| 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 | 38.9 | Very low | 40.8 | Very low | 250 Ų | 250 | 162.9 Ų | 162.9 | 100% | 1.232 | 87% | 0.868 | S | S | * | * | 0 | 157.6 | 0 | -62.3 | 178 | -171.3 | 0 | 0 | 108.5 | |||||
| 2 | A | 35.8 | Very low | 41 | Very low | 94 Ų | 94 | 168.6 Ų | 168.6 | 78% | 0.777 | 87% | 0.868 | S | S | * | * | trans | -76.6 | 142.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V4 | A2-V4 HydrophobicContact CB-CG2 4.5Š| ||
| 3 | S | 34.8 | Very low | 41 | Very low | 114 Ų | 114 | 163.8 Ų | 163.8 | 80% | 0.797 | 86% | 0.859 | S | S | * | * | trans | -103 | 115.4 | 163.5 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | L5 | S3-L5 PolarHBondContact O-N 3.18Š| ||
| 4 | V | 44.7 | Very low | 41.3 | Very low | 122 Ų | 122 | 163.2 Ų | 163.2 | 74% | 0.739 | 86% | 0.856 | S | S | * | * | trans | -97.3 | 96.1 | -172.3 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | A2 S6 | A2-V4 HydrophobicContact CB-CG2 4.5Å; V4-S6 PolarHBondContact O-N 3.17Å | ||
| 5 | L | 42.8 | Very low | 41.2 | Very low | 164 Ų | 164 | 163.5 Ų | 163.5 | 86% | 0.859 | 86% | 0.857 | S | S | * | * | trans | -74.6 | 112.5 | 165.3 | -66.9 | 175.2 | 0 | 0 | 0 | 109.7 | S3 | S3-L5 PolarHBondContact O-N 3.18Š| ||
| 6 | S | 34.9 | Very low | 40.9 | Very low | 105 Ų | 105 | 158.6 Ų | 158.6 | 73% | 0.734 | 86% | 0.858 | S | S | * | * | trans | -114.9 | 117 | 174.2 | -162.7 | 0 | 0 | 0 | 0 | 111.4 | V4 | V4-S6 PolarHBondContact O-N 3.17Š| ||
| 7 | R | 44.9 | Very low | 40.8 | Very low | 231 Ų | 231 | 155.1 Ų | 155.1 | 87% | 0.872 | 86% | 0.856 | S | S | * | * | trans | -89.8 | 137.7 | -179.7 | -60 | 176.7 | 175.8 | -157.8 | -1.4 | 110.3 | ||||
| 8 | R | 45 | Very low | 41.3 | Very low | 249 Ų | 249 | 160.4 Ų | 160.4 | 94% | 0.94 | 86% | 0.861 | S | S | * | * | trans | -134.8 | 107.7 | 156.6 | -72.8 | -166.2 | 178.3 | -111.4 | -1.9 | 111.7 | ||||
| 9 | L | 45.8 | Very low | 41 | Very low | 177 Ų | 177 | 159.3 Ų | 159.3 | 93% | 0.927 | 86% | 0.86 | S | S | * | * | trans | -86.3 | 144.7 | 163.1 | -80.3 | 160 | 0 | 0 | 0 | 109.4 | ||||
| 10 | G | 33.3 | Very low | 40.7 | Very low | 72 Ų | 72 | 160.1 Ų | 160.1 | 74% | 0.742 | 86% | 0.863 | S | S | * | * | trans | 153.7 | 140.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 11 | K | 47.5 | Very low | 40.3 | Very low | 214 Ų | 214 | 155.7 Ų | 155.7 | 93% | 0.93 | 86% | 0.855 | S | S | * | * | cis | -131 | 133.5 | 6.2 | -60.1 | 175.1 | -177.6 | 178.6 | 0 | 109.8 | ||||
| 12 | R | 43.8 | Very low | 40.6 | Very low | 231 Ų | 231 | 150.6 Ų | 150.6 | 87% | 0.872 | 84% | 0.841 | S | S | * | * | trans | -116.5 | 126 | 154.4 | 55.2 | 175.4 | 66.8 | 171 | -0.6 | 106.4 | ||||
| 13 | S | 41.1 | Very low | 40.5 | Very low | 107 Ų | 107 | 152 Ų | 152 | 75% | 0.748 | 84% | 0.844 | S | S | * | * | trans | -83.8 | 130 | -178.1 | -162.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 14 | L | 45.7 | Very low | 40.7 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 81% | 0.812 | 84% | 0.844 | S | S | * | * | trans | -123.5 | 116.5 | 169.6 | -68.1 | 175.3 | 0 | 0 | 0 | 107.3 | ||||
| 15 | L | 39.2 | Very low | 40.3 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 88% | 0.88 | 84% | 0.838 | S | S | * | * | trans | -112.1 | 140.9 | 168.9 | -66.1 | 175.8 | 0 | 0 | 0 | 107.7 | ||||
| 16 | G | 36.3 | Very low | 39.7 | Very low | 85 Ų | 85 | 150.6 Ų | 150.6 | 88% | 0.876 | 84% | 0.839 | S | S | * | * | trans | 100.5 | 47.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 17 | A | 39 | Very low | 39.4 | Very low | 98 Ų | 98 | 148.8 Ų | 148.8 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | trans | -97 | 128.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 18 | R | 50.4 | Low | 39.7 | Very low | 251 Ų | 251 | 144 Ų | 144 | 95% | 0.947 | 84% | 0.836 | S | S | * | * | trans | -117.1 | 138.6 | 163.6 | -75.5 | -174 | 178.5 | -104.6 | 3.3 | 108.4 | ||||
| 19 | V | 35.6 | Very low | 38.9 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 85% | 0.848 | 83% | 0.83 | S | S | * | * | trans | -100 | 140.8 | -176.8 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 20 | L | 34.7 | Very low | 38.1 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | trans | -104 | 143.4 | 164.9 | -69.4 | 173.3 | 0 | 0 | 0 | 109.3 | ||||
| 21 | G | 32.9 | Very low | 38 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | trans | -118.1 | 165.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 22 | P | 44.4 | Very low | 38.1 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | trans | -83.9 | -176 | -167.5 | -12.3 | 31.7 | 0 | 0 | 0 | 115.2 | ||||
| 23 | S | 34.7 | Very low | 38.1 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -121.6 | -177.3 | -168.5 | -169 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 24 | A | 38.6 | Very low | 37.6 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | 80.1 | 151.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 25 | S | 35.4 | Very low | 36.9 | Very low | 88 Ų | 88 | 125.9 Ų | 125.9 | 62% | 0.615 | 81% | 0.814 | S | S | * | * | cis | -146.6 | 171.3 | 11.2 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 26 | E | 31.5 | Very low | 36.9 | Very low | 187 Ų | 187 | 123.5 Ų | 123.5 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | 72 | 158.7 | 155 | -72.3 | 150.7 | 113.1 | 0 | 0 | 122 | ||||
| 27 | G | 28.7 | Very low | 36.6 | Very low | 68 Ų | 68 | 125.8 Ų | 125.8 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -148.1 | -152.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 28 | P | 51.3 | Low | 36.2 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | cis | -135.4 | -162.8 | 2.3 | 43.4 | -25.7 | 0 | 0 | 0 | 114.2 | ||||
| 29 | S | 27.4 | Very low | 35.1 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | 108.8 | 150.8 | 149.2 | -152.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 30 | A | 29.5 | Very low | 34.8 | Very low | 89 Ų | 89 | 120.9 Ų | 120.9 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | 70.5 | 86.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 31 | A | 30.4 | Very low | 34.5 | Very low | 102 Ų | 102 | 118 Ų | 118 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | 56.8 | 140.4 | 122.9 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 32 | P | 49 | Very low | 34.4 | Very low | 118 Ų | 118 | 119.3 Ų | 119.3 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -95.6 | 169.1 | -179.1 | 41.7 | -38.6 | 0 | 0 | 0 | 114.7 | ||||
| 33 | P | 44.5 | Very low | 34.3 | Very low | 120 Ų | 120 | 118.6 Ų | 118.6 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | -136.8 | -169 | 99.1 | 36.7 | -19.8 | 0 | 0 | 0 | 111.7 | |||||
| 34 | S | 29.5 | Very low | 34.2 | Very low | 112 Ų | 112 | 120 Ų | 120 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | cis | -151.9 | 152.1 | 16.2 | -53.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 35 | E | 32.6 | Very low | 34.2 | Very low | 166 Ų | 166 | 120.6 Ų | 120.6 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -83.7 | 163.5 | 162.3 | -88.7 | -83.9 | 132.6 | 0 | 0 | 111.2 | L37 | E35-L37 PolarHBondContact OE2-N 2.83Š| ||
| 36 | P | 39.3 | Very low | 33.8 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | -150.8 | 125.9 | 92.9 | 36 | -15.6 | 0 | 0 | 0 | 118.1 | |||||
| 37 | L | 29.1 | Very low | 33.7 | Very low | 133 Ų | 133 | 124 Ų | 124 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | 62.2 | 121.4 | 111.9 | -162.1 | 81.5 | 0 | 0 | 0 | 121.5 | E35 | E35-L37 PolarHBondContact OE2-N 2.83Š| |||
| 38 | L | 30.6 | Very low | 33.8 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | 158.3 | 111.7 | 124.8 | -83.5 | 174 | 0 | 0 | 0 | 108.8 | |||||
| 39 | E | 27.7 | Very low | 32.8 | Very low | 183 Ų | 183 | 124.5 Ų | 124.5 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | 95.4 | 126 | 72.2 | -173.8 | 171.7 | 106.5 | 0 | 0 | 112 | |||||
| 40 | G | 28.9 | Very low | 32.9 | Very low | 69 Ų | 69 | 126 Ų | 126 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | cis | -179.2 | -157.7 | -2.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 41 | A | 29.2 | Very low | 33.2 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 95% | 0.95 | 79% | 0.785 | S | S | * | * | trans | 77 | 142.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 42 | A | 30.8 | Very low | 33.2 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | trans | -146.1 | 173.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 43 | P | 42.3 | Very low | 32.4 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | -143.6 | 169.6 | 74.1 | 35 | -15.1 | 0 | 0 | 0 | 117 | |||||
| 44 | Q | 32.5 | Very low | 31.6 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -75.3 | 159.7 | 173.7 | -88.8 | -75.7 | -20.6 | 0 | 0 | 112.5 | ||||
| 45 | P | 38.2 | Very low | 31.6 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | -144.9 | 148.4 | 66.8 | 31.8 | -9.8 | 0 | 0 | 0 | 119.4 | |||||
| 46 | F | 27.1 | Very low | 31.7 | Very low | 178 Ų | 178 | 133.7 Ų | 133.7 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | 29.9 | 137 | 142.8 | -55.9 | -76.3 | 0 | 0 | 0 | 119.7 | ||||
| 47 | I | 30 | Very low | 31.4 | Very low | 168 Ų | 168 | 136 Ų | 136 | 86% | 0.862 | 79% | 0.788 | S | S | * | * | -147 | 158.2 | 51.5 | -78.1 | 174.8 | 0 | 0 | 0 | 110.8 | |||||
| 48 | A | 29.3 | Very low | 31.4 | Very low | 86 Ų | 86 | 137 Ų | 137 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -91.9 | 146.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 49 | S | 31.4 | Very low | 32 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -162.2 | 154.2 | 134.6 | -80.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 50 | D | 29.1 | Very low | 32.1 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -64.8 | 135.4 | -169 | -148.4 | -86 | 0 | 0 | 0 | 112.9 | T52 | D50-T52 PolarHBondContact OD1-OG1 3.45Š| ||
| 51 | D | 35 | Very low | 32.7 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -133.6 | 101.3 | 173.2 | -157.7 | -12.2 | 0 | 0 | 0 | 108.1 | ||||
| 52 | T | 30.3 | Very low | 32.9 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | -123.3 | 110.6 | -179 | -66.1 | 0 | 0 | 0 | 0 | 109.2 | D50 | D50-T52 PolarHBondContact OD1-OG1 3.45Š| ||
| 53 | P | 32.2 | Very low | 33.3 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | trans | -77.1 | 134.9 | -173 | 29.6 | -34.9 | 0 | 0 | 0 | 112.6 | Q55 | P53-Q55 PolarHBondContact O-N 2.85Å; P53-Q55 VanDerWaalsContact O-N 3.14Å | ||
| 54 | C | 29.6 | Very low | 32.8 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | trans | -67.7 | 111 | 168.7 | -74.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 55 | Q | 28.6 | Very low | 32.9 | Very low | 190 Ų | 190 | 142.5 Ų | 142.5 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -70.6 | 133.8 | -175.2 | -173.8 | 174.4 | 53.8 | 0 | 0 | 112.7 | P53 | P53-Q55 PolarHBondContact O-N 2.85Å; P53-Q55 VanDerWaalsContact O-N 3.14Å | ||
| 56 | E | 35.1 | Very low | 32.9 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -76.5 | 156.6 | 172 | -159.1 | -172.1 | 104.9 | 0 | 0 | 111.7 | ||||
| 57 | Q | 32.8 | Very low | 33.4 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | 72.6 | 116.8 | 179.7 | -53.4 | -169.4 | 3.1 | 0 | 0 | 117.7 | ||||
| 58 | L | 28.1 | Very low | 33.7 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | -146.8 | 120.9 | 104 | -146 | 159.5 | 0 | 0 | 0 | 110.5 | E60 | L58-E60 HydrophobicContact CD2-CB 3.95Š| |||
| 59 | K | 44.7 | Very low | 33.9 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | -102.5 | 72.7 | -173.4 | -170.2 | 178.8 | -174.3 | 171.5 | 0 | 111.2 | ||||
| 60 | E | 29.3 | Very low | 34.3 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 66% | 0.659 | 77% | 0.773 | S | S | * | * | trans | -96 | 111.4 | -178.6 | -154.3 | 175.3 | 153.3 | 0 | 0 | 112.6 | L58 L62 | L58-E60 HydrophobicContact CD2-CB 3.95Å; E60-L62 HydrophobicContact CG-CD1 4.44Å; E60-L62 HydrophobicContact CG-CG 4.3Å; E60-L62 PolarHBondContact O-N 3.41Å | ||
| 61 | V | 42.2 | Very low | 35 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | trans | -85.8 | 93.2 | -178.3 | -180 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 62 | L | 33.3 | Very low | 36 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | -104.5 | 127.5 | 175.5 | -71.5 | 168.9 | 0 | 0 | 0 | 111.5 | E60 | E60-L62 HydrophobicContact CG-CD1 4.44Å; E60-L62 HydrophobicContact CG-CG 4.3Å; E60-L62 PolarHBondContact O-N 3.41Å | ||
| 63 | K | 38.1 | Very low | 37.7 | Very low | 208 Ų | 208 | 135.5 Ų | 135.5 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 123.9 | -176.4 | -71.3 | 177.5 | 175.4 | 176.6 | 0 | 111.6 | ||
| 64 | A | 32 | Very low | 39.8 | Very low | 64 Ų | 64 | 132.5 Ų | 132.5 | 53% | 0.529 | 73% | 0.733 | S | S | . | * | P | Polyproline II helix | trans | -96.4 | 162 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 65 | P | 35.3 | Very low | 42.4 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 77% | 0.766 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 141.1 | -174 | -19.3 | 33.3 | 0 | 0 | 0 | 113.8 | T67 | P65-T67 PolarHBondContact O-N 3.24Š|
| 66 | S | 38.3 | Very low | 45.1 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 87% | 0.867 | 67% | 0.672 | S | S | * | * | trans | -81.9 | 110.4 | 172.4 | 54.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 67 | T | 37.2 | Very low | 47.6 | Very low | 119 Ų | 119 | 118.8 Ų | 118.8 | 73% | 0.73 | 66% | 0.664 | S | S | * | * | trans | -134.8 | 122.8 | 172.3 | 51.8 | 0 | 0 | 0 | 0 | 112.7 | P65 | P65-T67 PolarHBondContact O-N 3.24Š| ||
| 68 | S | 36.8 | Very low | 50 | Low | 110 Ų | 110 | 113.4 Ų | 113.4 | 77% | 0.769 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 64.7 | 92.3 | 146.9 | -53.7 | 0 | 0 | 0 | 0 | 119.7 | ||
| 69 | G | 33.6 | Very low | 53 | Low | 75 Ų | 75 | 108.1 Ų | 108.1 | 77% | 0.773 | 62% | 0.624 | S | S | * | * | trans | 55.3 | 100.4 | 134.1 | 0 | 0 | 0 | 0 | 0 | 119 | Q71 | G69-Q71 PolarHBondContact O-N 2.79Š| ||
| 70 | L | 37.9 | Very low | 55.2 | Low | 135 Ų | 135 | 103.7 Ų | 103.7 | 71% | 0.707 | 61% | 0.605 | S | S | * | * | trans | -54.7 | 98.1 | 174.4 | -72.3 | 166.3 | 0 | 0 | 0 | 113.6 | E120 | L70-E120 HydrophobicContact CD2-CG 4.46Š| ||
| 71 | Q | 43.8 | Very low | 58.3 | Low | 160 Ų | 160 | 97 Ų | 97 | 75% | 0.748 | 57% | 0.574 | S | S | * | * | trans | -86.4 | 112.3 | 141.5 | -173.4 | 168.5 | 22.5 | 0 | 0 | 106.3 | G69 V73 | G69-Q71 PolarHBondContact O-N 2.79Å; Q71-V73 PolarHBondContact O-N 3.04Å | ||
| 72 | Q | 55.9 | Low | 60.6 | Low | 150 Ų | 150 | 94 Ų | 94 | 70% | 0.701 | 55% | 0.549 | S | S | * | . | trans | -68.2 | 95.1 | 176.5 | -79.2 | -177.1 | -32.6 | 0 | 0 | 109.5 | A74 | Q72-A74 PolarHBondContact O-N 3.42Š| ||
| 73 | V | 67.6 | Low | 63.4 | Low | 56 Ų | 56 | 87.6 Ų | 87.6 | 34% | 0.339 | 52% | 0.515 | S | S | . | . | trans | -74.5 | 115.5 | 177.1 | 177.4 | 0 | 0 | 0 | 0 | 108.8 | Q71 F75 | Q71-V73 PolarHBondContact O-N 3.04Å; V73-F75 VanDerWaalsContact C-N 3.29Å; V73-F75 HydrophobicContact CB-CE2 4.14Å; V73-F75 HydrophobicContact CB-CZ 4.19Å; V73-F75 HydrophobicContact CG1-CD1 4.15Å; V73-F75 HydrophobicContact CG1-CD2 4.39Å; V73-F75 HydrophobicContact CG1-CE1 3.86Å; V73-F75 HydrophobicContact CG1-CE2 4.12Å; V73-F75 HydrophobicContact CG1-CG 4.41Å; V73-F75 HydrophobicContact CG1-CZ 3.84Å; V73-F75 WeakPolarHBondContact O-CD2 3.41Å; V73-F75 PolarHBondContact O-N 2.59Å | ||
| 74 | A | 76.6 | Confident | 65.7 | Low | 46 Ų | 46 | 85.4 Ų | 85.4 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | trans | -76 | 76.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q72 Q76 W99 | Q72-A74 PolarHBondContact O-N 3.42Å; A74-Q76 PolarHBondContact O-N 3.17Å; A74-Q76 PolarHBondContact O-NE2 2.97Å; A74-W99 HydrophobicContact CB-CH2 3.63Å; A74-W99 HydrophobicContact CB-CZ2 3.83Å | ||
