | 0 | 0 | 0 | 118.2 | ||||
| 719 | S | 24.1 | Very low | 29.9 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | 72.8 | 155.2 | 148 | -61.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 720 | A | 28.2 | Very low | 29.9 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 65% | 0.645 | 73% | 0.728 | S | S | * | * | cis | 159.6 | 166.7 | -35.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 721 | M | 29.8 | Very low | 29.9 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | trans | 80.8 | 109 | 164.8 | -55 | -161.6 | 179.6 | 0 | 0 | 115.8 | ||||
| 722 | V | 33 | Very low | 30.1 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | 94 | 135.4 | 68.8 | 155.1 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 723 | N | 30.3 | Very low | 30.6 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | cis | -157.8 | 179.5 | 43.1 | -150.3 | -4.5 | 0 | 0 | 0 | 116.1 | ||||
| 724 | N | 25.3 | Very low | 30.9 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 86.5 | 135.1 | 158.9 | -51.4 | -26.8 | 0 | 0 | 0 | 118.8 | ||||
| 725 | S | 29.6 | Very low | 31.2 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | cis | -171.4 | 116.3 | -18.7 | 48 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 726 | E | 29.7 | Very low | 31.7 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | 55.4 | 169.2 | 144.7 | -71.4 | -173.6 | 112.4 | 0 | 0 | 122 | ||||
| 727 | P | 44.5 | Very low | 32.2 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | cis | -110 | 150.2 | -3.8 | 7.8 | 17.4 | 0 | 0 | 0 | 114.3 | ||||
| 728 | V | 33.6 | Very low | 32.8 | Very low | 117 Ų | 117 | 132 Ų | 132 | 71% | 0.709 | 72% | 0.721 | S | S | * | * | 74 | 134.8 | 77.5 | 126.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 729 | N | 30.2 | Very low | 32.6 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | cis | -160.5 | 176.2 | -11.7 | -145.9 | 40.3 | 0 | 0 | 0 | 112.6 | ||||
| 730 | G | 29.6 | Very low | 33.1 | Very low | 51 Ų | 51 | 136.8 Ų | 136.8 | 53% | 0.526 | 73% | 0.725 | S | S | . | * | trans | 116.8 | 116.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 731 | E | 30.1 | Very low | 34.1 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | cis | 78.6 | 142.3 | 39 | 94.8 | -144.8 | 133.3 | 0 | 0 | 113.4 | ||||
| 732 | D | 32.7 | Very low | 34.3 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | cis | -103.5 | -155.6 | 10.4 | -60 | -69 | 0 | 0 | 0 | 115.9 | ||||
| 733 | E | 38.8 | Very low | 34.6 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -140.1 | -46.4 | -159.2 | -165 | 171.3 | -149.4 | 0 | 0 | 121 | ||||
| 734 | M | 32.9 | Very low | 35.5 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 72% | 0.719 | 74% | 0.738 | S | S | * | * | trans | -120.9 | -179.6 | -160.5 | -67.6 | 178 | -171 | 0 | 0 | 113.9 | ||||
| 735 | D | 32.7 | Very low | 36 | Very low | 119 Ų | 119 | 144 Ų | 144 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | cis | -156.6 | 161.5 | -4.1 | -122.8 | -9.1 | 0 | 0 | 0 | 108.7 | ||||
| 736 | M | 34.2 | Very low | 36.2 | Very low | 136 Ų | 136 | 144 Ų | 144 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | 62.3 | 130.6 | 91.9 | -133.7 | -139.6 | -50.8 | 0 | 0 | 117.9 | |||||
| 737 | Y | 35.3 | Very low | 36.4 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 73% | 0.729 | 74% | 0.735 | S | S | * | * | trans | 68 | 154.7 | 165.2 | -87.4 | -125.6 | 0 | 0 | 0 | 117.5 | ||||
| 738 | E | 38 | Very low | 35.7 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | cis | -152.5 | -170.6 | -19.5 | -140.5 | -176.1 | 179.8 | 0 | 0 | 111.6 | ||||
| 739 | D | 41.8 | Very low | 35.5 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 63% | 0.631 | 74% | 0.737 | S | S | * | * | trans | -34.5 | 145.1 | 168.1 | -169.6 | 31 | 0 | 0 | 0 | 118.5 | ||||
| 740 | F | 34.2 | Very low | 35.8 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | 178.8 | 153.6 | 118.4 | -114.4 | -95.8 | 0 | 0 | 0 | 112.6 | |||||