| 75 | F | 83.1 | Confident | 68.2 | Low | 6 Ų | 6 | 85 Ų | 85 | 3% | 0.026 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 129.6 | 174.5 | -67.8 | -67.8 | 0 | 0 | 0 | 111.5 | V73 V81 V94 V104 V119 V122 | V73-F75 VanDerWaalsContact C-N 3.29Å; V73-F75 HydrophobicContact CB-CE2 4.14Å; V73-F75 HydrophobicContact CB-CZ 4.19Å; V73-F75 HydrophobicContact CG1-CD1 4.15Å; V73-F75 HydrophobicContact CG1-CD2 4.39Å; V73-F75 HydrophobicContact CG1-CE1 3.86Å; V73-F75 HydrophobicContact CG1-CE2 4.12Å; V73-F75 HydrophobicContact CG1-CG 4.41Å; V73-F75 HydrophobicContact CG1-CZ 3.84Å; V73-F75 WeakPolarHBondContact O-CD2 3.41Å; V73-F75 PolarHBondContact O-N 2.59Å; F75-V81 HydrophobicContact CD1-CG1 3.82Å; F75-V81 HydrophobicContact CE1-CG1 3.75Å; F75-V94 HydrophobicContact CB-CG1 4.22Å; F75-V94 HydrophobicContact CB-CG2 4.14Å; F75-V94 HydrophobicContact CD1-CG2 4.25Å; F75-V94 HydrophobicContact CG-CG2 4.41Å; F75-V104 HydrophobicContact CD2-CG2 3.85Å; F75-V104 HydrophobicContact CE2-CG2 4.4Å; F75-V119 HydrophobicContact CD2-CG2 3.97Å; F75-V119 HydrophobicContact CE2-CG2 3.8Å; F75-V122 HydrophobicContact CD1-CG1 4.31Å; F75-V122 HydrophobicContact CE1-CB 4.41Å; F75-V122 HydrophobicContact CE1-CG1 3.73Å; F75-V122 HydrophobicContact CE2-CB 3.94Å; F75-V122 HydrophobicContact CE2-CG1 4.07Å; F75-V122 HydrophobicContact CZ-CB 3.76Å; F75-V122 HydrophobicContact CZ-CG1 3.59Å; F75-V122 WeakPolarHBondContact CZ-O 3.39Å |
| 76 | Q | 85.2 | Confident | 70.5 | Confident | 109 Ų | 109 | 89.8 Ų | 89.8 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -103.3 | 146.3 | -179.8 | -56.7 | -56.9 | -55.8 | 0 | 0 | 110.9 | A74 Q79 V94 | A74-Q76 PolarHBondContact O-N 3.17Å; A74-Q76 PolarHBondContact O-NE2 2.97Å; Q76-Q79 HydrophobicContact CB-CB 4.44Å; Q76-Q79 WeakPolarHBondContact O-CB 3.49Å; Q76-Q79 PolarHBondContact O-N 3.39Å; Q76-Q79 VanDerWaalsContact O-N 3.1Å; Q76-V94 WeakPolarHBondContact O-CB 3.49Å |
| 77 | P | 86.8 | Confident | 72.6 | Confident | 93 Ų | 93 | 87.3 Ų | 87.3 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 140 | 169.5 | -25.5 | 35.7 | 0 | 0 | 0 | 112.3 | Q79 V94 | P77-Q79 PolarHBondContact O-N 2.74Å; P77-V94 CarbonylContact C-O 3.55Å; P77-V94 WeakPolarHBondContact CA-O 3.31Å |
| 78 | G | 84.4 | Confident | 74.8 | Confident | 54 Ų | 54 | 86.6 Ų | 86.6 | 56% | 0.557 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | -4.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | V94 | G78-V94 PolarHBondContact N-O 3.14Š|
| 79 | Q | 90.8 | Very high | 77.3 | Confident | 42 Ų | 42 | 85.5 Ų | 85.5 | 20% | 0.196 | 46% | 0.455 | C | S | . | . | trans | -72.3 | 130 | -179 | -173 | 172.5 | -1.4 | 0 | 0 | 111.6 | Q76 P77 V81 L93 V94 L124 | Q76-Q79 HydrophobicContact CB-CB 4.44Å; Q76-Q79 WeakPolarHBondContact O-CB 3.49Å; Q76-Q79 PolarHBondContact O-N 3.39Å; Q76-Q79 VanDerWaalsContact O-N 3.1Å; P77-Q79 PolarHBondContact O-N 2.74Å; Q79-V81 HydrophobicContact CG-CG1 4.49Å; Q79-L93 WeakPolarHBondContact O-CA 3.04Å; Q79-V94 HydrophobicContact CB-CB 4.5Å; Q79-V94 HydrophobicContact CB-CG2 4.45Å; Q79-V94 PolarHBondContact O-N 2.91Å; Q79-L124 VanDerWaalsContact NE2-CD1 3.3Å | ||
| 80 | K | 91.9 | Very high | 80 | Confident | 102 Ų | 102 | 82.1 Ų | 82.1 | 44% | 0.443 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 128.3 | 177 | -166.2 | -171.7 | 176.4 | -172.4 | 0 | 111 | T91 G92 L93 A125 | K80-T91 HydrophobicContact CD-CG2 4.38Å; K80-T91 HydrophobicContact CG-CG2 4.13Å; K80-G92 WeakPolarHBondContact CA-O 3.41Å; K80-L93 HydrophobicContact CB-CD2 4.1Å; K80-L93 HydrophobicContact CG-CD2 4.34Å; K80-A125 HydrophobicContact CB-CB 4.01Å; K80-A125 HydrophobicContact CD-CB 3.79Å; K80-A125 HydrophobicContact CG-CB 3.63Å; K80-A125 WeakPolarHBondContact O-CB 3.4Å; K80-A125 PolarHBondContact O-N 3.33Å; K80-A125 VanDerWaalsContact O-N 3.08Å |
| 81 | V | 92.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 166.8 | -176.3 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | F75 Q79 V83 G92 V94 V106 V122 W123 | F75-V81 HydrophobicContact CD1-CG1 3.82Å; F75-V81 HydrophobicContact CE1-CG1 3.75Å; Q79-V81 HydrophobicContact CG-CG1 4.49Å; V81-V83 HydrophobicContact CG2-CG2 4.43Å; V81-G92 PolarHBondContact N-O 2.92Å; V81-G92 PolarHBondContact O-N 2.85Å; V81-V94 HydrophobicContact CB-CG2 4.31Å; V81-V94 HydrophobicContact CG1-CG2 3.61Å; V81-V94 HydrophobicContact CG2-CG2 3.71Å; V81-V106 HydrophobicContact CG2-CB 4.47Å; V81-V106 HydrophobicContact CG2-CG1 3.64Å; V81-V106 HydrophobicContact CG2-CG2 3.91Å; V81-V122 HydrophobicContact CB-CG1 3.56Å; V81-V122 HydrophobicContact CG1-CG1 3.72Å; V81-V122 HydrophobicContact CG2-CG1 3.83Å; V81-W123 CarbonylContact C-O 3.56Å; V81-W123 VanDerWaalsContact CA-O 3.31Å; V81-W123 WeakPolarHBondContact CA-O 3.47Å; V81-W123 WeakPolarHBondContact CB-O 3.48Å |
| 82 | Y | 90.5 | Very high | 84.9 | Confident | 67 Ų | 67 | 70 Ų | 70 | 26% | 0.263 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 143 | 171 | -70 | -79.8 | 0 | 0 | 0 | 109.9 | E89 C90 T91 V122 W123 A125 | Y82-E89 HydrophobicContact CD1-CG 3.78Å; Y82-E89 HydrophobicContact CG-CG 4.32Å; Y82-C90 WeakPolarHBondContact CA-O 3.35Å; Y82-T91 HydrophobicContact CE1-CG2 4.19Å; Y82-T91 WeakPolarHBondContact CE1-OG1 3.45Å; Y82-V122 WeakPolarHBondContact O-CA 3.39Å; Y82-W123 PolarHBondContact N-O 3.48Å; Y82-W123 PolarHBondContact O-N 2.87Å; Y82-W123 VanDerWaalsContact O-N 3.07Å; Y82-A125 HydrophobicContact CD2-CB 3.71Å; Y82-A125 HydrophobicContact CE2-CB 3.42Å; Y82-A125 VanDerWaalsContact CE2-CB 3.42Å |
| 83 | V | 92.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 143.8 | -176.8 | -177 | 0 | 0 | 0 | 0 | 109.8 | V81 Y85 C90 V106 C117 V122 | V81-V83 HydrophobicContact CG2-CG2 4.43Å; V83-Y85 PolarHBondContact O-N 2.76Å; V83-C90 PolarHBondContact N-O 3.38Å; V83-C90 PolarHBondContact O-N 3.1Å; V83-V106 HydrophobicContact CG2-CB 4.07Å; V83-V106 HydrophobicContact CG2-CG1 3.94Å; V83-V106 HydrophobicContact CG2-CG2 3.87Å; V83-C117 HydrophobicContact CG1-CB 4.05Å; V83-V122 HydrophobicContact CG2-CG1 4.33Å; V83-V122 HydrophobicContact CG2-CG2 4.14Å |
| 84 | W | 87.6 | Confident | 87.9 | Confident | 162 Ų | 162 | 63 Ų | 63 | 61% | 0.614 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 107.9 | 171.2 | -81.1 | 114.1 | 0 | 0 | 0 | 110.1 | E89 W123 | W84-E89 HydrophobicContact CE3-CB 4.47Å; W84-E89 HydrophobicContact CH2-CB 4.24Å; W84-E89 HydrophobicContact CZ3-CB 4.24Å; W84-W123 HydrophobicContact CB-CH2 4.23Å; W84-W123 AromaticContact CD1-CH2 3.1Å; W84-W123 AromaticContact CD1-CZ2 3.89Å; W84-W123 AromaticContact CD1-CZ3 3.76Å; W84-W123 HydrophobicContact CD2-CH2 4.46Å; W84-W123 AromaticContact CG-CH2 3.71Å; W84-W123 HydrophobicContact CG-CH2 3.71Å; W84-W123 HydrophobicContact CG-CZ2 4.41Å; W84-W123 AromaticContact NE1-CH2 3.44Å; W84-W123 AromaticContact NE1-CZ2 3.79Å |
| 85 | Y | 84.7 | Confident | 88.5 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 22% | 0.22 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.7 | 175 | -174.4 | -110.7 | 0 | 0 | 0 | 111 | V83 G87 Q88 L108 V115 | V83-Y85 PolarHBondContact O-N 2.76Å; Y85-G87 PolarHBondContact O-N 2.85Å; Y85-Q88 PolarHBondContact N-O 2.84Å; Y85-Q88 PolarHBondContact O-N 3.42Å; Y85-Q88 VanDerWaalsContact O-O 3.1Å; Y85-L108 HydrophobicContact CD1-CD1 3.76Å; Y85-L108 HydrophobicContact CE1-CD1 4.47Å; Y85-L108 HydrophobicContact CG-CD1 3.85Å; Y85-V115 HydrophobicContact CD2-CB 4.49Å; Y85-V115 HydrophobicContact CD2-CG1 3.93Å; Y85-V115 HydrophobicContact CD2-CG2 3.69Å; Y85-V115 HydrophobicContact CE2-CG1 4.31Å; Y85-V115 HydrophobicContact CE2-CG2 3.71Å; Y85-V115 HydrophobicContact CG-CG2 4.19Å |
| 86 | R | 82.8 | Confident | 88.7 | Confident | 219 Ų | 219 | 70.5 Ų | 70.5 | 83% | 0.826 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 26.6 | -179 | -65.3 | 179.2 | 178.3 | -113.3 | -0.4 | 115.2 | ||
| 87 | G | 82.2 | Confident | 88.7 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 74% | 0.742 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y85 | Y85-G87 PolarHBondContact O-N 2.85Š|
| 88 | Q | 83.7 | Confident | 88.5 | Confident | 104 Ų | 104 | 63.5 Ų | 63.5 | 49% | 0.486 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 149.1 | 171.5 | -176.5 | 175.8 | -39.1 | 0 | 0 | 110.2 | Y85 C90 E110 | Y85-Q88 PolarHBondContact N-O 2.84Å; Y85-Q88 PolarHBondContact O-N 3.42Å; Y85-Q88 VanDerWaalsContact O-O 3.1Å; Q88-C90 PolarHBondContact O-N 2.8Å; Q88-E110 PolarHBondContact NE2-OE2 3.03Å |
| 89 | E | 89.2 | Confident | 88 | Confident | 87 Ų | 87 | 67.7 Ų | 67.7 | 41% | 0.407 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 114 | 166.7 | 177 | 173 | -140.7 | 0 | 0 | 108.8 | Y82 W84 W123 | Y82-E89 HydrophobicContact CD1-CG 3.78Å; Y82-E89 HydrophobicContact CG-CG 4.32Å; W84-E89 HydrophobicContact CE3-CB 4.47Å; W84-E89 HydrophobicContact CH2-CB 4.24Å; W84-E89 HydrophobicContact CZ3-CB 4.24Å; E89-W123 HydrophobicContact CG-CZ2 4.17Å; E89-W123 PolarHBondContact OE1-NE1 3.48Å |
| 90 | C | 89.8 | Confident | 87.1 | Confident | 3 Ų | 3 | 74.8 Ų | 74.8 | 2% | 0.02 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 139.8 | -179.6 | -65.9 | 0 | 0 | 0 | 0 | 110 | Y82 V83 Q88 L108 | Y82-C90 WeakPolarHBondContact CA-O 3.35Å; V83-C90 PolarHBondContact N-O 3.38Å; V83-C90 PolarHBondContact O-N 3.1Å; Q88-C90 PolarHBondContact O-N 2.8Å; C90-L108 HydrophobicContact CB-CD1 3.91Å; C90-L108 HydrophobicContact CB-CD2 3.76Å; C90-L108 HydrophobicContact CB-CG 4.36Å |
| 91 | T | 92.7 | Very high | 86.3 | Confident | 40 Ų | 40 | 76.2 Ų | 76.2 | 25% | 0.245 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 133.3 | 174.9 | -48.8 | 0 | 0 | 0 | 0 | 110.2 | K80 Y82 L109 | K80-T91 HydrophobicContact CD-CG2 4.38Å; K80-T91 HydrophobicContact CG-CG2 4.13Å; Y82-T91 HydrophobicContact CE1-CG2 4.19Å; Y82-T91 WeakPolarHBondContact CE1-OG1 3.45Å; T91-L109 HydrophobicContact CG2-CD1 4.49Å; T91-L109 PolarHBondContact O-N 3.41Å |
| 92 | G | 92.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 179.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K80 V81 W107 | K80-G92 WeakPolarHBondContact CA-O 3.41Å; V81-G92 PolarHBondContact N-O 2.92Å; V81-G92 PolarHBondContact O-N 2.85Å; G92-W107 CarbonylContact C-O 3.59Å; G92-W107 WeakPolarHBondContact CA-O 2.97Å |
| 93 | L | 92.7 | Very high | 85.7 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 31% | 0.314 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134.3 | 170 | -56.8 | 179.9 | 0 | 0 | 0 | 108.7 | Q79 K80 E95 V106 W107 L109 | Q79-L93 WeakPolarHBondContact O-CA 3.04Å; K80-L93 HydrophobicContact CB-CD2 4.1Å; K80-L93 HydrophobicContact CG-CD2 4.34Å; L93-E95 PolarHBondContact O-N 2.86Å; L93-V106 CarbonylContact O-C 3.51Å; L93-V106 WeakPolarHBondContact O-CA 3.49Å; L93-W107 PolarHBondContact N-O 3.34Å; L93-W107 PolarHBondContact O-N 2.81Å; L93-L109 HydrophobicContact CD1-CD2 4.16Å; L93-L109 HydrophobicContact CD2-CD1 4.33Å; L93-L109 HydrophobicContact CG-CD1 4.24Å; L93-L109 HydrophobicContact CG-CD2 4.14Å; L93-L109 HydrophobicContact CG-CG 4.36Å |
| 94 | V | 93.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 77.6 Ų | 77.6 | 1% | 0.006 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 129.5 | 170.8 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | F75 Q76 P77 G78 Q79 V81 V104 V106 | F75-V94 HydrophobicContact CB-CG1 4.22Å; F75-V94 HydrophobicContact CB-CG2 4.14Å; F75-V94 HydrophobicContact CD1-CG2 4.25Å; F75-V94 HydrophobicContact CG-CG2 4.41Å; Q76-V94 WeakPolarHBondContact O-CB 3.49Å; P77-V94 CarbonylContact C-O 3.55Å; P77-V94 WeakPolarHBondContact CA-O 3.31Å; G78-V94 PolarHBondContact N-O 3.14Å; Q79-V94 HydrophobicContact CB-CB 4.5Å; Q79-V94 HydrophobicContact CB-CG2 4.45Å; Q79-V94 PolarHBondContact O-N 2.91Å; V81-V94 HydrophobicContact CB-CG2 4.31Å; V81-V94 HydrophobicContact CG1-CG2 3.61Å; V81-V94 HydrophobicContact CG2-CG2 3.71Å; V94-V104 HydrophobicContact CG1-CG1 3.89Å; V94-V104 HydrophobicContact CG2-CG1 3.99Å; V94-V106 HydrophobicContact CG2-CG2 4.38Å |
| 95 | E | 90.4 | Very high | 85.9 | Confident | 81 Ų | 81 | 71 Ų | 71 | 38% | 0.379 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -42.3 | 172.1 | -66 | -177.2 | 119.9 | 0 | 0 | 110.9 | L93 T105 W107 Q114 | L93-E95 PolarHBondContact O-N 2.86Å; E95-T105 PolarHBondContact N-O 3.3Å; E95-W107 HydrophobicContact CG-CB 3.9Å; E95-Q114 WeakPolarHBondContact OE2-CG 3.31Å; E95-Q114 PolarHBondContact OE2-NE2 2.91Å |
| 96 | Q | 86.2 | Confident | 86.3 | Confident | 127 Ų | 127 | 68.4 Ų | 68.4 | 59% | 0.593 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 146.1 | -177 | -163.8 | 175.4 | 22 | 0 | 0 | 111.3 | T105 | Q96-T105 PolarHBondContact N-O 3Å; Q96-T105 PolarHBondContact O-N 2.9Å |
| 97 | H | 86.6 | Confident | 86.9 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 12% | 0.116 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 108.3 | 173.2 | -179.2 | -170.8 | 0 | 0 | 0 | 108.7 | W99 | H97-W99 AromaticContact CE1-CD2 3.69Å; H97-W99 AromaticContact CE1-CE2 3.53Å; H97-W99 AromaticContact CE1-CE3 3.83Å; H97-W99 AromaticContact CE1-CH2 3.77Å; H97-W99 AromaticContact CE1-CZ2 3.58Å; H97-W99 AromaticContact CE1-CZ3 3.87Å; H97-W99 AromaticContact CG-NE1 3.94Å; H97-W99 AromaticContact ND1-CE2 3.45Å; H97-W99 AromaticContact ND1-CZ2 3.57Å; H97-W99 AromaticContact ND1-NE1 3.64Å; H97-W99 VanDerWaalsContact O-CD1 3.31Å; H97-W99 PolarHBondContact O-N 2.89Å |
| 98 | S | 82 | Confident | 87.3 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 22% | 0.217 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 85.7 | 178.4 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | M100 E101 G102 Q103 | S98-M100 PolarHBondContact O-N 3.12Å; S98-M100 VanDerWaalsContact O-N 3.17Å; S98-E101 VanDerWaalsContact CB-OE2 3.31Å; S98-E101 WeakPolarHBondContact CB-OE2 3.36Å; S98-E101 PolarHBondContact O-N 2.92Å; S98-E101 WeakPolarHBondContact OG-CG 3.46Å; S98-E101 PolarHBondContact OG-OE2 3.08Å; S98-G102 PolarHBondContact O-N 2.9Å; S98-Q103 PolarHBondContact N-O 3.25Å; S98-Q103 PolarHBondContact O-N 2.92Å |
| 99 | W | 73.7 | Confident | 87.5 | Confident | 141 Ų | 141 | 58.1 Ų | 58.1 | 53% | 0.534 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -28.1 | -178.8 | -68.9 | 90.5 | 0 | 0 | 0 | 114.5 | A74 H97 | A74-W99 HydrophobicContact CB-CH2 3.63Å; A74-W99 HydrophobicContact CB-CZ2 3.83Å; H97-W99 AromaticContact CE1-CD2 3.69Å; H97-W99 AromaticContact CE1-CE2 3.53Å; H97-W99 AromaticContact CE1-CE3 3.83Å; H97-W99 AromaticContact CE1-CH2 3.77Å; H97-W99 AromaticContact CE1-CZ2 3.58Å; H97-W99 AromaticContact CE1-CZ3 3.87Å; H97-W99 AromaticContact CG-NE1 3.94Å; H97-W99 AromaticContact ND1-CE2 3.45Å; H97-W99 AromaticContact ND1-CZ2 3.57Å; H97-W99 AromaticContact ND1-NE1 3.64Å; H97-W99 VanDerWaalsContact O-CD1 3.31Å; H97-W99 PolarHBondContact O-N 2.89Å |
| 100 | M | 71.8 | Confident | 87.3 | Confident | 191 Ų | 191 | 60.4 Ų | 60.4 | 94% | 0.941 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -22.1 | 179.1 | -58.7 | -169.8 | -166.6 | 0 | 0 | 112.9 | S98 | S98-M100 PolarHBondContact O-N 3.12Å; S98-M100 VanDerWaalsContact O-N 3.17Å |
| 101 | E | 75.2 | Confident | 87.1 | Confident | 132 Ų | 132 | 63 Ų | 63 | 62% | 0.617 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | -8.4 | -173.1 | -59.1 | 174.5 | 126.7 | 0 | 0 | 112.8 | S98 Q103 | S98-E101 VanDerWaalsContact CB-OE2 3.31Å; S98-E101 WeakPolarHBondContact CB-OE2 3.36Å; S98-E101 PolarHBondContact O-N 2.92Å; S98-E101 WeakPolarHBondContact OG-CG 3.46Å; S98-E101 PolarHBondContact OG-OE2 3.08Å; E101-Q103 HydrophobicContact CB-CB 4.5Å; E101-Q103 HydrophobicContact CB-CG 4.34Å; E101-Q103 PolarHBondContact O-N 2.9Å |
| 102 | G | 81.9 | Confident | 86.8 | Confident | 27 Ų | 27 | 68.5 Ų | 68.5 | 28% | 0.278 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 21.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S98 R118 V119 | S98-G102 PolarHBondContact O-N 2.9Å; G102-R118 CarbonylContact O-C 3.57Å; G102-R118 WeakPolarHBondContact O-CA 3.41Å; G102-V119 PolarHBondContact O-N 3.42Å |
| 103 | Q | 88.6 | Confident | 86.7 | Confident | 71 Ų | 71 | 72.8 Ų | 72.8 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 143.3 | -176.1 | -70.3 | -176.1 | 94.3 | 0 | 0 | 112.1 | S98 E101 C117 | S98-Q103 PolarHBondContact N-O 3.25Å; S98-Q103 PolarHBondContact O-N 2.92Å; E101-Q103 HydrophobicContact CB-CB 4.5Å; E101-Q103 HydrophobicContact CB-CG 4.34Å; E101-Q103 PolarHBondContact O-N 2.9Å; Q103-C117 CarbonylContact C-O 3.49Å; Q103-C117 WeakPolarHBondContact CA-O 3.38Å |
| 104 | V | 91.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.8 | 173.3 | -173.4 | 0 | 0 | 0 | 0 | 108.1 | F75 V94 V106 C117 V119 V122 | F75-V104 HydrophobicContact CD2-CG2 3.85Å; F75-V104 HydrophobicContact CE2-CG2 4.4Å; V94-V104 HydrophobicContact CG1-CG1 3.89Å; V94-V104 HydrophobicContact CG2-CG1 3.99Å; V104-V106 HydrophobicContact CG1-CG2 3.85Å; V104-C117 PolarHBondContact N-O 2.83Å; V104-C117 PolarHBondContact O-N 2.84Å; V104-C117 PolarHBondContact O-SG 2.89Å; V104-V119 HydrophobicContact CG2-CB 4.11Å; V104-V119 HydrophobicContact CG2-CG2 4.07Å; V104-V122 HydrophobicContact CB-CG2 3.96Å; V104-V122 HydrophobicContact CG1-CG2 4.28Å; V104-V122 HydrophobicContact CG2-CG2 4.3Å |
| 105 | T | 91.7 | Very high | 86.4 | Confident | 24 Ų | 24 | 76.5 Ų | 76.5 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.1 | 175 | -55.2 | 0 | 0 | 0 | 0 | 108.5 | E95 Q96 Q114 | E95-T105 PolarHBondContact N-O 3.3Å; Q96-T105 PolarHBondContact N-O 3Å; Q96-T105 PolarHBondContact O-N 2.9Å; T105-Q114 VanDerWaalsContact CG2-CD 3.49Å; T105-Q114 HydrophobicContact CG2-CG 3.37Å |
| 106 | V | 93.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127 | -174.6 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | V81 V83 L93 V94 V104 L108 V115 V122 | V81-V106 HydrophobicContact CG2-CB 4.47Å; V81-V106 HydrophobicContact CG2-CG1 3.64Å; V81-V106 HydrophobicContact CG2-CG2 3.91Å; V83-V106 HydrophobicContact CG2-CB 4.07Å; V83-V106 HydrophobicContact CG2-CG1 3.94Å; V83-V106 HydrophobicContact CG2-CG2 3.87Å; L93-V106 CarbonylContact O-C 3.51Å; L93-V106 WeakPolarHBondContact O-CA 3.49Å; V94-V106 HydrophobicContact CG2-CG2 4.38Å; V104-V106 HydrophobicContact CG1-CG2 3.85Å; V106-L108 HydrophobicContact CG1-CD2 4.2Å; V106-V115 PolarHBondContact N-O 2.87Å; V106-V115 PolarHBondContact O-N 2.86Å; V106-V122 HydrophobicContact CG2-CG2 4.44Å |
| 107 | W | 94.7 | Very high | 86.4 | Confident | 96 Ų | 96 | 70.8 Ų | 70.8 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 109.5 | 170.8 | -175.5 | -93.1 | 0 | 0 | 0 | 110.6 | G92 L93 E95 L109 K112 Q114 | G92-W107 CarbonylContact C-O 3.59Å; G92-W107 WeakPolarHBondContact CA-O 2.97Å; L93-W107 PolarHBondContact N-O 3.34Å; L93-W107 PolarHBondContact O-N 2.81Å; E95-W107 HydrophobicContact CG-CB 3.9Å; W107-L109 PolarHBondContact O-N 3.42Å; W107-K112 HydrophobicContact CZ2-CB 4.24Å; W107-Q114 HydrophobicContact CE3-CB 4.1Å; W107-Q114 HydrophobicContact CZ3-CB 4.26Å |
| 108 | L | 92.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 119.1 | 178.9 | -60.7 | -172.9 | 0 | 0 | 0 | 110.9 | Y85 C90 V106 Q111 K112 L113 V115 | Y85-L108 HydrophobicContact CD1-CD1 3.76Å; Y85-L108 HydrophobicContact CE1-CD1 4.47Å; Y85-L108 HydrophobicContact CG-CD1 3.85Å; C90-L108 HydrophobicContact CB-CD1 3.91Å; C90-L108 HydrophobicContact CB-CD2 3.76Å; C90-L108 HydrophobicContact CB-CG 4.36Å; V106-L108 HydrophobicContact CG1-CD2 4.2Å; L108-Q111 HydrophobicContact CB-CB 4.07Å; L108-Q111 HydrophobicContact CD1-CB 4.36Å; L108-Q111 HydrophobicContact CD1-CG 4.46Å; L108-K112 VanDerWaalsContact O-CA 3.28Å; L108-K112 WeakPolarHBondContact O-CA 3.44Å; L108-K112 PolarHBondContact O-N 3.18Å; L108-L113 WeakPolarHBondContact CB-O 3.4Å; L108-L113 PolarHBondContact N-O 3.43Å; L108-V115 HydrophobicContact CD1-CG2 3.68Å; L108-V115 HydrophobicContact CG-CG2 4.03Å |
| 109 | L | 87.2 | Confident | 86.6 | Confident | 83 Ų | 83 | 75.4 Ų | 75.4 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -36.3 | -171.3 | -70.6 | 169.5 | 0 | 0 | 0 | 113.4 | T91 L93 W107 | T91-L109 HydrophobicContact CG2-CD1 4.49Å; T91-L109 PolarHBondContact O-N 3.41Å; L93-L109 HydrophobicContact CD1-CD2 4.16Å; L93-L109 HydrophobicContact CD2-CD1 4.33Å; L93-L109 HydrophobicContact CG-CD1 4.24Å; L93-L109 HydrophobicContact CG-CD2 4.14Å; L93-L109 HydrophobicContact CG-CG 4.36Å; W107-L109 PolarHBondContact O-N 3.42Å |
| 110 | E | 85 | Confident | 87.1 | Confident | 135 Ų | 135 | 74.4 Ų | 74.4 | 63% | 0.631 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -36.9 | -178.9 | 178.9 | -178.9 | -127.4 | 0 | 0 | 111.5 | Q88 | Q88-E110 PolarHBondContact NE2-OE2 3.03Š|
| 111 | Q | 84.8 | Confident | 87.7 | Confident | 57 Ų | 57 | 68 Ų | 68 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -15.2 | -177.8 | -65.8 | 69.5 | 30.4 | 0 | 0 | 113.5 | L108 L113 | L108-Q111 HydrophobicContact CB-CB 4.07Å; L108-Q111 HydrophobicContact CD1-CB 4.36Å; L108-Q111 HydrophobicContact CD1-CG 4.46Å; Q111-L113 VanDerWaalsContact C-N 3.26Å; Q111-L113 PolarHBondContact O-N 3Å |
| 112 | K | 87.1 | Confident | 88.2 | Confident | 156 Ų | 156 | 62.2 Ų | 62.2 | 68% | 0.678 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 41.1 | -174.6 | -59.7 | -175.5 | -179.7 | -179.3 | 0 | 113.6 | W107 L108 | W107-K112 HydrophobicContact CZ2-CB 4.24Å; L108-K112 VanDerWaalsContact O-CA 3.28Å; L108-K112 WeakPolarHBondContact O-CA 3.44Å; L108-K112 PolarHBondContact O-N 3.18Å |
| 113 | L | 90.7 | Very high | 88.5 | Confident | 91 Ų | 91 | 64.9 Ų | 64.9 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.9 | -177.5 | -75 | 168.1 | 0 | 0 | 0 | 110 | L108 Q111 | L108-L113 WeakPolarHBondContact CB-O 3.4Å; L108-L113 PolarHBondContact N-O 3.43Å; Q111-L113 VanDerWaalsContact C-N 3.26Å; Q111-L113 PolarHBondContact O-N 3Å |
| 114 | Q | 90.4 | Very high | 88.4 | Confident | 119 Ų | 119 | 65.9 Ų | 65.9 | 56% | 0.556 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 135.4 | 171.1 | -174.3 | 177.9 | 74.1 | 0 | 0 | 109.8 | E95 T105 W107 | E95-Q114 WeakPolarHBondContact OE2-CG 3.31Å; E95-Q114 PolarHBondContact OE2-NE2 2.91Å; T105-Q114 VanDerWaalsContact CG2-CD 3.49Å; T105-Q114 HydrophobicContact CG2-CG 3.37Å; W107-Q114 HydrophobicContact CE3-CB 4.1Å; W107-Q114 HydrophobicContact CZ3-CB 4.26Å |
| 115 | V | 90.3 | Very high | 87.8 | Confident | 19 Ų | 19 | 66.1 Ų | 66.1 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 123.4 | 177.3 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | Y85 V106 L108 | Y85-V115 HydrophobicContact CD2-CB 4.49Å; Y85-V115 HydrophobicContact CD2-CG1 3.93Å; Y85-V115 HydrophobicContact CD2-CG2 3.69Å; Y85-V115 HydrophobicContact CE2-CG1 4.31Å; Y85-V115 HydrophobicContact CE2-CG2 3.71Å; Y85-V115 HydrophobicContact CG-CG2 4.19Å; V106-V115 PolarHBondContact N-O 2.87Å; V106-V115 PolarHBondContact O-N 2.86Å; L108-V115 HydrophobicContact CD1-CG2 3.68Å; L108-V115 HydrophobicContact CG-CG2 4.03Å |
| 116 | S | 88.5 | Confident | 86.7 | Confident | 77 Ų | 77 | 73.6 Ų | 73.6 | 54% | 0.538 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 133 | 162.2 | 52.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 117 | C | 88.1 | Confident | 84.3 | Confident | 11 Ų | 11 | 81.6 Ų | 81.6 | 7% | 0.074 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 165.2 | 179.5 | 54.3 | 0 | 0 | 0 | 0 | 109.2 | V83 Q103 V104 E121 V122 | V83-C117 HydrophobicContact CG1-CB 4.05Å; Q103-C117 CarbonylContact C-O 3.49Å; Q103-C117 WeakPolarHBondContact CA-O 3.38Å; V104-C117 PolarHBondContact N-O 2.83Å; V104-C117 PolarHBondContact O-N 2.84Å; V104-C117 PolarHBondContact O-SG 2.89Å; C117-E121 HydrophobicContact CB-CB 4.27Å; C117-V122 WeakPolarHBondContact SG-CG2 3.12Å |
| 118 | R | 86.8 | Confident | 81.8 | Confident | 126 Ų | 126 | 86 Ų | 86 | 48% | 0.475 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 154 | 179.7 | -59.6 | 180 | -71 | 154 | 0.2 | 110.4 | G102 E120 E121 | G102-R118 CarbonylContact O-C 3.57Å; G102-R118 WeakPolarHBondContact O-CA 3.41Å; R118-E120 WeakPolarHBondContact CB-OE2 3.28Å; R118-E120 PolarHBondContact O-N 2.9Å; R118-E120 VanDerWaalsContact O-N 3.12Å; R118-E121 HydrophobicContact CB-CG 4.19Å; R118-E121 WeakPolarHBondContact CB-OE2 3.37Å; R118-E121 IonicContact CZ-OE1 3.5Å; R118-E121 PolarHBondContact N-OE2 3.07Å; R118-E121 IonicContact NE-OE1 2.66Å; R118-E121 PolarHBondContact NE-OE1 3Å; R118-E121 IonicContact NE-OE2 2.65Å; R118-E121 IonicContact NH2-OE1 3.19Å; R118-E121 PolarHBondContact NH2-OE1 3.41Å; R118-E121 WeakPolarHBondContact O-CA 3.43Å; R118-E121 WeakPolarHBondContact O-CB 3.43Å; R118-E121 PolarHBondContact O-N 3.02Å |
| 119 | V | 85.3 | Confident | 78.9 | Confident | 28 Ų | 28 | 88.8 Ų | 88.8 | 17% | 0.17 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -59.7 | -26.1 | -177.5 | 70.4 | 0 | 0 | 0 | 0 | 113 | F75 G102 V104 E121 | F75-V119 HydrophobicContact CD2-CG2 3.97Å; F75-V119 HydrophobicContact CE2-CG2 3.8Å; G102-V119 PolarHBondContact O-N 3.42Å; V104-V119 HydrophobicContact CG2-CB 4.11Å; V104-V119 HydrophobicContact CG2-CG2 4.07Å; V119-E121 VanDerWaalsContact C-N 3.32Å |
| 120 | E | 84.3 | Confident | 76.4 | Confident | 119 Ų | 119 | 91.4 Ų | 91.4 | 56% | 0.556 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -80.2 | -8.6 | 173.8 | -50 | 86.9 | 169.7 | 0 | 0 | 114.1 | L70 R118 | L70-E120 HydrophobicContact CD2-CG 4.46Å; R118-E120 WeakPolarHBondContact CB-OE2 3.28Å; R118-E120 PolarHBondContact O-N 2.9Å; R118-E120 VanDerWaalsContact O-N 3.12Å |
| 121 | E | 83.6 | Confident | 73.8 | Confident | 57 Ų | 57 | 90.3 Ų | 90.3 | 27% | 0.266 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -100.6 | 12.1 | 179.1 | -61.9 | 168.6 | 159.3 | 0 | 0 | 112.1 | C117 R118 V119 W123 | C117-E121 HydrophobicContact CB-CB 4.27Å; R118-E121 HydrophobicContact CB-CG 4.19Å; R118-E121 WeakPolarHBondContact CB-OE2 3.37Å; R118-E121 IonicContact CZ-OE1 3.5Å; R118-E121 PolarHBondContact N-OE2 3.07Å; R118-E121 IonicContact NE-OE1 2.66Å; R118-E121 PolarHBondContact NE-OE1 3Å; R118-E121 IonicContact NE-OE2 2.65Å; R118-E121 IonicContact NH2-OE1 3.19Å; R118-E121 PolarHBondContact NH2-OE1 3.41Å; R118-E121 WeakPolarHBondContact O-CA 3.43Å; R118-E121 WeakPolarHBondContact O-CB 3.43Å; R118-E121 PolarHBondContact O-N 3.02Å; V119-E121 VanDerWaalsContact C-N 3.32Å; E121-W123 VanDerWaalsContact C-CZ3 3.46Å; E121-W123 WeakPolarHBondContact O-CZ3 3.43Å |
| 122 | V | 85.7 | Confident | 71.4 | Confident | 11 Ų | 11 | 93.4 Ų | 93.4 | 7% | 0.067 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.8 | 178.5 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | F75 V81 Y82 V83 V104 V106 C117 | F75-V122 HydrophobicContact CD1-CG1 4.31Å; F75-V122 HydrophobicContact CE1-CB 4.41Å; F75-V122 HydrophobicContact CE1-CG1 3.73Å; F75-V122 HydrophobicContact CE2-CB 3.94Å; F75-V122 HydrophobicContact CE2-CG1 4.07Å; F75-V122 HydrophobicContact CZ-CB 3.76Å; F75-V122 HydrophobicContact CZ-CG1 3.59Å; F75-V122 WeakPolarHBondContact CZ-O 3.39Å; V81-V122 HydrophobicContact CB-CG1 3.56Å; V81-V122 HydrophobicContact CG1-CG1 3.72Å; V81-V122 HydrophobicContact CG2-CG1 3.83Å; Y82-V122 WeakPolarHBondContact O-CA 3.39Å; V83-V122 HydrophobicContact CG2-CG1 4.33Å; V83-V122 HydrophobicContact CG2-CG2 4.14Å; V104-V122 HydrophobicContact CB-CG2 3.96Å; V104-V122 HydrophobicContact CG1-CG2 4.28Å; V104-V122 HydrophobicContact CG2-CG2 4.3Å; V106-V122 HydrophobicContact CG2-CG2 4.44Å; C117-V122 WeakPolarHBondContact SG-CG2 3.12Å |
| 123 | W | 88.4 | Confident | 69 | Low | 83 Ų | 83 | 95.1 Ų | 95.1 | 31% | 0.314 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 151.9 | 170.1 | 45.4 | 104.1 | 0 | 0 | 0 | 111.6 | V81 Y82 W84 E89 E121 | V81-W123 CarbonylContact C-O 3.56Å; V81-W123 VanDerWaalsContact CA-O 3.31Å; V81-W123 WeakPolarHBondContact CA-O 3.47Å; V81-W123 WeakPolarHBondContact CB-O 3.48Å; Y82-W123 PolarHBondContact N-O 3.48Å; Y82-W123 PolarHBondContact O-N 2.87Å; Y82-W123 VanDerWaalsContact O-N 3.07Å; W84-W123 HydrophobicContact CB-CH2 4.23Å; W84-W123 AromaticContact CD1-CH2 3.1Å; W84-W123 AromaticContact CD1-CZ2 3.89Å; W84-W123 AromaticContact CD1-CZ3 3.76Å; W84-W123 HydrophobicContact CD2-CH2 4.46Å; W84-W123 AromaticContact CG-CH2 3.71Å; W84-W123 HydrophobicContact CG-CH2 3.71Å; W84-W123 HydrophobicContact CG-CZ2 4.41Å; W84-W123 AromaticContact NE1-CH2 3.44Å; W84-W123 AromaticContact NE1-CZ2 3.79Å; E89-W123 HydrophobicContact CG-CZ2 4.17Å; E89-W123 PolarHBondContact OE1-NE1 3.48Å; E121-W123 VanDerWaalsContact C-CZ3 3.46Å; E121-W123 WeakPolarHBondContact O-CZ3 3.43Å |
| 124 | L | 86.3 | Confident | 66.2 | Low | 92 Ų | 92 | 95 Ų | 95 | 48% | 0.482 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 128.9 | -172.1 | -154.2 | 163.8 | 0 | 0 | 0 | 109.9 | Q79 E126 | Q79-L124 VanDerWaalsContact NE2-CD1 3.3Å; L124-E126 PolarHBondContact O-N 2.66Å |
| 125 | A | 78.9 | Confident | 63.2 | Low | 5 Ų | 5 | 97.5 Ų | 97.5 | 4% | 0.041 | 54% | 0.537 | C | S | . | . | trans | -75 | 94 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | K80 Y82 L127 | K80-A125 HydrophobicContact CB-CB 4.01Å; K80-A125 HydrophobicContact CD-CB 3.79Å; K80-A125 HydrophobicContact CG-CB 3.63Å; K80-A125 WeakPolarHBondContact O-CB 3.4Å; K80-A125 PolarHBondContact O-N 3.33Å; K80-A125 VanDerWaalsContact O-N 3.08Å; Y82-A125 HydrophobicContact CD2-CB 3.71Å; Y82-A125 HydrophobicContact CE2-CB 3.42Å; Y82-A125 VanDerWaalsContact CE2-CB 3.42Å; A125-L127 PolarHBondContact O-N 2.95Å | ||
| 126 | E | 67.8 | Low | 61.1 | Low | 180 Ų | 180 | 101.8 Ų | 101.8 | 84% | 0.841 | 57% | 0.565 | S | S | * | * | trans | -57.4 | 131.6 | -174.8 | -155.7 | 167.7 | -141.9 | 0 | 0 | 111.6 | L124 Q128 | L124-E126 PolarHBondContact O-N 2.66Å; E126-Q128 PolarHBondContact O-N 3.38Å | ||
| 127 | L | 45.4 | Very low | 58.4 | Low | 169 Ų | 169 | 105.9 Ų | 105.9 | 89% | 0.885 | 58% | 0.58 | S | S | * | * | trans | -73.1 | 101 | -171.3 | -73.9 | 170.7 | 0 | 0 | 0 | 110.8 | A125 G129 | A125-L127 PolarHBondContact O-N 2.95Å; L127-G129 PolarHBondContact O-N 3.25Å | ||
| 128 | Q | 40.3 | Very low | 55.9 | Low | 189 Ų | 189 | 113.4 Ų | 113.4 | 88% | 0.883 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 117.6 | 169.2 | -69.7 | 178.9 | -12.7 | 0 | 0 | 109.9 | E126 | E126-Q128 PolarHBondContact O-N 3.38Š|
| 129 | G | 31.2 | Very low | 53.7 | Low | 58 Ų | 58 | 112.7 Ų | 112.7 | 60% | 0.598 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 165 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L127 C131 | L127-G129 PolarHBondContact O-N 3.25Å; G129-C131 PolarHBondContact O-N 3.32Å |
| 130 | P | 35.5 | Very low | 51 | Low | 137 Ų | 137 | 115 Ų | 115 | 89% | 0.89 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -62 | 129.1 | -172.9 | -23.4 | 34.6 | 0 | 0 | 0 | 113.5 | ||
| 131 | C | 30.5 | Very low | 48.6 | Very low | 113 Ų | 113 | 113.8 Ų | 113.8 | 76% | 0.764 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 129.1 | 171.6 | -167.2 | 0 | 0 | 0 | 0 | 110.2 | G129 | G129-C131 PolarHBondContact O-N 3.32Š|
| 132 | P | 35 | Very low | 46.3 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 79% | 0.792 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 141.1 | 175.1 | -21.5 | 33.5 | 0 | 0 | 0 | 112.5 | ||
| 133 | Q | 35.8 | Very low | 44 | Very low | 191 Ų | 191 | 125.2 Ų | 125.2 | 89% | 0.893 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 133.9 | -177.6 | -69.3 | -163.1 | 1.9 | 0 | 0 | 114.4 | ||
| 134 | A | 31.9 | Very low | 41.5 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 23.5 | 137.8 | 140.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 135 | L | 28.2 | Very low | 39.5 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | -136.1 | 158.2 | 137.9 | -76.1 | -178.6 | 0 | 0 | 0 | 110.2 | ||||
| 136 | P | 45.3 | Very low | 37.4 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 71% | 0.708 | 82% | 0.819 | S | S | * | * | trans | -127.3 | 158 | -157.4 | 40.7 | -26.5 | 0 | 0 | 0 | 117.6 | ||||
| 137 | L | 32 | Very low | 36.2 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | 179.5 | 113.2 | 147.8 | -117.9 | 70.1 | 0 | 0 | 0 | 106.1 | ||||
| 138 | E | 35.5 | Very low | 36.5 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | 68.5 | 146.4 | 80.7 | -73.9 | -66.3 | 95.6 | 0 | 0 | 115.9 | |||||
| 139 | P | 40.3 | Very low | 36.3 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | -130.5 | 149.3 | -60.2 | 34.3 | -18 | 0 | 0 | 0 | 113.2 | |||||