| 741 | E | 49.1 | Very low | 35.8 | Very low | 180 Ų | 180 | 149.6 Ų | 149.6 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | trans | -83.2 | 154.1 | 165.8 | -69 | -166.9 | 162.8 | 0 | 0 | 112.1 | ||||
| 742 | D | 34.4 | Very low | 35.7 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 88% | 0.877 | 75% | 0.747 | S | S | * | * | trans | -157.9 | 141.2 | 141.9 | -135.8 | -18.2 | 0 | 0 | 0 | 112.8 | ||||
| 743 | E | 39.7 | Very low | 35.6 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | -124.1 | 120.5 | 173.1 | -176.5 | -159.4 | 176.3 | 0 | 0 | 110.1 | ||||
| 744 | P | 50 | Low | 35.2 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | trans | -110.4 | 141.4 | 163.6 | 33.7 | -25.2 | 0 | 0 | 0 | 113.5 | ||||
| 745 | K | 34.1 | Very low | 35.5 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | trans | -84.4 | 156.4 | -173.6 | -71.4 | 171.6 | 175.8 | 163.5 | 0 | 114.8 | ||||
| 746 | S | 33.9 | Very low | 35.7 | Very low | 95 Ų | 95 | 149.6 Ų | 149.6 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | 37.5 | 141.4 | 138.8 | 75.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 747 | D | 34.2 | Very low | 36.4 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | -165.8 | 144.7 | 98.3 | -98.9 | 2.6 | 0 | 0 | 0 | 114.3 | |||||
| 748 | Y | 30.1 | Very low | 36.6 | Very low | 214 Ų | 214 | 145.8 Ų | 145.8 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | 62.3 | 172.3 | 163.4 | -89.5 | -126.8 | 0 | 0 | 0 | 116.3 | ||||
| 749 | S | 30.2 | Very low | 36.9 | Very low | 91 Ų | 91 | 143.1 Ų | 143.1 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -178.3 | 164.9 | -40.5 | -94 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 750 | S | 35.2 | Very low | 37.3 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | cis | -169.7 | -172.8 | -19.8 | -172.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 751 | E | 29.3 | Very low | 37.6 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | 69.2 | 140.1 | 176 | -71.3 | -176.9 | 63.6 | 0 | 0 | 116.2 | ||||
| 752 | N | 29.4 | Very low | 37 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | cis | -134.5 | 141.2 | -1.8 | -105.1 | -49.9 | 0 | 0 | 0 | 110.9 | ||||
| 753 | D | 30.9 | Very low | 37.1 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -117.8 | 142.3 | 160.5 | -161.7 | -15.5 | 0 | 0 | 0 | 107.3 | ||||
| 754 | A | 30.6 | Very low | 37 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -141.4 | 98.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 755 | Q | 37.9 | Very low | 36.2 | Very low | 191 Ų | 191 | 140.8 Ų | 140.8 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -135.1 | 114.7 | 177.3 | -166.4 | 171.3 | 37.1 | 0 | 0 | 111.2 | ||||
| 756 | E | 36.4 | Very low | 36.3 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | -150.2 | 157.2 | 172.5 | -101.3 | -137.3 | 130.2 | 0 | 0 | 109.4 | ||||
| 757 | P | 50.6 | Low | 36.5 | Very low | 92 Ų | 92 | 141.7 Ų | 141.7 | 60% | 0.597 | 80% | 0.796 | S | S | * | * | cis | -132.3 | 168 | -33.9 | 34 | -17.9 | 0 | 0 | 0 | 112.7 | ||||
| 758 | V | 37.8 | Very low | 36.7 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 90% | 0.903 | 80% | 0.802 | S | S | * | * | trans | -119 | 121 | 155.7 | 177.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 759 | S | 45.6 | Very low | 37.2 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -78.6 | 140.8 | -168.8 | -44.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 760 | A | 49.7 | Very low | 37.7 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | 54.5 | 144.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 761 | N | 39.5 | Very low | 38 | Very low | 229 Ų | 229 | 143.9 Ų | 143.9 | 100% | 1.225 | 82% | 0.821 | S | S | * | * | cis | -157.8 | 0 | 26.6 | -167.1 | 74 | 0 | 0 | 0 | 111.2 |
Retrieved 761 of 761 residues in 150.9 ms
(Link to these results)