| 140 | G | 28.9 | Very low | 37.8 | Very low | 77 Ų | 77 | 141 Ų | 141 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -158.1 | 52.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 141 | A | 33.3 | Very low | 38.5 | Very low | 93 Ų | 93 | 145.2 Ų | 145.2 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | 55.4 | 130 | 153.2 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 142 | Q | 35.9 | Very low | 39.3 | Very low | 206 Ų | 206 | 147.7 Ų | 147.7 | 96% | 0.963 | 83% | 0.829 | S | S | * | * | trans | 79.4 | 140.9 | 162.3 | -58.9 | -175.2 | 66 | 0 | 0 | 118.3 | ||||
| 143 | A | 38.3 | Very low | 40.3 | Very low | 102 Ų | 102 | 149 Ų | 149 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -126.8 | 143.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 144 | L | 36.4 | Very low | 41.1 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -151.6 | 124.2 | 155.6 | -114.7 | 171 | 0 | 0 | 0 | 108.5 | ||||
| 145 | A | 43.8 | Very low | 42.1 | Very low | 90 Ų | 90 | 146.7 Ų | 146.7 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | -91.7 | 131.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 146 | Y | 35.2 | Very low | 43.2 | Very low | 236 Ų | 236 | 143 Ų | 143 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -148.7 | 156.3 | 156.7 | -118.3 | -84.3 | 0 | 0 | 0 | 111.5 | ||||
| 147 | R | 41.5 | Very low | 43.4 | Very low | 225 Ų | 225 | 147.3 Ų | 147.3 | 85% | 0.849 | 81% | 0.807 | S | S | * | * | trans | -77.1 | 154.5 | -169.8 | -71.2 | -77.4 | -170.1 | 148.8 | 4.4 | 113.6 | ||||
| 148 | P | 50.9 | Low | 44.5 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -81.5 | 136.1 | 175.7 | 32.7 | -34.3 | 0 | 0 | 0 | 113.1 | ||||
| 149 | V | 36.4 | Very low | 44.9 | Very low | 139 Ų | 139 | 149.9 Ų | 149.9 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -139.4 | 133.5 | 156.8 | 175.3 | 0 | 0 | 0 | 0 | 108.2 | R151 | V149-R151 PolarHBondContact O-N 3.12Å; V149-R151 VanDerWaalsContact O-N 3.09Å | ||
| 150 | S | 63.2 | Low | 45.4 | Very low | 124 Ų | 124 | 150.3 Ų | 150.3 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -79.3 | 84.3 | -173.2 | 43.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 151 | R | 49.8 | Very low | 46.5 | Very low | 225 Ų | 225 | 151.5 Ų | 151.5 | 85% | 0.849 | 80% | 0.796 | S | S | * | * | trans | -152.1 | 62 | 170.2 | -151.5 | 177.1 | -177.3 | 171.7 | 1.9 | 117.5 | V149 | V149-R151 PolarHBondContact O-N 3.12Å; V149-R151 VanDerWaalsContact O-N 3.09Å | ||
| 152 | N | 47.7 | Very low | 47.7 | Very low | 165 Ų | 165 | 151 Ų | 151 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -138.4 | 112.9 | 150.5 | -77.5 | -62.3 | 0 | 0 | 0 | 109.6 | ||||
| 153 | I | 56.7 | Low | 49.1 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -74.4 | 123.9 | 143.8 | -63.7 | 173.1 | 0 | 0 | 0 | 103.6 | V155 | I153-V155 HydrophobicContact CG2-CG2 4.27Å; I153-V155 PolarHBondContact O-N 3.03Å | ||
| 154 | D | 51.7 | Low | 50.5 | Low | 130 Ų | 130 | 150.1 Ų | 150.1 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | trans | -67.9 | 93.3 | 163.8 | -171.2 | 63.5 | 0 | 0 | 0 | 107 | P156 | D154-P156 WeakPolarHBondContact O-CD 3.14Š| ||
| 155 | V | 52.1 | Low | 52.5 | Low | 99 Ų | 99 | 146.9 Ų | 146.9 | 60% | 0.6 | 76% | 0.759 | S | S | * | * | trans | -70.5 | 108.9 | 162.2 | 176.5 | 0 | 0 | 0 | 0 | 103.8 | I153 K157 | I153-V155 HydrophobicContact CG2-CG2 4.27Å; I153-V155 PolarHBondContact O-N 3.03Å; V155-K157 PolarHBondContact O-N 3.34Å | ||
| 156 | P | 52.8 | Low | 54.4 | Low | 96 Ų | 96 | 146.8 Ų | 146.8 | 62% | 0.623 | 75% | 0.746 | S | S | * | * | trans | -55.3 | 122.5 | -174.9 | -24.3 | 35 | 0 | 0 | 0 | 107 | D154 R158 | D154-P156 WeakPolarHBondContact O-CD 3.14Å; P156-R158 PolarHBondContact O-N 2.97Å | ||
| 157 | K | 49.4 | Very low | 56.5 | Low | 199 Ų | 199 | 143.7 Ų | 143.7 | 87% | 0.865 | 74% | 0.74 | S | S | * | * | trans | -52.2 | 106.9 | -177.3 | -78.4 | -177.8 | 179.7 | 174.4 | 0 | 107.1 | V155 K159 | V155-K157 PolarHBondContact O-N 3.34Å; K157-K159 PolarHBondContact O-N 3.4Å | ||
| 158 | R | 54.4 | Low | 58.5 | Low | 228 Ų | 228 | 139.2 Ų | 139.2 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -61.5 | 100.2 | 169.2 | -75 | -166.4 | -179.1 | 100.3 | -1.4 | 105 | P156 S160 | P156-R158 PolarHBondContact O-N 2.97Å; R158-S160 PolarHBondContact O-N 2.96Å; R158-S160 VanDerWaalsContact O-N 3.11Å | ||
| 159 | K | 45.1 | Very low | 60.3 | Low | 158 Ų | 158 | 137.9 Ų | 137.9 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | trans | -44.3 | 123.3 | 160.6 | 47.6 | 168.1 | -174.4 | 149.3 | 0 | 105.3 | K157 D161 | K157-K159 PolarHBondContact O-N 3.4Å; K159-D161 HydrophobicContact CB-CB 4.38Å; K159-D161 HydrophobicContact CD-CB 3.94Å; K159-D161 HydrophobicContact CG-CB 4.05Å; K159-D161 IonicContact NZ-OD2 2.74Å; K159-D161 PolarHBondContact NZ-OD2 3.21Å; K159-D161 PolarHBondContact O-N 3.45Å | ||
| 160 | S | 49.9 | Very low | 62.8 | Low | 120 Ų | 120 | 132.7 Ų | 132.7 | 84% | 0.839 | 69% | 0.687 | S | S | * | * | trans | -76.6 | 46.5 | 177.9 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | R158 A162 | R158-S160 PolarHBondContact O-N 2.96Å; R158-S160 VanDerWaalsContact O-N 3.11Å; S160-A162 PolarHBondContact O-N 3.06Å | ||
| 161 | D | 52.3 | Low | 63.9 | Low | 102 Ų | 102 | 129.2 Ų | 129.2 | 55% | 0.545 | 67% | 0.665 | S | S | . | * | trans | -74.3 | 51.9 | 159.4 | -168.6 | 16.4 | 0 | 0 | 0 | 107.1 | K159 V163 | K159-D161 HydrophobicContact CB-CB 4.38Å; K159-D161 HydrophobicContact CD-CB 3.94Å; K159-D161 HydrophobicContact CG-CB 4.05Å; K159-D161 IonicContact NZ-OD2 2.74Å; K159-D161 PolarHBondContact NZ-OD2 3.21Å; K159-D161 PolarHBondContact O-N 3.45Å; D161-V163 PolarHBondContact O-N 3.02Å; D161-V163 VanDerWaalsContact O-N 3.07Å | ||
| 162 | A | 58.9 | Low | 65.7 | Low | 84 Ų | 84 | 123.1 Ų | 123.1 | 69% | 0.694 | 65% | 0.648 | S | S | * | * | trans | -78.4 | 84.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 105.3 | S160 E164 | S160-A162 PolarHBondContact O-N 3.06Å; A162-E164 PolarHBondContact O-N 2.65Å | ||
| 163 | V | 64.7 | Low | 67.6 | Low | 107 Ų | 107 | 118.7 Ų | 118.7 | 65% | 0.648 | 63% | 0.626 | S | S | * | * | trans | -48.5 | 118.9 | 167.6 | 176.8 | 0 | 0 | 0 | 0 | 106.9 | D161 M165 | D161-V163 PolarHBondContact O-N 3.02Å; D161-V163 VanDerWaalsContact O-N 3.07Å; V163-M165 VanDerWaalsContact C-N 3.3Å; V163-M165 PolarHBondContact O-N 3.19Å | ||
| 164 | E | 66.9 | Low | 69 | Low | 182 Ų | 182 | 117.3 Ų | 117.3 | 85% | 0.85 | 62% | 0.62 | S | S | * | * | trans | -67.9 | 91.2 | -175.5 | -171.5 | 167.1 | -166.9 | 0 | 0 | 108.6 | A162 D166 | A162-E164 PolarHBondContact O-N 2.65Å; E164-D166 PolarHBondContact O-N 3.46Å | ||
| 165 | M | 78.3 | Confident | 70.3 | Confident | 106 Ų | 106 | 115.1 Ų | 115.1 | 52% | 0.522 | 61% | 0.611 | S | S | . | * | trans | -75.5 | 93.1 | 180 | -172.2 | 67.4 | 65.3 | 0 | 0 | 108.1 | V163 M169 A170 | V163-M165 VanDerWaalsContact C-N 3.3Å; V163-M165 PolarHBondContact O-N 3.19Å; M165-M169 HydrophobicContact SD-CB 3.69Å; M165-M169 HydrophobicContact SD-CE 4.09Å; M165-A170 HydrophobicContact CG-CB 4.03Å | ||
| 166 | D | 84 | Confident | 71.6 | Confident | 88 Ų | 88 | 114.5 Ų | 114.5 | 47% | 0.471 | 61% | 0.611 | S | S | . | * | trans | -45.7 | 145.6 | 174.5 | 169.9 | 65.9 | 0 | 0 | 0 | 112.3 | E164 M168 M169 A170 | E164-D166 PolarHBondContact O-N 3.46Å; D166-M168 PolarHBondContact O-N 2.78Å; D166-M168 WeakPolarHBondContact OD2-CA 3.35Å; D166-M168 WeakPolarHBondContact OD2-CB 3.49Å; D166-M168 PolarHBondContact OD2-N 3.16Å; D166-M169 HydrophobicContact CB-CE 4.45Å; D166-M169 PolarHBondContact O-N 3Å; D166-M169 PolarHBondContact OD2-N 2.94Å; D166-A170 PolarHBondContact O-N 2.94Å | ||
| 167 | E | 80.6 | Confident | 72.9 | Confident | 171 Ų | 171 | 116.1 Ų | 116.1 | 80% | 0.799 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.2 | -31.9 | -173 | -61.3 | -169.1 | 155.3 | 0 | 0 | 112.4 | A171 | E167-A171 WeakPolarHBondContact O-CB 3.49Å; E167-A171 PolarHBondContact O-N 3.47Å |
| 168 | M | 81.6 | Confident | 73.5 | Confident | 132 Ų | 132 | 110.8 Ų | 110.8 | 65% | 0.65 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.4 | -41.5 | 174.8 | -170.9 | -179.1 | 172 | 0 | 0 | 111.4 | D166 A171 M172 | D166-M168 PolarHBondContact O-N 2.78Å; D166-M168 WeakPolarHBondContact OD2-CA 3.35Å; D166-M168 WeakPolarHBondContact OD2-CB 3.49Å; D166-M168 PolarHBondContact OD2-N 3.16Å; M168-A171 PolarHBondContact O-N 2.86Å; M168-M172 WeakPolarHBondContact O-CG 3.49Å; M168-M172 PolarHBondContact O-N 3.43Å |
| 169 | M | 89.1 | Confident | 73.3 | Confident | 90 Ų | 90 | 104.2 Ų | 104.2 | 44% | 0.443 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.3 | -41.1 | 174.3 | -69.3 | -154.7 | -64 | 0 | 0 | 111.9 | M165 D166 A171 M172 V173 | M165-M169 HydrophobicContact SD-CB 3.69Å; M165-M169 HydrophobicContact SD-CE 4.09Å; D166-M169 HydrophobicContact CB-CE 4.45Å; D166-M169 PolarHBondContact O-N 3Å; D166-M169 PolarHBondContact OD2-N 2.94Å; M169-A171 VanDerWaalsContact C-N 3.33Å; M169-A171 PolarHBondContact O-N 2.94Å; M169-M172 HydrophobicContact CG-CE 4.13Å; M169-M172 PolarHBondContact O-N 2.83Å; M169-V173 WeakPolarHBondContact O-CG2 3.49Å; M169-V173 PolarHBondContact O-N 2.85Å |
| 170 | A | 90.1 | Very high | 73.2 | Confident | 31 Ų | 31 | 101.6 Ų | 101.6 | 26% | 0.256 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.4 | -43.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | M165 D166 V173 L174 | M165-A170 HydrophobicContact CG-CB 4.03Å; D166-A170 PolarHBondContact O-N 2.94Å; A170-V173 PolarHBondContact O-N 2.87Å; A170-L174 WeakPolarHBondContact O-CB 3.28Å; A170-L174 VanDerWaalsContact O-CG 3.3Å; A170-L174 WeakPolarHBondContact O-CG 3.1Å; A170-L174 PolarHBondContact O-N 3.47Å |
| 171 | A | 85.3 | Confident | 73.1 | Confident | 50 Ų | 50 | 101.6 Ų | 101.6 | 41% | 0.413 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.5 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E167 M168 M169 L174 T175 | E167-A171 WeakPolarHBondContact O-CB 3.49Å; E167-A171 PolarHBondContact O-N 3.47Å; M168-A171 PolarHBondContact O-N 2.86Å; M169-A171 VanDerWaalsContact C-N 3.33Å; M169-A171 PolarHBondContact O-N 2.94Å; A171-L174 PolarHBondContact O-N 3.48Å; A171-T175 WeakPolarHBondContact O-CB 3.32Å; A171-T175 PolarHBondContact O-N 3.21Å; A171-T175 PolarHBondContact O-OG1 3.18Å |
| 172 | M | 87.9 | Confident | 72.4 | Confident | 98 Ų | 98 | 103 Ų | 103 | 48% | 0.483 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.4 | -39.6 | 176.6 | -72.2 | -170.3 | -62.8 | 0 | 0 | 112.5 | M168 M169 T175 S176 | M168-M172 WeakPolarHBondContact O-CG 3.49Å; M168-M172 PolarHBondContact O-N 3.43Å; M169-M172 HydrophobicContact CG-CE 4.13Å; M169-M172 PolarHBondContact O-N 2.83Å; M172-T175 PolarHBondContact O-N 2.9Å; M172-S176 WeakPolarHBondContact O-CB 3.43Å; M172-S176 PolarHBondContact O-N 2.9Å; M172-S176 PolarHBondContact O-OG 2.89Å |
| 173 | V | 88.7 | Confident | 71.7 | Confident | 72 Ų | 72 | 105 Ų | 105 | 44% | 0.436 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.1 | -47.4 | 174.7 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | M169 A170 T175 S176 L177 | M169-V173 WeakPolarHBondContact O-CG2 3.49Å; M169-V173 PolarHBondContact O-N 2.85Å; A170-V173 PolarHBondContact O-N 2.87Å; V173-T175 VanDerWaalsContact C-N 3.33Å; V173-T175 PolarHBondContact O-N 3.44Å; V173-S176 PolarHBondContact O-N 3.33Å; V173-L177 HydrophobicContact CG1-CD1 3.85Å; V173-L177 HydrophobicContact CG1-CG 4.42Å; V173-L177 WeakPolarHBondContact O-CB 3.29Å; V173-L177 VanDerWaalsContact O-CG 3.3Å; V173-L177 WeakPolarHBondContact O-CG 3.49Å; V173-L177 PolarHBondContact O-N 3.45Å |
| 174 | L | 84.2 | Confident | 70.5 | Confident | 120 Ų | 120 | 108.4 Ų | 108.4 | 63% | 0.628 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.3 | -38.9 | 176.7 | -73 | 169.8 | 0 | 0 | 0 | 112.4 | A170 A171 L177 S178 | A170-L174 WeakPolarHBondContact O-CB 3.28Å; A170-L174 VanDerWaalsContact O-CG 3.3Å; A170-L174 WeakPolarHBondContact O-CG 3.1Å; A170-L174 PolarHBondContact O-N 3.47Å; A171-L174 PolarHBondContact O-N 3.48Å; L174-L177 PolarHBondContact O-N 2.83Å; L174-S178 WeakPolarHBondContact O-CB 3.4Å; L174-S178 PolarHBondContact O-N 2.97Å |
| 175 | T | 80.7 | Confident | 69 | Low | 85 Ų | 85 | 104.7 Ų | 104.7 | 52% | 0.521 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.5 | -47.7 | 173.9 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | A171 M172 V173 L177 S178 C179 | A171-T175 WeakPolarHBondContact O-CB 3.32Å; A171-T175 PolarHBondContact O-N 3.21Å; A171-T175 PolarHBondContact O-OG1 3.18Å; M172-T175 PolarHBondContact O-N 2.9Å; V173-T175 VanDerWaalsContact C-N 3.33Å; V173-T175 PolarHBondContact O-N 3.44Å; T175-L177 VanDerWaalsContact C-N 3.32Å; T175-L177 PolarHBondContact O-N 3.32Å; T175-S178 PolarHBondContact O-N 3.21Å; T175-S178 VanDerWaalsContact O-N 3.09Å; T175-S178 PolarHBondContact O-OG 3.21Å; T175-C179 PolarHBondContact O-N 2.82Å |
| 176 | S | 78.3 | Confident | 67.3 | Low | 85 Ų | 85 | 105.4 Ų | 105.4 | 59% | 0.594 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.4 | -38.5 | 178.4 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | M172 V173 C179 | M172-S176 WeakPolarHBondContact O-CB 3.43Å; M172-S176 PolarHBondContact O-N 2.9Å; M172-S176 PolarHBondContact O-OG 2.89Å; V173-S176 PolarHBondContact O-N 3.33Å; S176-C179 PolarHBondContact O-N 2.96Å |
| 177 | L | 79.9 | Confident | 65.2 | Low | 131 Ų | 131 | 107 Ų | 107 | 69% | 0.686 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.2 | -22.4 | 176 | -68.9 | 171.6 | 0 | 0 | 0 | 113.4 | V173 L174 T175 C179 | V173-L177 HydrophobicContact CG1-CD1 3.85Å; V173-L177 HydrophobicContact CG1-CG 4.42Å; V173-L177 WeakPolarHBondContact O-CB 3.29Å; V173-L177 VanDerWaalsContact O-CG 3.3Å; V173-L177 WeakPolarHBondContact O-CG 3.49Å; V173-L177 PolarHBondContact O-N 3.45Å; L174-L177 PolarHBondContact O-N 2.83Å; T175-L177 VanDerWaalsContact C-N 3.32Å; T175-L177 PolarHBondContact O-N 3.32Å; L177-C179 VanDerWaalsContact C-N 3.34Å |
| 178 | S | 63.5 | Low | 62.8 | Low | 86 Ų | 86 | 102 Ų | 102 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -76.2 | -22.8 | 175.2 | 75.4 | 0 | 0 | 0 | 0 | 113.1 | L174 T175 S180 | L174-S178 WeakPolarHBondContact O-CB 3.4Å; L174-S178 PolarHBondContact O-N 2.97Å; T175-S178 PolarHBondContact O-N 3.21Å; T175-S178 VanDerWaalsContact O-N 3.09Å; T175-S178 PolarHBondContact O-OG 3.21Å; S178-S180 PolarHBondContact O-N 2.79Å |
| 179 | C | 48.6 | Very low | 60.5 | Low | 90 Ų | 90 | 101.8 Ų | 101.8 | 61% | 0.608 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -87.9 | 85.5 | 174.7 | -67.6 | 0 | 0 | 0 | 0 | 110.9 | T175 S176 L177 | T175-C179 PolarHBondContact O-N 2.82Å; S176-C179 PolarHBondContact O-N 2.96Å; L177-C179 VanDerWaalsContact C-N 3.34Å |
| 180 | S | 43.3 | Very low | 57.7 | Low | 104 Ų | 104 | 105.5 Ų | 105.5 | 73% | 0.727 | 65% | 0.651 | S | S | * | * | trans | -55.1 | 133.4 | 170.3 | -66.4 | 0 | 0 | 0 | 0 | 111.1 | S178 V182 | S178-S180 PolarHBondContact O-N 2.79Å; S180-V182 PolarHBondContact O-N 3.38Å; S180-V182 VanDerWaalsContact O-N 3.16Å | ||
| 181 | P | 47.3 | Very low | 55.1 | Low | 119 Ų | 119 | 108.1 Ų | 108.1 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | trans | -69.6 | 114.7 | -176.7 | 27.2 | -34 | 0 | 0 | 0 | 111.1 | V183 | P181-V183 PolarHBondContact O-N 3.06Š| ||
| 182 | V | 38.1 | Very low | 52.6 | Low | 131 Ų | 131 | 111.9 Ų | 111.9 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | trans | -65.2 | 121.9 | 163.2 | 163.3 | 0 | 0 | 0 | 0 | 108.2 | S180 Q184 | S180-V182 PolarHBondContact O-N 3.38Å; S180-V182 VanDerWaalsContact O-N 3.16Å; V182-Q184 PolarHBondContact O-N 3.34Å | ||
| 183 | V | 44 | Very low | 49.8 | Very low | 127 Ų | 127 | 115.7 Ų | 115.7 | 77% | 0.77 | 70% | 0.7 | S | S | * | * | trans | -74.2 | 114 | 178.4 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | P181 | P181-V183 PolarHBondContact O-N 3.06Š| ||
| 184 | Q | 40.4 | Very low | 47.2 | Very low | 178 Ų | 178 | 117.9 Ų | 117.9 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | -132.2 | 144.5 | 156.2 | -71.2 | -165.3 | -10.1 | 0 | 0 | 109.9 | V182 | V182-Q184 PolarHBondContact O-N 3.34Š| ||
| 185 | S | 34.1 | Very low | 44.7 | Very low | 104 Ų | 104 | 116.1 Ų | 116.1 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 159.7 | -170.7 | -53.6 | 0 | 0 | 0 | 0 | 112 | ||
| 186 | P | 44.4 | Very low | 42.5 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 145.8 | -166.7 | 34.2 | -35.8 | 0 | 0 | 0 | 114.4 | ||
| 187 | P | 38.3 | Very low | 40.4 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | -92.6 | 155.9 | 115.9 | 35.3 | -29.7 | 0 | 0 | 0 | 109.4 | |||
| 188 | G | 30.3 | Very low | 38 | Very low | 66 Ų | 66 | 122.7 Ų | 122.7 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | cis | 125.1 | 126.7 | 10.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 189 | T | 33 | Very low | 36.6 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | 82.6 | 96.8 | 157.6 | -57.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 190 | E | 31.1 | Very low | 35.7 | Very low | 167 Ų | 167 | 125.1 Ų | 125.1 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | 84.6 | 138.9 | 144.8 | -55.8 | -13.7 | 109.5 | 0 | 0 | 126.2 | ||||
| 191 | A | 34.9 | Very low | 35.8 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 77.7 | 85.7 | 137.7 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 192 | N | 33.3 | Very low | 35.5 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | 65 | 141.1 | 112.4 | -94.2 | -23.7 | 0 | 0 | 0 | 125.6 | |||||
| 193 | F | 30.3 | Very low | 35.2 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 59.7 | 95.1 | 151.6 | -54.9 | -49.1 | 0 | 0 | 0 | 122.4 | ||||
| 194 | S | 34.1 | Very low | 35 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | 44.2 | 138.4 | 107.9 | -156.2 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 195 | A | 30.5 | Very low | 34.6 | Very low | 83 Ų | 83 | 129.6 Ų | 129.6 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | trans | 101.6 | 114.7 | 144.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 196 | S | 33.9 | Very low | 34.6 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | 81.1 | 118.8 | 130.8 | -64.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 197 | R | 34.4 | Very low | 34.2 | Very low | 236 Ų | 236 | 128.3 Ų | 128.3 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | trans | 65.8 | 107.4 | 136 | -68.6 | -172.6 | 175.8 | -174.6 | -0.6 | 120.9 | ||||
| 198 | A | 30.3 | Very low | 34.1 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | 63.9 | 112.5 | 115.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 199 | A | 34.2 | Very low | 34.7 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | 54.8 | 116.5 | 129.5 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 200 | C | 29.4 | Very low | 35.4 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | -167.8 | 126.9 | 126.3 | -113.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 201 | D | 44.6 | Very low | 35.8 | Very low | 154 Ų | 154 | 130.1 Ų | 130.1 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -96 | 128.3 | 172.4 | -74.4 | -64.4 | 0 | 0 | 0 | 111.7 | ||||
| 202 | P | 42 | Very low | 36.2 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -96.7 | 92.3 | 168.7 | -9.7 | 30.1 | 0 | 0 | 0 | 113.9 | ||||
| 203 | W | 32 | Very low | 36.5 | Very low | 201 Ų | 201 | 129.4 Ų | 129.4 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | -20.1 | 129.5 | 147.5 | 42.4 | -69.9 | 0 | 0 | 0 | 114.5 | ||||
| 204 | K | 39.9 | Very low | 37.1 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 60% | 0.604 | 78% | 0.781 | S | S | * | * | -175.7 | 168.9 | 89.7 | -90.1 | -159.9 | 177.1 | -76.3 | 0 | 111.8 | |||||
| 205 | E | 32 | Very low | 37.3 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 65% | 0.654 | 78% | 0.778 | S | S | * | * | cis | 179.1 | 118.7 | -26.2 | 179.9 | 166.9 | 89 | 0 | 0 | 111.4 | ||||
| 206 | S | 34.7 | Very low | 37.9 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -172.1 | 131.9 | 159.4 | -70.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 207 | G | 35.6 | Very low | 38.2 | Very low | 74 Ų | 74 | 129.5 Ų | 129.5 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | cis | 107.8 | 114 | 11.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 208 | D | 34.8 | Very low | 38.7 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | cis | -155.7 | 174.1 | -2.9 | 65 | -71.1 | 0 | 0 | 0 | 113.7 | ||||
| 209 | V | 44.3 | Very low | 39 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | 33.6 | 114.4 | 171.1 | -54.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 210 | S | 47.1 | Very low | 39 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | 69.5 | 139.6 | 124.7 | -58.5 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 211 | D | 39.5 | Very low | 39.6 | Very low | 152 Ų | 152 | 130 Ų | 130 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | 85.2 | 121.8 | 146.9 | -65.1 | -17.2 | 0 | 0 | 0 | 124.1 | ||||
| 212 | S | 44.3 | Very low | 39.2 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | 76.5 | 122.6 | 156.4 | -59.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 213 | G | 37.8 | Very low | 38.7 | Very low | 72 Ų | 72 | 125.2 Ų | 125.2 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | -163.2 | -3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 214 | S | 43 | Very low | 38.6 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | 64.1 | 152.5 | 173.8 | -60.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 215 | S | 39.4 | Very low | 38.3 | Very low | 109 Ų | 109 | 120.2 Ų | 120.2 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | cis | -156.4 | 140.2 | -19.8 | -99.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 216 | T | 43.4 | Very low | 38.3 | Very low | 132 Ų | 132 | 116.9 Ų | 116.9 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -85.6 | -172.9 | 160.6 | 59 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 217 | T | 38.7 | Very low | 38.2 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | -175.8 | 176.6 | 57.8 | -166.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 218 | S | 46 | Very low | 38 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -102.2 | 167 | -176 | 59.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 219 | G | 36.2 | Very low | 38 | Very low | 60 Ų | 60 | 118.4 Ų | 118.4 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | trans | 120 | 132.3 | 131.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 220 | H | 33.4 | Very low | 37.8 | Very low | 184 Ų | 184 | 119 Ų | 119 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | 73.6 | 177.8 | 147 | 97.9 | -59.7 | 0 | 0 | 0 | 121.5 | ||||
| 221 | W | 42.1 | Very low | 37.1 | Very low | 215 Ų | 215 | 118.6 Ų | 118.6 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | -145.4 | 130.8 | -149.5 | 45.8 | -82.3 | 0 | 0 | 0 | 112.1 | ||||
| 222 | S | 37.3 | Very low | 36.9 | Very low | 109 Ų | 109 | 117.1 Ų | 117.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 146.8 | 148.5 | 141.6 | -71.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 223 | G | 31.8 | Very low | 36.7 | Very low | 63 Ų | 63 | 117.2 Ų | 117.2 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | 123.4 | 37.5 | 119 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 224 | S | 29.7 | Very low | 36.5 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | 70.5 | 168.9 | 156.9 | 100.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 225 | S | 33.8 | Very low | 36.1 | Very low | 116 Ų | 116 | 122 Ų | 122 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | cis | -153.1 | 154.1 | -3.3 | -82.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 226 | G | 31.9 | Very low | 35.6 | Very low | 70 Ų | 70 | 124.5 Ų | 124.5 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 121 | 119.6 | 148 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 227 | V | 32.9 | Very low | 35 | Very low | 140 Ų | 140 | 122.1 Ų | 122.1 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | 46.3 | 93 | 143.3 | 65.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 228 | S | 30.1 | Very low | 34.6 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | 179.2 | 145.5 | 110.6 | -77.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 229 | T | 35.8 | Very low | 34.4 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | -87.4 | 159.8 | 174 | -13.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 230 | P | 40.1 | Very low | 34.4 | Very low | 130 Ų | 130 | 129 Ų | 129 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | -138.4 | 163.4 | 80.5 | 34.2 | -17.3 | 0 | 0 | 0 | 115.4 | |||||
| 231 | S | 32 | Very low | 34.3 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 151.4 | -172.2 | -51 | 0 | 0 | 0 | 0 | 113.7 | ||
| 232 | P | 34.9 | Very low | 34 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 144.6 | 165.8 | 33.1 | -33.6 | 0 | 0 | 0 | 111.9 | ||
| 233 | P | 39.6 | Very low | 33.6 | Very low | 130 Ų | 130 | 125 Ų | 125 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 165 | -179.2 | 32.8 | -35.4 | 0 | 0 | 0 | 114.3 | ||
| 234 | H | 33.8 | Very low | 33.6 | Very low | 166 Ų | 166 | 130 Ų | 130 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 142.6 | -172.6 | -147.2 | 96 | 0 | 0 | 0 | 111.4 | ||
| 235 | P | 34.4 | Very low | 33.8 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 123.6 | 161.3 | 33 | -27.3 | 0 | 0 | 0 | 110.5 | ||
| 236 | Q | 30.7 | Very low | 33.8 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -140.2 | 137.7 | -178.4 | -136.9 | -81.7 | -65.7 | 0 | 0 | 111.1 | ||||
| 237 | A | 29.1 | Very low | 33.7 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | 64.1 | 142.2 | 169 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 238 | S | 30.8 | Very low | 33.8 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -87.6 | 168.1 | 161.9 | -42.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 239 | P | 42.4 | Very low | 34.4 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | -138.2 | -146.9 | 101.9 | 38.5 | -25 | 0 | 0 | 0 | 113.4 | |||||
| 240 | K | 35.8 | Very low | 34.3 | Very low | 199 Ų | 199 | 135.6 Ų | 135.6 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -123.7 | 162.8 | -156.9 | -54.2 | 171.7 | -179.4 | 174.7 | 0 | 113.7 | ||||
| 241 | Y | 31 | Very low | 34.1 | Very low | 209 Ų | 209 | 135.1 Ų | 135.1 | 82% | 0.82 | 79% | 0.791 | S | S | * | * | trans | 99.8 | 139.9 | 138.3 | -146.5 | -116.4 | 0 | 0 | 0 | 119.2 | ||||
| 242 | L | 36.4 | Very low | 34.2 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | 61.6 | 148.5 | 179.5 | -68.2 | 160.3 | 0 | 0 | 0 | 116.9 | ||||
| 243 | G | 29.3 | Very low | 34.4 | Very low | 58 Ų | 58 | 138.4 Ų | 138.4 | 60% | 0.598 | 79% | 0.789 | S | S | * | * | cis | 168.9 | 138.5 | -8.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 244 | D | 32.1 | Very low | 34.2 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | 58.4 | 163.4 | 179.4 | -67.4 | -53.7 | 0 | 0 | 0 | 115.7 | ||||
| 245 | A | 33.4 | Very low | 34.1 | Very low | 72 Ų | 72 | 137 Ų | 137 | 60% | 0.595 | 79% | 0.788 | S | S | * | * | cis | -147.9 | 162.9 | -2.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 246 | F | 33.1 | Very low | 34.4 | Very low | 210 Ų | 210 | 140 Ų | 140 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | 23.2 | 127.1 | 158.5 | -50.5 | -69 | 0 | 0 | 0 | 122.3 | ||||
| 247 | G | 30.8 | Very low | 35.2 | Very low | 83 Ų | 83 | 137.9 Ų | 137.9 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | 172.8 | 99.2 | 161 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 248 | S | 33.8 | Very low | 35.5 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -87 | 154.3 | 171.2 | -133.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 249 | P | 43.8 | Very low | 36.1 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -78.3 | 153.3 | -173.4 | 32.8 | -35.4 | 0 | 0 | 0 | 112.6 | ||||
| 250 | Q | 32.2 | Very low | 35.9 | Very low | 187 Ų | 187 | 139.1 Ų | 139.1 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -121.1 | 140.2 | 168.2 | -166.1 | 174.7 | -50.5 | 0 | 0 | 110.5 | ||||
| 251 | T | 36.7 | Very low | 36.7 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | -63.3 | 166 | 171 | 45.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 252 | D | 33.5 | Very low | 37.3 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 65% | 0.652 | 77% | 0.766 | S | S | * | * | -171.5 | 173.3 | 54.2 | -158.9 | -18 | 0 | 0 | 0 | 111.5 | |||||
| 253 | H | 39.9 | Very low | 37.5 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | trans | 70.9 | 129.8 | 168.2 | -41.6 | -30.8 | 0 | 0 | 0 | 117 | ||||
| 254 | G | 35.1 | Very low | 37.9 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | cis | 151.7 | 112.9 | -12.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 255 | F | 32.7 | Very low | 38.6 | Very low | 191 Ų | 191 | 136.8 Ų | 136.8 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | -159.7 | 130 | 136.3 | 65.3 | -83 | 0 | 0 | 0 | 109.6 | ||||
| 256 | E | 39.4 | Very low | 39.1 | Very low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -91.3 | 138.5 | 157.2 | -90.1 | -156.3 | 98.6 | 0 | 0 | 108.5 | ||||
| 257 | T | 47.1 | Very low | 39.5 | Very low | 119 Ų | 119 | 135 Ų | 135 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | -151.3 | 97.6 | 161.2 | -56.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 258 | D | 35.4 | Very low | 39.8 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | trans | 51 | 111.4 | 144.6 | -158.8 | 25.7 | 0 | 0 | 0 | 120.2 | D260 | D258-D260 PolarHBondContact O-N 2.95Š| ||
| 259 | P | 44.5 | Very low | 40.5 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | trans | -87.9 | 90.4 | 167.3 | 34.8 | -30.5 | 0 | 0 | 0 | 111.9 | P261 | P259-P261 VanDerWaalsContact O-CD 3.24Å; P259-P261 WeakPolarHBondContact O-CD 3.42Å | ||
| 260 | D | 38.3 | Very low | 41.2 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 57% | 0.572 | 73% | 0.733 | S | S | * | * | trans | -54 | 118.2 | 170.5 | 178.8 | -2.1 | 0 | 0 | 0 | 111.1 | D258 F262 | D258-D260 PolarHBondContact O-N 2.95Å; D260-F262 VanDerWaalsContact C-N 3.32Å; D260-F262 PolarHBondContact O-N 3.3Å; D260-F262 PolarHBondContact OD1-N 3.39Å | ||
| 261 | P | 52.7 | Low | 42.1 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -77.5 | -2 | -175.7 | -16.2 | 31.9 | 0 | 0 | 0 | 116.3 | P259 | P259-P261 VanDerWaalsContact O-CD 3.24Å; P259-P261 WeakPolarHBondContact O-CD 3.42Å |
| 262 | F | 42.3 | Very low | 42.8 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | -128.4 | 44.6 | -162.1 | -82.1 | -77.6 | 0 | 0 | 0 | 117.7 | D260 | D260-F262 VanDerWaalsContact C-N 3.32Å; D260-F262 PolarHBondContact O-N 3.3Å; D260-F262 PolarHBondContact OD1-N 3.39Å | ||
| 263 | L | 40.7 | Very low | 43.8 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -125.3 | 110.1 | 163.1 | -73.7 | 178.1 | 0 | 0 | 0 | 114.2 | ||
| 264 | L | 39 | Very low | 44 | Very low | 150 Ų | 150 | 142 Ų | 142 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 42.5 | 101.3 | 154.3 | -131.9 | 73.8 | 0 | 0 | 0 | 117.9 | E266 | L264-E266 VanDerWaalsContact C-N 3.27Å; L264-E266 PolarHBondContact O-N 2.94Å | ||
| 265 | D | 46 | Very low | 44.9 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | trans | -64 | 94.6 | 149 | -179.5 | -123.8 | 0 | 0 | 0 | 107.8 | P267 | D265-P267 WeakPolarHBondContact O-CD 3.43Š| ||
| 266 | E | 43.8 | Very low | 46.1 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | trans | -88.4 | 101 | 166.1 | -170.6 | -157.1 | 100.2 | 0 | 0 | 108.3 | L264 A268 | L264-E266 VanDerWaalsContact C-N 3.27Å; L264-E266 PolarHBondContact O-N 2.94Å; E266-A268 PolarHBondContact O-N 2.94Å | ||
| 267 | P | 41.3 | Very low | 47.7 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 68% | 0.682 | 68% | 0.676 | S | S | * | * | trans | -73.3 | 74.8 | 172.1 | 31.2 | -37.4 | 0 | 0 | 0 | 110 | D265 | D265-P267 WeakPolarHBondContact O-CD 3.43Š| ||
| 268 | A | 36.8 | Very low | 49.7 | Very low | 27 Ų | 27 | 126.5 Ų | 126.5 | 22% | 0.223 | 64% | 0.643 | C | S | . | * | trans | -43 | 134.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | E266 R270 | E266-A268 PolarHBondContact O-N 2.94Å; A268-R270 PolarHBondContact O-N 2.68Å | ||
| 269 | P | 48.9 | Very low | 52.5 | Low | 131 Ų | 131 | 122.1 Ų | 122.1 | 85% | 0.851 | 62% | 0.619 | S | S | * | * | trans | -74 | 53.2 | -159.6 | 28.1 | -36.7 | 0 | 0 | 0 | 115.8 | K271 | P269-K271 PolarHBondContact O-N 3.43Š| ||
| 270 | R | 58.1 | Low | 55 | Low | 225 Ų | 225 | 117.9 Ų | 117.9 | 85% | 0.849 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -81 | 83.4 | -176.5 | -60.1 | 176 | -167.9 | 160.4 | 7.5 | 110.4 | A268 | A268-R270 PolarHBondContact O-N 2.68Š|
| 271 | K | 52.3 | Low | 57.7 | Low | 199 Ų | 199 | 117 Ų | 117 | 87% | 0.865 | 58% | 0.58 | S | S | * | * | trans | 53.3 | 72.9 | 176.9 | -73.4 | -172.3 | 172.7 | 179.7 | 0 | 114.5 | P269 K273 | P269-K271 PolarHBondContact O-N 3.43Å; K271-K273 PolarHBondContact O-N 2.98Å | ||
| 272 | R | 50.2 | Low | 59.8 | Low | 233 Ų | 233 | 111.8 Ų | 111.8 | 88% | 0.879 | 55% | 0.546 | S | S | * | . | trans | -53 | 112.3 | 167.7 | -165.9 | -179 | -164.9 | -166.6 | 7.2 | 110.2 | N274 | R272-N274 VanDerWaalsContact C-N 3.3Å; R272-N274 PolarHBondContact O-N 2.94Å | ||
| 273 | K | 54.4 | Low | 62.3 | Low | 159 Ų | 159 | 107.4 Ų | 107.4 | 69% | 0.691 | 53% | 0.53 | S | S | * | . | trans | -75 | 78.7 | -177 | -173.2 | 160.9 | 65.3 | -177.5 | 0 | 111.2 | K271 S275 | K271-K273 PolarHBondContact O-N 2.98Å; K273-S275 WeakPolarHBondContact CG-OG 3.49Å; K273-S275 PolarHBondContact O-N 2.99Å | ||
| 274 | N | 45.6 | Very low | 64.9 | Low | 99 Ų | 99 | 102.7 Ų | 102.7 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 51.3 | 176 | -163.1 | 18.5 | 0 | 0 | 0 | 112.7 | R272 V278 | R272-N274 VanDerWaalsContact C-N 3.3Å; R272-N274 PolarHBondContact O-N 2.94Å; N274-V278 WeakPolarHBondContact O-CG2 3.45Å |
| 275 | S | 53.3 | Low | 67.4 | Low | 64 Ų | 64 | 100.2 Ų | 100.2 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | -1.9 | 173.7 | 79.2 | 0 | 0 | 0 | 0 | 112.4 | K273 | K273-S275 WeakPolarHBondContact CG-OG 3.49Å; K273-S275 PolarHBondContact O-N 2.99Å |
| 276 | V | 58 | Low | 69.5 | Low | 80 Ų | 80 | 101 Ų | 101 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -89.8 | -28.6 | 175.5 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | R292 | V276-R292 PolarHBondContact O-NH2 2.99Š|
| 277 | K | 73 | Confident | 71.9 | Confident | 94 Ų | 94 | 95.4 Ų | 95.4 | 41% | 0.409 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -102.1 | 6.3 | 177.7 | -57 | -161.5 | -178.5 | -163.7 | 0 | 114 | M328 E330 | K277-M328 WeakPolarHBondContact O-CB 3.13Å; K277-M328 PolarHBondContact O-N 2.93Å; K277-E330 WeakPolarHBondContact CE-OE2 3.05Å; K277-E330 IonicContact NZ-OE2 2.57Å; K277-E330 PolarHBondContact NZ-OE2 2.8Å |
| 278 | V | 89.4 | Confident | 74.2 | Confident | 8 Ų | 8 | 92.2 Ų | 92.2 | 5% | 0.048 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.8 | 174.6 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | N274 Y280 E325 | N274-V278 WeakPolarHBondContact O-CG2 3.45Å; V278-Y280 HydrophobicContact CG1-CE1 4.03Å; V278-Y280 HydrophobicContact CG1-CE2 3.92Å; V278-Y280 WeakPolarHBondContact CG1-OH 3.21Å; V278-E325 HydrophobicContact CG1-CB 4.25Å |
| 279 | M | 94.1 | Very high | 77 | Confident | 42 Ų | 42 | 95.8 Ų | 95.8 | 21% | 0.207 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 153.4 | 171.8 | -118 | -174.4 | -63.2 | 0 | 0 | 109.8 | V290 R292 M326 M328 | M279-V290 HydrophobicContact CB-CG1 3.72Å; M279-V290 HydrophobicContact CG-CG1 3.76Å; M279-V290 HydrophobicContact SD-CB 4.26Å; M279-V290 HydrophobicContact SD-CG1 3.58Å; M279-V290 VanDerWaalsContact SD-CG1 3.58Å; M279-R292 HydrophobicContact CG-CG 3.87Å; M279-R292 HydrophobicContact SD-CG 4.26Å; M279-M326 PolarHBondContact N-O 3.02Å; M279-M326 PolarHBondContact O-N 3.4Å; M279-M328 HydrophobicContact CE-CE 4.29Å; M279-M328 HydrophobicContact CE-SD 3.63Å |
| 280 | Y | 96.1 | Very high | 79.2 | Confident | 20 Ų | 20 | 92.4 Ų | 92.4 | 8% | 0.078 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 114.9 | -174.3 | -58.6 | -87.7 | 0 | 0 | 0 | 108.4 | V278 V290 L291 I294 I297 Y323 T324 E325 | V278-Y280 HydrophobicContact CG1-CE1 4.03Å; V278-Y280 HydrophobicContact CG1-CE2 3.92Å; V278-Y280 WeakPolarHBondContact CG1-OH 3.21Å; Y280-V290 CarbonylContact O-C 3.45Å; Y280-V290 VanDerWaalsContact O-CA 3.29Å; Y280-V290 WeakPolarHBondContact O-CA 3.25Å; Y280-L291 WeakPolarHBondContact CD2-O 3.24Å; Y280-L291 PolarHBondContact N-O 2.62Å; Y280-L291 PolarHBondContact O-N 2.91Å; Y280-I294 HydrophobicContact CD1-CG1 3.96Å; Y280-I294 HydrophobicContact CD2-CG1 4.44Å; Y280-I294 HydrophobicContact CE1-CD1 4.06Å; Y280-I294 HydrophobicContact CE1-CG1 3.33Å; Y280-I294 HydrophobicContact CE2-CG1 3.9Å; Y280-I294 HydrophobicContact CG-CG1 4.49Å; Y280-I297 HydrophobicContact CG-CG2 4.44Å; Y280-I297 VanDerWaalsContact O-CD1 3.24Å; Y280-I297 WeakPolarHBondContact O-CD1 3.41Å; Y280-Y323 AromaticContact CD1-CD2 3.99Å; Y280-Y323 HydrophobicContact CD1-CD2 3.99Å; Y280-Y323 AromaticContact CD1-CE2 3.86Å; Y280-Y323 HydrophobicContact CD1-CE2 3.86Å; Y280-Y323 HydrophobicContact CE1-CE2 4.43Å; Y280-T324 WeakPolarHBondContact CA-O 3.33Å; Y280-E325 HydrophobicContact CD1-CB 4.34Å; Y280-E325 HydrophobicContact CD1-CG 3.88Å; Y280-E325 HydrophobicContact CE1-CB 4.12Å; Y280-E325 VanDerWaalsContact CE1-CD 3.44Å; Y280-E325 HydrophobicContact CE1-CG 3.6Å |
| 281 | K | 95.9 | Very high | 81 | Confident | 88 Ų | 88 | 84.8 Ų | 84.8 | 38% | 0.383 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.8 | -179.7 | 175.1 | 174.7 | 178.4 | -175.3 | 0 | 110 | V290 Y323 T324 M326 | K281-V290 HydrophobicContact CB-CG1 4.27Å; K281-V290 HydrophobicContact CB-CG2 4.13Å; K281-V290 HydrophobicContact CG-CG2 4.15Å; K281-Y323 CarbonylContact O-C 3.57Å; K281-Y323 WeakPolarHBondContact O-CA 3.46Å; K281-Y323 WeakPolarHBondContact O-CB 3.03Å; K281-T324 PolarHBondContact N-O 3.06Å; K281-T324 PolarHBondContact O-N 2.87Å; K281-M326 HydrophobicContact CB-CG 4.39Å; K281-M326 HydrophobicContact CB-SD 3.63Å; K281-M326 HydrophobicContact CD-SD 3.79Å; K281-M326 HydrophobicContact CG-SD 4.31Å |
| 282 | C | 96.6 | Very high | 83 | Confident | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.007 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 132.5 | 169.9 | -173.5 | 0 | 0 | 0 | 0 | 110.3 | W284 K289 I297 Y322 | C282-W284 VanDerWaalsContact SG-CB 3.6Å; C282-W284 PolarHBondContact SG-N 3.24Å; C282-K289 PolarHBondContact N-O 2.79Å; C282-I297 HydrophobicContact CB-CD1 4.11Å; C282-Y322 WeakPolarHBondContact CA-O 3.34Å |
| 283 | L | 95.1 | Very high | 85 | Confident | 88 Ų | 88 | 73.6 Ų | 73.6 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | trans | -93.7 | -1.9 | 178.6 | -60 | -174.7 | 0 | 0 | 0 | 113.5 | Y322 T324 | L283-Y322 PolarHBondContact N-O 3.34Å; L283-T324 WeakPolarHBondContact CD1-OG1 3.37Å | ||
| 284 | W | 94.3 | Very high | 86.9 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 21% | 0.205 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -61.8 | 138.7 | -177.6 | -157 | -85.1 | 0 | 0 | 0 | 111.2 | C282 N286 C287 H305 L306 Y322 | C282-W284 VanDerWaalsContact SG-CB 3.6Å; C282-W284 PolarHBondContact SG-N 3.24Å; W284-N286 PolarHBondContact O-N 3.09Å; W284-C287 HydrophobicContact CB-CB 3.94Å; W284-C287 WeakPolarHBondContact O-CB 3.15Å; W284-C287 PolarHBondContact O-N 3.12Å; W284-H305 VanDerWaalsContact CB-CD2 3.49Å; W284-H305 WeakPolarHBondContact CB-CD2 3.07Å; W284-H305 AromaticContact CD1-CE1 3.81Å; W284-H305 AromaticContact CD1-CG 3.77Å; W284-H305 AromaticContact CD1-ND1 3.53Å; W284-H305 HydrophobicContact CD2-CB 3.47Å; W284-H305 VanDerWaalsContact CD2-CB 3.47Å; W284-H305 AromaticContact CD2-CD2 3.81Å; W284-H305 AromaticContact CD2-CG 3.51Å; W284-H305 AromaticContact CE2-CG 3.82Å; W284-H305 HydrophobicContact CE3-CB 3.57Å; W284-H305 AromaticContact CE3-CG 3.98Å; W284-H305 HydrophobicContact CG-CB 4.05Å; W284-H305 AromaticContact CG-CD2 3.5Å; W284-H305 VanDerWaalsContact CG-CD2 3.5Å; W284-H305 AromaticContact CG-CG 3.51Å; W284-H305 AromaticContact CG-ND1 3.74Å; W284-H305 HydrophobicContact CH2-CB 3.87Å; W284-H305 HydrophobicContact CZ2-CB 3.78Å; W284-H305 HydrophobicContact CZ3-CB 3.76Å; W284-H305 AromaticContact NE1-CE1 3.74Å; W284-H305 AromaticContact NE1-CG 3.95Å; W284-H305 AromaticContact NE1-ND1 3.75Å; W284-L306 HydrophobicContact CE3-CD1 4.47Å; W284-L306 HydrophobicContact CH2-CD1 4.1Å; W284-L306 HydrophobicContact CH2-CG 4.49Å; W284-L306 HydrophobicContact CZ3-CD1 3.63Å; W284-L306 HydrophobicContact CZ3-CG 4.41Å; W284-Y322 AromaticContact CE3-CD1 3.48Å; W284-Y322 HydrophobicContact CE3-CD1 3.48Å; W284-Y322 VanDerWaalsContact CE3-CD1 3.48Å; W284-Y322 HydrophobicContact CE3-CD2 4.13Å; W284-Y322 AromaticContact CE3-CE1 3.79Å; W284-Y322 HydrophobicContact CE3-CE1 3.79Å; W284-Y322 HydrophobicContact CE3-CE2 4.39Å; W284-Y322 AromaticContact CE3-CG 3.67Å; W284-Y322 HydrophobicContact CE3-CG 3.67Å; W284-Y322 HydrophobicContact CH2-CE1 4.47Å; W284-Y322 AromaticContact CZ3-CD1 3.68Å; W284-Y322 HydrophobicContact CZ3-CD1 3.68Å; W284-Y322 AromaticContact CZ3-CD2 3.76Å; W284-Y322 HydrophobicContact CZ3-CD2 3.76Å; W284-Y322 AromaticContact CZ3-CE1 3.58Å; W284-Y322 HydrophobicContact CZ3-CE1 3.58Å; W284-Y322 AromaticContact CZ3-CE2 3.65Å; W284-Y322 HydrophobicContact CZ3-CE2 3.65Å; W284-Y322 AromaticContact CZ3-CG 3.77Å; W284-Y322 HydrophobicContact CZ3-CG 3.77Å; W284-Y322 AromaticContact CZ3-CZ 3.56Å |
| 285 | P | 93 | Very high | 89.2 | Confident | 98 Ų | 98 | 68.5 Ų | 68.5 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.4 | 132.3 | 177.1 | -32.4 | 36.3 | 0 | 0 | 0 | 112.8 | C287 | P285-C287 PolarHBondContact O-N 3.01Š|
| 286 | N | 89.1 | Confident | 91.2 | Very high | 168 Ų | 168 | 66.4 Ų | 66.4 | 90% | 0.898 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 6.3 | -179.7 | -55.1 | -27.8 | 0 | 0 | 0 | 116.6 | W284 | W284-N286 PolarHBondContact O-N 3.09Š|
| 287 | C | 94.1 | Very high | 92.9 | Very high | 20 Ų | 20 | 62.6 Ų | 62.6 | 14% | 0.135 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -58.3 | -176.7 | -175.3 | 0 | 0 | 0 | 0 | 113.6 | W284 P285 K289 H300 H305 | W284-C287 HydrophobicContact CB-CB 3.94Å; W284-C287 WeakPolarHBondContact O-CB 3.15Å; W284-C287 PolarHBondContact O-N 3.12Å; P285-C287 PolarHBondContact O-N 3.01Å; C287-K289 PolarHBondContact O-N 3.2Å; C287-H300 PolarHBondContact SG-CE1 3.01Å; C287-H300 PolarHBondContact SG-NE2 3.41Å; C287-H305 WeakPolarHBondContact CB-NE2 3.31Å |
| 288 | G | 90.6 | Very high | 93.9 | Very high | 38 Ų | 38 | 60 Ų | 60 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | trans | 60.9 | -2.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | V290 | G288-V290 WeakPolarHBondContact O-CG2 3.4Å; G288-V290 PolarHBondContact O-N 3.19Å | ||
| 289 | K | 94.8 | Very high | 94.2 | Very high | 102 Ų | 102 | 67.9 Ų | 67.9 | 44% | 0.443 | 35% | 0.351 | S | S | . | . | trans | -58.3 | 135.1 | -171.6 | -65.3 | -177.3 | -164.3 | -177.5 | 0 | 112 | C282 C287 L304 | C282-K289 PolarHBondContact N-O 2.79Å; C287-K289 PolarHBondContact O-N 3.2Å; K289-L304 VanDerWaalsContact NZ-CD1 3.33Å | ||
| 290 | V | 95.6 | Very high | 94.2 | Very high | 61 Ų | 61 | 66.8 Ų | 66.8 | 37% | 0.37 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.9 | 179.3 | -159.6 | 0 | 0 | 0 | 0 | 109.9 | M279 Y280 K281 G288 | M279-V290 HydrophobicContact CB-CG1 3.72Å; M279-V290 HydrophobicContact CG-CG1 3.76Å; M279-V290 HydrophobicContact SD-CB 4.26Å; M279-V290 HydrophobicContact SD-CG1 3.58Å; M279-V290 VanDerWaalsContact SD-CG1 3.58Å; Y280-V290 CarbonylContact O-C 3.45Å; Y280-V290 VanDerWaalsContact O-CA 3.29Å; Y280-V290 WeakPolarHBondContact O-CA 3.25Å; K281-V290 HydrophobicContact CB-CG1 4.27Å; K281-V290 HydrophobicContact CB-CG2 4.13Å; K281-V290 HydrophobicContact CG-CG2 4.15Å; G288-V290 WeakPolarHBondContact O-CG2 3.4Å; G288-V290 PolarHBondContact O-N 3.19Å |
| 291 | L | 94.7 | Very high | 94.1 | Very high | 65 Ų | 65 | 65.8 Ų | 65.8 | 34% | 0.34 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.1 | -177.2 | -65.7 | 177 | 0 | 0 | 0 | 111.7 | Y280 S293 G296 I297 H300 | Y280-L291 WeakPolarHBondContact CD2-O 3.24Å; Y280-L291 PolarHBondContact N-O 2.62Å; Y280-L291 PolarHBondContact O-N 2.91Å; L291-S293 PolarHBondContact O-N 2.93Å; L291-G296 VanDerWaalsContact CD1-C 3.49Å; L291-G296 WeakPolarHBondContact CD1-O 3.48Å; L291-I297 HydrophobicContact CB-CD1 4.06Å; L291-I297 HydrophobicContact CD1-CD1 3.98Å; L291-I297 HydrophobicContact CG-CD1 4.03Å; L291-H300 HydrophobicContact CD1-CB 4.16Å |
| 292 | R | 94.5 | Very high | 93.8 | Very high | 141 Ų | 141 | 64.3 Ų | 64.3 | 53% | 0.532 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -84.7 | 21.8 | -178.3 | -58.5 | 175.5 | 66.1 | 75.4 | 4.5 | 113.5 | V276 M279 | V276-R292 PolarHBondContact O-NH2 2.99Å; M279-R292 HydrophobicContact CG-CG 3.87Å; M279-R292 HydrophobicContact SD-CG 4.26Å |
| 293 | S | 93.6 | Very high | 93.6 | Very high | 55 Ų | 55 | 67.6 Ų | 67.6 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | trans | -158.1 | 132.6 | -176 | -178.8 | 0 | 0 | 0 | 0 | 113 | L291 V295 G296 I297 | L291-S293 PolarHBondContact O-N 2.93Å; S293-V295 VanDerWaalsContact C-N 3.29Å; S293-V295 PolarHBondContact O-N 2.78Å; S293-V295 PolarHBondContact OG-N 3.44Å; S293-G296 WeakPolarHBondContact O-CA 3.37Å; S293-G296 PolarHBondContact O-N 2.89Å; S293-I297 PolarHBondContact O-N 2.57Å | ||
| 294 | I | 93.5 | Very high | 93.4 | Very high | 60 Ų | 60 | 68 Ų | 68 | 31% | 0.308 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.7 | -44.1 | 171.1 | -58.1 | 171.2 | 0 | 0 | 0 | 111.2 | Y280 G296 I297 K298 Y323 | Y280-I294 HydrophobicContact CD1-CG1 3.96Å; Y280-I294 HydrophobicContact CD2-CG1 4.44Å; Y280-I294 HydrophobicContact CE1-CD1 4.06Å; Y280-I294 HydrophobicContact CE1-CG1 3.33Å; Y280-I294 HydrophobicContact CE2-CG1 3.9Å; Y280-I294 HydrophobicContact CG-CG1 4.49Å; I294-G296 VanDerWaalsContact C-N 3.26Å; I294-G296 PolarHBondContact O-N 2.75Å; I294-I297 WeakPolarHBondContact O-CG2 3.4Å; I294-I297 PolarHBondContact O-N 2.92Å; I294-K298 HydrophobicContact CG2-CD 3.86Å; I294-K298 HydrophobicContact CG2-CG 4.32Å; I294-K298 WeakPolarHBondContact O-CB 3.19Å; I294-K298 WeakPolarHBondContact O-CG 3.41Å; I294-K298 PolarHBondContact O-N 3.35Å; I294-Y323 WeakPolarHBondContact CG2-OH 3.45Å |
| 295 | V | 93.9 | Very high | 93.3 | Very high | 92 Ų | 92 | 68.4 Ų | 68.4 | 56% | 0.558 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.8 | -31.3 | 179.7 | -176.1 | 0 | 0 | 0 | 0 | 110.9 | S293 R299 | S293-V295 VanDerWaalsContact C-N 3.29Å; S293-V295 PolarHBondContact O-N 2.78Å; S293-V295 PolarHBondContact OG-N 3.44Å; V295-R299 WeakPolarHBondContact O-CB 3.33Å; V295-R299 PolarHBondContact O-N 2.66Å |
| 296 | G | 94.4 | Very high | 92.9 | Very high | 19 Ų | 19 | 65 Ų | 65 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.5 | -49.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | L291 S293 I294 R299 H300 | L291-G296 VanDerWaalsContact CD1-C 3.49Å; L291-G296 WeakPolarHBondContact CD1-O 3.48Å; S293-G296 WeakPolarHBondContact O-CA 3.37Å; S293-G296 PolarHBondContact O-N 2.89Å; I294-G296 VanDerWaalsContact C-N 3.26Å; I294-G296 PolarHBondContact O-N 2.75Å; G296-R299 PolarHBondContact O-N 3.42Å; G296-H300 WeakPolarHBondContact O-CB 3.15Å; G296-H300 PolarHBondContact O-N 3.13Å |
| 297 | I | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69 | -44.3 | -176.4 | -148.9 | 70.3 | 0 | 0 | 0 | 112 | Y280 C282 L291 S293 I294 R299 H300 I301 Y323 | Y280-I297 HydrophobicContact CG-CG2 4.44Å; Y280-I297 VanDerWaalsContact O-CD1 3.24Å; Y280-I297 WeakPolarHBondContact O-CD1 3.41Å; C282-I297 HydrophobicContact CB-CD1 4.11Å; L291-I297 HydrophobicContact CB-CD1 4.06Å; L291-I297 HydrophobicContact CD1-CD1 3.98Å; L291-I297 HydrophobicContact CG-CD1 4.03Å; S293-I297 PolarHBondContact O-N 2.57Å; I294-I297 WeakPolarHBondContact O-CG2 3.4Å; I294-I297 PolarHBondContact O-N 2.92Å; I297-R299 PolarHBondContact O-N 2.78Å; I297-H300 WeakPolarHBondContact O-CB 3.14Å; I297-H300 PolarHBondContact O-N 2.8Å; I297-I301 HydrophobicContact CG1-CD1 4.03Å; I297-I301 WeakPolarHBondContact O-CB 3.48Å; I297-I301 WeakPolarHBondContact O-CD1 3.44Å; I297-I301 WeakPolarHBondContact O-CG1 3.22Å; I297-I301 PolarHBondContact O-N 3.09Å; I297-Y323 HydrophobicContact CG1-CG 4.43Å; I297-Y323 HydrophobicContact CG2-CD1 3.48Å; I297-Y323 VanDerWaalsContact CG2-CD1 3.48Å; I297-Y323 HydrophobicContact CG2-CD2 4.02Å; I297-Y323 HydrophobicContact CG2-CE1 3.86Å; I297-Y323 HydrophobicContact CG2-CE2 4.39Å; I297-Y323 HydrophobicContact CG2-CG 3.56Å |
| 298 | K | 93.8 | Very high | 90.8 | Very high | 41 Ų | 41 | 64.2 Ų | 64.2 | 18% | 0.178 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 173.1 | -75.2 | 173.6 | 167.8 | -72 | 0 | 111.8 | I294 H300 I301 K302 E319 D320 Y323 | I294-K298 HydrophobicContact CG2-CD 3.86Å; I294-K298 HydrophobicContact CG2-CG 4.32Å; I294-K298 WeakPolarHBondContact O-CB 3.19Å; I294-K298 WeakPolarHBondContact O-CG 3.41Å; I294-K298 PolarHBondContact O-N 3.35Å; K298-H300 PolarHBondContact O-N 3.5Å; K298-I301 PolarHBondContact O-N 2.77Å; K298-K302 PolarHBondContact O-N 2.75Å; K298-E319 VanDerWaalsContact CD-OE1 3.22Å; K298-E319 WeakPolarHBondContact CD-OE1 3.43Å; K298-E319 WeakPolarHBondContact CE-OE1 3.23Å; K298-E319 HydrophobicContact CG-CG 4.29Å; K298-E319 IonicContact NZ-OE1 2.62Å; K298-E319 PolarHBondContact NZ-OE1 3.05Å; K298-D320 WeakPolarHBondContact CE-OD1 3.44Å; K298-D320 IonicContact NZ-OD1 2.92Å; K298-D320 PolarHBondContact NZ-OD1 3.46Å; K298-D320 IonicContact NZ-OD2 2.95Å; K298-D320 PolarHBondContact NZ-OD2 3.14Å; K298-Y323 HydrophobicContact CG-CE1 3.99Å |
| 299 | R | 94.4 | Very high | 89.3 | Confident | 173 Ų | 173 | 65.3 Ų | 65.3 | 65% | 0.653 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.1 | -45.1 | 176.6 | -178.9 | -174.5 | -63.6 | 144.3 | 1 | 111.6 | V295 G296 I297 A303 | V295-R299 WeakPolarHBondContact O-CB 3.33Å; V295-R299 PolarHBondContact O-N 2.66Å; G296-R299 PolarHBondContact O-N 3.42Å; I297-R299 PolarHBondContact O-N 2.78Å; R299-A303 WeakPolarHBondContact O-CB 3.34Å; R299-A303 PolarHBondContact O-N 2.85Å |
| 300 | H | 94.6 | Very high | 87.4 | Confident | 18 Ų | 18 | 67.6 Ų | 67.6 | 8% | 0.083 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 177.3 | 158.1 | 30.2 | 0 | 0 | 0 | 111.3 | C287 L291 G296 I297 K298 A303 L304 H305 | C287-H300 PolarHBondContact SG-CE1 3.01Å; C287-H300 PolarHBondContact SG-NE2 3.41Å; L291-H300 HydrophobicContact CD1-CB 4.16Å; G296-H300 WeakPolarHBondContact O-CB 3.15Å; G296-H300 PolarHBondContact O-N 3.13Å; I297-H300 WeakPolarHBondContact O-CB 3.14Å; I297-H300 PolarHBondContact O-N 2.8Å; K298-H300 PolarHBondContact O-N 3.5Å; H300-A303 PolarHBondContact O-N 2.82Å; H300-L304 WeakPolarHBondContact O-CB 3.41Å; H300-L304 PolarHBondContact O-N 3.27Å; H300-H305 AromaticContact CE1-CD2 3.78Å |
| 301 | I | 93.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.4 | -50.5 | 179.6 | -75.3 | 160.9 | 0 | 0 | 0 | 110.5 | I297 K298 A303 H305 L306 E319 Y322 Y323 | I297-I301 HydrophobicContact CG1-CD1 4.03Å; I297-I301 WeakPolarHBondContact O-CB 3.48Å; I297-I301 WeakPolarHBondContact O-CD1 3.44Å; I297-I301 WeakPolarHBondContact O-CG1 3.22Å; I297-I301 PolarHBondContact O-N 3.09Å; K298-I301 PolarHBondContact O-N 2.77Å; I301-A303 PolarHBondContact O-N 2.85Å; I301-H305 WeakPolarHBondContact O-CA 3.45Å; I301-H305 VanDerWaalsContact O-CB 3.28Å; I301-H305 WeakPolarHBondContact O-CB 3.47Å; I301-H305 PolarHBondContact O-N 2.87Å; I301-L306 HydrophobicContact CG2-CD1 3.45Å; I301-L306 VanDerWaalsContact CG2-CD1 3.45Å; I301-L306 PolarHBondContact O-N 2.64Å; I301-E319 HydrophobicContact CG2-CB 4.26Å; I301-Y322 WeakPolarHBondContact CD1-O 3.34Å; I301-Y322 HydrophobicContact CG2-CD2 4.29Å; I301-Y323 HydrophobicContact CD1-CD1 4.05Å; I301-Y323 HydrophobicContact CD1-CG 4.49Å |
| 302 | K | 91 | Very high | 83.7 | Confident | 57 Ų | 57 | 68.3 Ų | 68.3 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | I | π-helix | trans | -60.9 | -46.6 | 176 | -173.7 | 173.6 | 178 | -170 | 0 | 112.1 | K298 G307 D308 S312 | K298-K302 PolarHBondContact O-N 2.75Å; K302-G307 PolarHBondContact O-N 2.97Å; K302-D308 WeakPolarHBondContact CE-OD1 3.48Å; K302-D308 IonicContact NZ-OD1 2.68Å; K302-D308 PolarHBondContact NZ-OD1 3.07Å; K302-S312 PolarHBondContact NZ-OG 2.94Å |
| 303 | A | 91.1 | Very high | 82.1 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 57% | 0.57 | 38% | 0.381 | S | S | * | . | I | π-helix | trans | -74 | -30.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115 | R299 H300 I301 | R299-A303 WeakPolarHBondContact O-CB 3.34Å; R299-A303 PolarHBondContact O-N 2.85Å; H300-A303 PolarHBondContact O-N 2.82Å; I301-A303 PolarHBondContact O-N 2.85Å |
| 304 | L | 91.7 | Very high | 80.4 | Confident | 97 Ų | 97 | 71.6 Ų | 71.6 | 51% | 0.508 | 39% | 0.392 | S | S | . | . | I | π-helix | trans | -112.1 | -9.3 | -174.9 | -57.8 | -171.2 | 0 | 0 | 0 | 114.6 | K289 H300 | K289-L304 VanDerWaalsContact NZ-CD1 3.33Å; H300-L304 WeakPolarHBondContact O-CB 3.41Å; H300-L304 PolarHBondContact O-N 3.27Å |
| 305 | H | 91.1 | Very high | 78.8 | Confident | 63 Ų | 63 | 71.4 Ų | 71.4 | 29% | 0.292 | 39% | 0.39 | S | S | . | . | I | π-helix | trans | -130.8 | -47.6 | -170.2 | -62 | -34.6 | 0 | 0 | 0 | 114.7 | W284 C287 H300 I301 | W284-H305 VanDerWaalsContact CB-CD2 3.49Å; W284-H305 WeakPolarHBondContact CB-CD2 3.07Å; W284-H305 AromaticContact CD1-CE1 3.81Å; W284-H305 AromaticContact CD1-CG 3.77Å; W284-H305 AromaticContact CD1-ND1 3.53Å; W284-H305 HydrophobicContact CD2-CB 3.47Å; W284-H305 VanDerWaalsContact CD2-CB 3.47Å; W284-H305 AromaticContact CD2-CD2 3.81Å; W284-H305 AromaticContact CD2-CG 3.51Å; W284-H305 AromaticContact CE2-CG 3.82Å; W284-H305 HydrophobicContact CE3-CB 3.57Å; W284-H305 AromaticContact CE3-CG 3.98Å; W284-H305 HydrophobicContact CG-CB 4.05Å; W284-H305 AromaticContact CG-CD2 3.5Å; W284-H305 VanDerWaalsContact CG-CD2 3.5Å; W284-H305 AromaticContact CG-CG 3.51Å; W284-H305 AromaticContact CG-ND1 3.74Å; W284-H305 HydrophobicContact CH2-CB 3.87Å; W284-H305 HydrophobicContact CZ2-CB 3.78Å; W284-H305 HydrophobicContact CZ3-CB 3.76Å; W284-H305 AromaticContact NE1-CE1 3.74Å; W284-H305 AromaticContact NE1-CG 3.95Å; W284-H305 AromaticContact NE1-ND1 3.75Å; C287-H305 WeakPolarHBondContact CB-NE2 3.31Å; H300-H305 AromaticContact CE1-CD2 3.78Å; I301-H305 WeakPolarHBondContact O-CA 3.45Å; I301-H305 VanDerWaalsContact O-CB 3.28Å; I301-H305 WeakPolarHBondContact O-CB 3.47Å; I301-H305 PolarHBondContact O-N 2.87Å |
| 306 | L | 86.4 | Confident | 77.3 | Confident | 27 Ų | 27 | 72.6 Ų | 72.6 | 14% | 0.141 | 39% | 0.387 | C | S | . | . | I | π-helix | trans | -88 | -22.1 | 176.6 | -72.3 | 77.1 | 0 | 0 | 0 | 112.8 | W284 I301 F315 E318 Y322 | W284-L306 HydrophobicContact CE3-CD1 4.47Å; W284-L306 HydrophobicContact CH2-CD1 4.1Å; W284-L306 HydrophobicContact CH2-CG 4.49Å; W284-L306 HydrophobicContact CZ3-CD1 3.63Å; W284-L306 HydrophobicContact CZ3-CG 4.41Å; I301-L306 HydrophobicContact CG2-CD1 3.45Å; I301-L306 VanDerWaalsContact CG2-CD1 3.45Å; I301-L306 PolarHBondContact O-N 2.64Å; L306-F315 HydrophobicContact CD2-CB 3.95Å; L306-F315 HydrophobicContact CD2-CD1 3.94Å; L306-F315 HydrophobicContact CD2-CG 4.23Å; L306-E318 HydrophobicContact CD2-CB 4.36Å; L306-Y322 HydrophobicContact CD1-CD2 4.12Å; L306-Y322 HydrophobicContact CD1-CE2 4.27Å |
| 307 | G | 73.4 | Confident | 76.1 | Confident | 30 Ų | 30 | 81 Ų | 81 | 31% | 0.309 | 41% | 0.413 | S | S | . | . | trans | 74 | 173.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K302 T309 | K302-G307 PolarHBondContact O-N 2.97Å; G307-T309 VanDerWaalsContact C-N 3.27Å; G307-T309 PolarHBondContact O-N 3.28Å | ||
| 308 | D | 65.4 | Low | 75.4 | Confident | 141 Ų | 141 | 84 Ų | 84 | 75% | 0.754 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -90.9 | 63.5 | 175.7 | -154.6 | 30.3 | 0 | 0 | 0 | 110.9 | K302 | K302-D308 WeakPolarHBondContact CE-OD1 3.48Å; K302-D308 IonicContact NZ-OD1 2.68Å; K302-D308 PolarHBondContact NZ-OD1 3.07Å |
| 309 | T | 58 | Low | 75 | Confident | 60 Ų | 60 | 83.3 Ų | 83.3 | 37% | 0.368 | 42% | 0.424 | S | S | . | . | trans | -73.6 | 149 | 174.4 | 54 | 0 | 0 | 0 | 0 | 111.1 | G307 D311 S312 F315 | G307-T309 VanDerWaalsContact C-N 3.27Å; G307-T309 PolarHBondContact O-N 3.28Å; T309-D311 VanDerWaalsContact C-N 3.28Å; T309-D311 PolarHBondContact O-N 2.92Å; T309-S312 PolarHBondContact O-OG 2.96Å; T309-F315 VanDerWaalsContact OG1-CD2 3.31Å; T309-F315 WeakPolarHBondContact OG1-CD2 3.49Å; T309-F315 WeakPolarHBondContact OG1-CE2 3.36Å | ||
| 310 | V | 55.3 | Low | 74.8 | Confident | 151 Ų | 151 | 78.1 Ų | 78.1 | 92% | 0.915 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -64.9 | -25.2 | -168.1 | 169.1 | 0 | 0 | 0 | 0 | 113.6 | S312 | V310-S312 PolarHBondContact O-N 3.16Š|
| 311 | D | 54.1 | Low | 74.7 | Confident | 87 Ų | 87 | 84.3 Ų | 84.3 | 47% | 0.465 | 44% | 0.437 | S | S | . | . | trans | -84.6 | 57.5 | -178.3 | -149 | -51.4 | 0 | 0 | 0 | 113.4 | T309 D313 Q314 F315 | T309-D311 VanDerWaalsContact C-N 3.28Å; T309-D311 PolarHBondContact O-N 2.92Å; D311-D313 PolarHBondContact O-N 3.22Å; D311-Q314 PolarHBondContact O-N 2.76Å; D311-Q314 WeakPolarHBondContact OD1-CB 3.48Å; D311-Q314 PolarHBondContact OD1-N 2.67Å; D311-F315 HydrophobicContact CB-CD2 4.38Å; D311-F315 HydrophobicContact CB-CE2 4.09Å; D311-F315 VanDerWaalsContact O-CD2 3.25Å; D311-F315 WeakPolarHBondContact O-CD2 3.2Å | ||
| 312 | S | 59.4 | Low | 74.6 | Confident | 53 Ų | 53 | 87.5 Ų | 87.5 | 37% | 0.371 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 3.4 | -171.7 | -81.1 | 0 | 0 | 0 | 0 | 116.4 | K302 T309 V310 | K302-S312 PolarHBondContact NZ-OG 2.94Å; T309-S312 PolarHBondContact O-OG 2.96Å; V310-S312 PolarHBondContact O-N 3.16Å |
| 313 | D | 60.5 | Low | 74.8 | Confident | 129 Ų | 129 | 86.3 Ų | 86.3 | 69% | 0.69 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -22.1 | 172.2 | -112.7 | 6 | 0 | 0 | 0 | 112.5 | D311 | D311-D313 PolarHBondContact O-N 3.22Š|
| 314 | Q | 58.5 | Low | 75 | Confident | 136 Ų | 136 | 86.3 Ų | 86.3 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -53 | 172.6 | -173.6 | 164.4 | 105.9 | 0 | 0 | 111.6 | D311 K316 R317 | D311-Q314 PolarHBondContact O-N 2.76Å; D311-Q314 WeakPolarHBondContact OD1-CB 3.48Å; D311-Q314 PolarHBondContact OD1-N 2.67Å; Q314-K316 PolarHBondContact O-N 2.77Å; Q314-R317 PolarHBondContact O-N 3.06Å |
| 315 | F | 58.2 | Low | 75.2 | Confident | 57 Ų | 57 | 86.9 Ų | 86.9 | 25% | 0.25 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.9 | -16.2 | 179.9 | -65 | -63.2 | 0 | 0 | 0 | 114.2 | L306 T309 D311 R317 E318 E319 | L306-F315 HydrophobicContact CD2-CB 3.95Å; L306-F315 HydrophobicContact CD2-CD1 3.94Å; L306-F315 HydrophobicContact CD2-CG 4.23Å; T309-F315 VanDerWaalsContact OG1-CD2 3.31Å; T309-F315 WeakPolarHBondContact OG1-CD2 3.49Å; T309-F315 WeakPolarHBondContact OG1-CE2 3.36Å; D311-F315 HydrophobicContact CB-CD2 4.38Å; D311-F315 HydrophobicContact CB-CE2 4.09Å; D311-F315 VanDerWaalsContact O-CD2 3.25Å; D311-F315 WeakPolarHBondContact O-CD2 3.2Å; F315-R317 PolarHBondContact O-N 3Å; F315-E318 WeakPolarHBondContact CD1-OE2 3.44Å; F315-E318 WeakPolarHBondContact O-CA 3.37Å; F315-E318 WeakPolarHBondContact O-CB 3.05Å; F315-E318 PolarHBondContact O-N 3.27Å; F315-E319 PolarHBondContact O-N 2.8Å |
| 316 | K | 62.3 | Low | 75.2 | Confident | 117 Ų | 117 | 88.3 Ų | 88.3 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -71.4 | -10.4 | -178.5 | -158.8 | 174.5 | -174.5 | 172.2 | 0 | 114.8 | Q314 E319 | Q314-K316 PolarHBondContact O-N 2.77Å; K316-E319 WeakPolarHBondContact O-CG 3.48Å |
| 317 | R | 70.3 | Confident | 75.2 | Confident | 194 Ų | 194 | 94.1 Ų | 94.1 | 73% | 0.732 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -95.4 | -28 | 163.8 | -174.2 | -177.2 | -68.8 | 164.2 | -0.2 | 111.6 | Q314 F315 D320 F321 | Q314-R317 PolarHBondContact O-N 3.06Å; F315-R317 PolarHBondContact O-N 3Å; R317-D320 PolarHBondContact O-N 3.31Å; R317-F321 HydrophobicContact CG-CE2 4.32Å; R317-F321 WeakPolarHBondContact O-CD2 3.2Å; R317-F321 WeakPolarHBondContact O-CE2 3.48Å |
| 318 | E | 80.9 | Confident | 75.1 | Confident | 65 Ų | 65 | 98.1 Ų | 98.1 | 30% | 0.304 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.5 | -35.4 | -177.7 | -144.4 | -175.6 | 111 | 0 | 0 | 112 | L306 F315 D320 F321 Y322 | L306-E318 HydrophobicContact CD2-CB 4.36Å; F315-E318 WeakPolarHBondContact CD1-OE2 3.44Å; F315-E318 WeakPolarHBondContact O-CA 3.37Å; F315-E318 WeakPolarHBondContact O-CB 3.05Å; F315-E318 PolarHBondContact O-N 3.27Å; E318-D320 PolarHBondContact O-N 3.48Å; E318-F321 PolarHBondContact O-N 2.87Å; E318-Y322 HydrophobicContact CG-CE2 3.92Å; E318-Y322 VanDerWaalsContact O-CD2 3.23Å; E318-Y322 WeakPolarHBondContact O-CD2 3.19Å; E318-Y322 PolarHBondContact OE1-OH 3.23Å |
| 319 | E | 85.1 | Confident | 74.7 | Confident | 25 Ų | 25 | 98.6 Ų | 98.6 | 12% | 0.117 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -21.1 | 173.8 | 61.6 | -179.7 | -138.7 | 0 | 0 | 114.4 | K298 I301 F315 K316 Y323 | K298-E319 VanDerWaalsContact CD-OE1 3.22Å; K298-E319 WeakPolarHBondContact CD-OE1 3.43Å; K298-E319 WeakPolarHBondContact CE-OE1 3.23Å; K298-E319 HydrophobicContact CG-CG 4.29Å; K298-E319 IonicContact NZ-OE1 2.62Å; K298-E319 PolarHBondContact NZ-OE1 3.05Å; I301-E319 HydrophobicContact CG2-CB 4.26Å; F315-E319 PolarHBondContact O-N 2.8Å; K316-E319 WeakPolarHBondContact O-CG 3.48Å; E319-Y323 WeakPolarHBondContact O-CD1 3.37Å |
| 320 | D | 90.4 | Very high | 74.5 | Confident | 65 Ų | 65 | 102.3 Ų | 102.3 | 35% | 0.348 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -16.4 | 177.3 | -71.6 | -38.4 | 0 | 0 | 0 | 114.4 | K298 R317 E318 Y323 | K298-D320 WeakPolarHBondContact CE-OD1 3.44Å; K298-D320 IonicContact NZ-OD1 2.92Å; K298-D320 PolarHBondContact NZ-OD1 3.46Å; K298-D320 IonicContact NZ-OD2 2.95Å; K298-D320 PolarHBondContact NZ-OD2 3.14Å; R317-D320 PolarHBondContact O-N 3.31Å; E318-D320 PolarHBondContact O-N 3.48Å; D320-Y323 HydrophobicContact CB-CE1 4.48Å; D320-Y323 WeakPolarHBondContact OD1-CE1 3.48Å; D320-Y323 PolarHBondContact OD1-OH 3.12Å; D320-Y323 VanDerWaalsContact OD1-OH 3.13Å |
| 321 | F | 92.4 | Very high | 73.7 | Confident | 148 Ų | 148 | 101.7 Ų | 101.7 | 65% | 0.649 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -20.6 | 175.2 | -69.4 | -100.4 | 0 | 0 | 0 | 112.4 | R317 E318 | R317-F321 HydrophobicContact CG-CE2 4.32Å; R317-F321 WeakPolarHBondContact O-CD2 3.2Å; R317-F321 WeakPolarHBondContact O-CE2 3.48Å; E318-F321 PolarHBondContact O-N 2.87Å |
| 322 | Y | 92.2 | Very high | 73.1 | Confident | 67 Ų | 67 | 101.2 Ų | 101.2 | 26% | 0.263 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 14 | -173.3 | -61.1 | -66.2 | 0 | 0 | 0 | 114.3 | C282 L283 W284 I301 L306 E318 | C282-Y322 WeakPolarHBondContact CA-O 3.34Å; L283-Y322 PolarHBondContact N-O 3.34Å; W284-Y322 AromaticContact CE3-CD1 3.48Å; W284-Y322 HydrophobicContact CE3-CD1 3.48Å; W284-Y322 VanDerWaalsContact CE3-CD1 3.48Å; W284-Y322 HydrophobicContact CE3-CD2 4.13Å; W284-Y322 AromaticContact CE3-CE1 3.79Å; W284-Y322 HydrophobicContact CE3-CE1 3.79Å; W284-Y322 HydrophobicContact CE3-CE2 4.39Å; W284-Y322 AromaticContact CE3-CG 3.67Å; W284-Y322 HydrophobicContact CE3-CG 3.67Å; W284-Y322 HydrophobicContact CH2-CE1 4.47Å; W284-Y322 AromaticContact CZ3-CD1 3.68Å; W284-Y322 HydrophobicContact CZ3-CD1 3.68Å; W284-Y322 AromaticContact CZ3-CD2 3.76Å; W284-Y322 HydrophobicContact CZ3-CD2 3.76Å; W284-Y322 AromaticContact CZ3-CE1 3.58Å; W284-Y322 HydrophobicContact CZ3-CE1 3.58Å; W284-Y322 AromaticContact CZ3-CE2 3.65Å; W284-Y322 HydrophobicContact CZ3-CE2 3.65Å; W284-Y322 AromaticContact CZ3-CG 3.77Å; W284-Y322 HydrophobicContact CZ3-CG 3.77Å; W284-Y322 AromaticContact CZ3-CZ 3.56Å; I301-Y322 WeakPolarHBondContact CD1-O 3.34Å; I301-Y322 HydrophobicContact CG2-CD2 4.29Å; L306-Y322 HydrophobicContact CD1-CD2 4.12Å; L306-Y322 HydrophobicContact CD1-CE2 4.27Å; E318-Y322 HydrophobicContact CG-CE2 3.92Å; E318-Y322 VanDerWaalsContact O-CD2 3.23Å; E318-Y322 WeakPolarHBondContact O-CD2 3.19Å; E318-Y322 PolarHBondContact OE1-OH 3.23Å |
| 323 | Y | 94.9 | Very high | 72.5 | Confident | 31 Ų | 31 | 103.7 Ų | 103.7 | 12% | 0.122 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 166.3 | 167.8 | 72.7 | -99.4 | 0 | 0 | 0 | 113.7 | Y280 K281 I294 I297 K298 I301 E319 D320 E325 | Y280-Y323 AromaticContact CD1-CD2 3.99Å; Y280-Y323 HydrophobicContact CD1-CD2 3.99Å; Y280-Y323 AromaticContact CD1-CE2 3.86Å; Y280-Y323 HydrophobicContact CD1-CE2 3.86Å; Y280-Y323 HydrophobicContact CE1-CE2 4.43Å; K281-Y323 CarbonylContact O-C 3.57Å; K281-Y323 WeakPolarHBondContact O-CA 3.46Å; K281-Y323 WeakPolarHBondContact O-CB 3.03Å; I294-Y323 WeakPolarHBondContact CG2-OH 3.45Å; I297-Y323 HydrophobicContact CG1-CG 4.43Å; I297-Y323 HydrophobicContact CG2-CD1 3.48Å; I297-Y323 VanDerWaalsContact CG2-CD1 3.48Å; I297-Y323 HydrophobicContact CG2-CD2 4.02Å; I297-Y323 HydrophobicContact CG2-CE1 3.86Å; I297-Y323 HydrophobicContact CG2-CE2 4.39Å; I297-Y323 HydrophobicContact CG2-CG 3.56Å; K298-Y323 HydrophobicContact CG-CE1 3.99Å; I301-Y323 HydrophobicContact CD1-CD1 4.05Å; I301-Y323 HydrophobicContact CD1-CG 4.49Å; E319-Y323 WeakPolarHBondContact O-CD1 3.37Å; D320-Y323 HydrophobicContact CB-CE1 4.48Å; D320-Y323 WeakPolarHBondContact OD1-CE1 3.48Å; D320-Y323 PolarHBondContact OD1-OH 3.12Å; D320-Y323 VanDerWaalsContact OD1-OH 3.13Å; Y323-E325 HydrophobicContact CE2-CG 4.3Å |
| 324 | T | 95.1 | Very high | 71.7 | Confident | 70 Ų | 70 | 102.7 Ų | 102.7 | 43% | 0.429 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 143.4 | 170.5 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | Y280 K281 L283 M326 | Y280-T324 WeakPolarHBondContact CA-O 3.33Å; K281-T324 PolarHBondContact N-O 3.06Å; K281-T324 PolarHBondContact O-N 2.87Å; L283-T324 WeakPolarHBondContact CD1-OG1 3.37Å; T324-M326 PolarHBondContact O-N 3.33Å |
| 325 | E | 95.3 | Very high | 71 | Confident | 108 Ų | 108 | 100.8 Ų | 100.8 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 107.2 | 176.6 | -43 | -156 | 169.1 | 0 | 0 | 110.1 | V278 Y280 Y323 | V278-E325 HydrophobicContact CG1-CB 4.25Å; Y280-E325 HydrophobicContact CD1-CB 4.34Å; Y280-E325 HydrophobicContact CD1-CG 3.88Å; Y280-E325 HydrophobicContact CE1-CB 4.12Å; Y280-E325 VanDerWaalsContact CE1-CD 3.44Å; Y280-E325 HydrophobicContact CE1-CG 3.6Å; Y323-E325 HydrophobicContact CE2-CG 4.3Å |
| 326 | M | 90.4 | Very high | 70.3 | Confident | 94 Ų | 94 | 103 Ų | 103 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 113.6 | 171.8 | -70.6 | 175 | 56.7 | 0 | 0 | 109.4 | M279 K281 T324 M328 | M279-M326 PolarHBondContact N-O 3.02Å; M279-M326 PolarHBondContact O-N 3.4Å; K281-M326 HydrophobicContact CB-CG 4.39Å; K281-M326 HydrophobicContact CB-SD 3.63Å; K281-M326 HydrophobicContact CD-SD 3.79Å; K281-M326 HydrophobicContact CG-SD 4.31Å; T324-M326 PolarHBondContact O-N 3.33Å; M326-M328 PolarHBondContact O-N 2.91Å |
| 327 | Q | 87.9 | Confident | 69.2 | Low | 149 Ų | 149 | 102.1 Ų | 102.1 | 70% | 0.696 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.3 | 119.8 | 165.1 | -68.2 | -172.6 | 79.4 | 0 | 0 | 109 | K329 | Q327-K329 VanDerWaalsContact C-N 3.28Å; Q327-K329 PolarHBondContact O-N 2.77Å |
| 328 | M | 71.2 | Confident | 67.7 | Low | 113 Ų | 113 | 97.3 Ų | 97.3 | 56% | 0.557 | 56% | 0.557 | S | S | * | * | trans | -74.8 | 85.8 | 173.9 | -159.4 | 167.2 | -169.8 | 0 | 0 | 107.8 | K277 M279 M326 E330 | K277-M328 WeakPolarHBondContact O-CB 3.13Å; K277-M328 PolarHBondContact O-N 2.93Å; M279-M328 HydrophobicContact CE-CE 4.29Å; M279-M328 HydrophobicContact CE-SD 3.63Å; M326-M328 PolarHBondContact O-N 2.91Å; M328-E330 PolarHBondContact O-N 3.11Å | ||
| 329 | K | 56.7 | Low | 65.7 | Low | 151 Ų | 151 | 98.9 Ų | 98.9 | 66% | 0.657 | 58% | 0.581 | S | S | * | * | trans | -60.6 | 104 | 169.3 | -173.7 | -164.6 | 179.7 | -158.9 | 0 | 107.2 | Q327 E331 | Q327-K329 VanDerWaalsContact C-N 3.28Å; Q327-K329 PolarHBondContact O-N 2.77Å; K329-E331 WeakPolarHBondContact CE-OE2 3.47Å; K329-E331 IonicContact NZ-OE1 2.78Å; K329-E331 PolarHBondContact NZ-OE1 3.22Å; K329-E331 IonicContact NZ-OE2 2.66Å; K329-E331 PolarHBondContact NZ-OE2 3.02Å; K329-E331 PolarHBondContact O-N 3.17Å | ||
| 330 | E | 52.6 | Low | 63.5 | Low | 139 Ų | 139 | 104.9 Ų | 104.9 | 65% | 0.65 | 62% | 0.619 | S | S | * | * | trans | -74.1 | 79.9 | 171.6 | -167.2 | 173.4 | 149.7 | 0 | 0 | 107.7 | K277 M328 S332 | K277-E330 WeakPolarHBondContact CE-OE2 3.05Å; K277-E330 IonicContact NZ-OE2 2.57Å; K277-E330 PolarHBondContact NZ-OE2 2.8Å; M328-E330 PolarHBondContact O-N 3.11Å; E330-S332 PolarHBondContact O-N 3.45Å; E330-S332 VanDerWaalsContact O-N 3.14Å | ||
| 331 | E | 40 | Very low | 60.6 | Low | 137 Ų | 137 | 105.2 Ų | 105.2 | 64% | 0.64 | 64% | 0.638 | S | S | * | * | trans | -63.4 | 106 | 169.2 | -164.5 | 89.5 | 94.1 | 0 | 0 | 107.1 | K329 A333 | K329-E331 WeakPolarHBondContact CE-OE2 3.47Å; K329-E331 IonicContact NZ-OE1 2.78Å; K329-E331 PolarHBondContact NZ-OE1 3.22Å; K329-E331 IonicContact NZ-OE2 2.66Å; K329-E331 PolarHBondContact NZ-OE2 3.02Å; K329-E331 PolarHBondContact O-N 3.17Å; E331-A333 PolarHBondContact O-N 3.28Å | ||
| 332 | S | 39.8 | Very low | 57.8 | Low | 77 Ų | 77 | 104.1 Ų | 104.1 | 54% | 0.538 | 64% | 0.643 | S | S | . | * | trans | -65.1 | 120.5 | -173.6 | -163.2 | 0 | 0 | 0 | 0 | 110 | E330 T334 | E330-S332 PolarHBondContact O-N 3.45Å; E330-S332 VanDerWaalsContact O-N 3.14Å; S332-T334 WeakPolarHBondContact CB-OG1 3.24Å; S332-T334 PolarHBondContact O-N 3.42Å; S332-T334 PolarHBondContact OG-OG1 3.18Å | ||
| 333 | A | 46.9 | Very low | 55 | Low | 106 Ų | 106 | 108.4 Ų | 108.4 | 88% | 0.876 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 38.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E331 | E331-A333 PolarHBondContact O-N 3.28Š|
| 334 | T | 45.2 | Very low | 52.2 | Low | 108 Ų | 108 | 113 Ų | 113 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.7 | 20.1 | -171.8 | 60.6 | 0 | 0 | 0 | 0 | 112.1 | S332 | S332-T334 WeakPolarHBondContact CB-OG1 3.24Å; S332-T334 PolarHBondContact O-N 3.42Å; S332-T334 PolarHBondContact OG-OG1 3.18Å |
| 335 | A | 43.1 | Very low | 49.9 | Very low | 95 Ų | 95 | 115.6 Ų | 115.6 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -113.2 | 3.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 336 | A | 43.9 | Very low | 46.7 | Very low | 103 Ų | 103 | 113.6 Ų | 113.6 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -105.1 | 0.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 337 | A | 39.9 | Very low | 43.8 | Very low | 99 Ų | 99 | 116 Ų | 116 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -113.8 | 6.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 338 | A | 37.3 | Very low | 41.8 | Very low | 94 Ų | 94 | 114.5 Ų | 114.5 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -115.9 | 36.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 339 | A | 38.9 | Very low | 39.7 | Very low | 97 Ų | 97 | 115.3 Ų | 115.3 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -144.5 | 32.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 340 | V | 40.4 | Very low | 38.4 | Very low | 152 Ų | 152 | 114.5 Ų | 114.5 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -136 | 118.6 | 171.5 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 341 | G | 29.3 | Very low | 37.5 | Very low | 71 Ų | 71 | 115.3 Ų | 115.3 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | 166.7 | 64.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 342 | T | 32.7 | Very low | 37.6 | Very low | 125 Ų | 125 | 114 Ų | 114 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | trans | -171.1 | 96.6 | 154.7 | -71.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 343 | L | 34.2 | Very low | 37.2 | Very low | 157 Ų | 157 | 115.5 Ų | 115.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | 61.4 | 129.4 | 101.1 | -59.7 | 164 | 0 | 0 | 0 | 112.8 | |||||
| 344 | V | 35.9 | Very low | 37 | Very low | 129 Ų | 129 | 116.1 Ų | 116.1 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | cis | -154.3 | 166 | 16.4 | 107.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 345 | P | 45.4 | Very low | 36.5 | Very low | 123 Ų | 123 | 117 Ų | 117 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -103.1 | 166 | -164.5 | 39.3 | -35.1 | 0 | 0 | 0 | 116.8 | ||||
| 346 | G | 28.4 | Very low | 36.6 | Very low | 66 Ų | 66 | 117.6 Ų | 117.6 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | trans | -175.6 | 84.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 347 | T | 31 | Very low | 35.9 | Very low | 146 Ų | 146 | 117.5 Ų | 117.5 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | trans | 62.6 | 154.9 | 152.7 | 45 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 348 | P | 44.8 | Very low | 35.6 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -112.5 | 166.2 | -171.9 | 41.9 | -33.8 | 0 | 0 | 0 | 115.5 | ||||
| 349 | T | 26.7 | Very low | 35.6 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -171 | 123 | 152.9 | -80.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 350 | T | 29.9 | Very low | 35 | Very low | 134 Ų | 134 | 121.8 Ų | 121.8 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 66.1 | 141.2 | 151.3 | -52 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 351 | E | 33.1 | Very low | 34.7 | Very low | 156 Ų | 156 | 122.8 Ų | 122.8 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | trans | -45.6 | 175.4 | 169.5 | -93.6 | -164.4 | 84 | 0 | 0 | 120 | T353 | E351-T353 PolarHBondContact OE1-OG1 3.38Š| ||
| 352 | P | 43.8 | Very low | 35.1 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | cis | -134.7 | 154.7 | 14.7 | 29.7 | -7.1 | 0 | 0 | 0 | 120 | ||||
| 353 | T | 31.2 | Very low | 35 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | 11.5 | 131.1 | 129.7 | -50.3 | 0 | 0 | 0 | 0 | 118.2 | E351 | E351-T353 PolarHBondContact OE1-OG1 3.38Š| |||
| 354 | P | 41.7 | Very low | 34.9 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | -144.2 | 165.7 | 53.5 | 40.3 | -21 | 0 | 0 | 0 | 120.5 | |||||
| 355 | T | 35.6 | Very low | 34.5 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | trans | -69.9 | 167.4 | 166.3 | 38.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 356 | P | 43.9 | Very low | 34 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | cis | -144.3 | 170 | 36.8 | 42.1 | -21.8 | 0 | 0 | 0 | 120.2 | ||||
| 357 | S | 30.3 | Very low | 34.3 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -87.6 | 157.5 | 169.4 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 358 | M | 34.1 | Very low | 34.7 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | trans | -135 | 114 | 174.4 | -77.6 | -67.5 | 149 | 0 | 0 | 111.9 | ||||
| 359 | T | 35.3 | Very low | 34.9 | Very low | 144 Ų | 144 | 126 Ų | 126 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -142.2 | 128.2 | 165 | -51 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 360 | G | 27.8 | Very low | 35 | Very low | 68 Ų | 68 | 126.8 Ų | 126.8 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -164.1 | 159.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 361 | M | 34.2 | Very low | 35.2 | Very low | 174 Ų | 174 | 127.6 Ų | 127.6 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | cis | -145.1 | 169.2 | 1 | -68.6 | -170.6 | 70.7 | 0 | 0 | 110.7 | ||||
| 362 | P | 37.2 | Very low | 35.1 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -119.6 | -173.6 | 136.2 | 37.1 | -31.6 | 0 | 0 | 0 | 112.9 | ||||
| 363 | L | 31.2 | Very low | 34.4 | Very low | 172 Ų | 172 | 128.2 Ų | 128.2 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | trans | -79.9 | 168.2 | -157.1 | -68.8 | 162.2 | 0 | 0 | 0 | 116.8 | ||||
| 364 | S | 31.6 | Very low | 34.3 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -53.6 | 153.6 | -179.2 | -39.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 365 | A | 27.7 | Very low | 33.6 | Very low | 89 Ų | 89 | 131.9 Ų | 131.9 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | 177.3 | 154.4 | 104.8 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 366 | L | 34.2 | Very low | 33.3 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 68.9 | 141.4 | 165.6 | -53.8 | -178.1 | 0 | 0 | 0 | 119 | ||||
| 367 | P | 34.5 | Very low | 32.5 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | -140.4 | 156.9 | 103.5 | 40 | -29.6 | 0 | 0 | 0 | 115.5 | |||||
| 368 | P | 41 | Very low | 33.3 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | -127.3 | -167.5 | 164.9 | 45.7 | -33.8 | 0 | 0 | 0 | 111.2 | ||||
| 369 | P | 48.7 | Very low | 32.9 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | cis | -132.1 | -163.9 | -14.3 | 32.8 | -10.2 | 0 | 0 | 0 | 113.9 | ||||
| 370 | L | 29.1 | Very low | 32.8 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | 78.9 | 140.5 | 157.6 | -65.8 | 165 | 0 | 0 | 0 | 117.6 | ||||
| 371 | H | 34.1 | Very low | 33.5 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 70% | 0.704 | 79% | 0.792 | S | S | * | * | cis | -166.3 | 140.7 | 5.7 | 40.6 | -81.7 | 0 | 0 | 0 | 114.7 | ||||
| 372 | K | 30.2 | Very low | 33.1 | Very low | 201 Ų | 201 | 130.4 Ų | 130.4 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | 56 | 159 | 146.2 | -66.6 | 179.8 | -179.4 | 178.7 | 0 | 120.2 | ||||
| 373 | A | 28.2 | Very low | 32.8 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 63% | 0.628 | 79% | 0.786 | S | S | * | * | cis | -171.2 | 165.4 | -27.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 374 | Q | 30.1 | Very low | 32.6 | Very low | 194 Ų | 194 | 133.6 Ų | 133.6 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | 65.4 | 170.2 | 166 | -66.4 | 169.5 | -29.7 | 0 | 0 | 117.9 | ||||
| 375 | S | 26.9 | Very low | 32.6 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | 174.3 | 100.8 | -52.2 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 376 | S | 29.5 | Very low | 32.8 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -177.8 | 140.4 | 160.9 | 52.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 377 | G | 27.2 | Very low | 32.9 | Very low | 68 Ų | 68 | 135.6 Ų | 135.6 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -101.7 | -154.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 378 | P | 46.9 | Very low | 33.4 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | cis | -120.5 | -171.9 | -7.2 | 42 | -28.3 | 0 | 0 | 0 | 112 | ||||
| 379 | E | 25.5 | Very low | 33 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -179.7 | 141 | 133.7 | -94.6 | -77.1 | 62.5 | 0 | 0 | 110.3 | ||||
| 380 | H | 32.8 | Very low | 32 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | trans | -121.2 | -175.5 | 165 | -111 | -67.3 | 0 | 0 | 0 | 105.7 | ||||
| 381 | P | 42 | Very low | 32.2 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | cis | -130.1 | -171.2 | 10.5 | 41.9 | -24.1 | 0 | 0 | 0 | 114.1 | ||||
| 382 | G | 26.3 | Very low | 32.3 | Very low | 66 Ų | 66 | 132 Ų | 132 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | 173.9 | 81.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 383 | Q | 31 | Very low | 32.6 | Very low | 180 Ų | 180 | 128.2 Ų | 128.2 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | 40 | 102.6 | 155.4 | -67.6 | 169.7 | -15.6 | 0 | 0 | 118.3 | ||||
| 384 | E | 27 | Very low | 33.4 | Very low | 180 Ų | 180 | 134.7 Ų | 134.7 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | 71.5 | 110.9 | 78.1 | -72.8 | -163.2 | 108.8 | 0 | 0 | 116.3 | |||||
| 385 | S | 31 | Very low | 33.7 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | -174.3 | 141.5 | 127.9 | 34.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 386 | S | 32.7 | Very low | 34.3 | Very low | 123 Ų | 123 | 131 Ų | 131 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | 63.2 | 110.7 | 152 | -55.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 387 | L | 35.9 | Very low | 35.1 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -91.5 | -174.9 | 163.8 | -70.8 | 172.7 | 0 | 0 | 0 | 110.9 | ||||
| 388 | P | 44.8 | Very low | 35.8 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 68% | 0.675 | 82% | 0.82 | S | S | * | * | cis | -134.2 | -178.7 | -46.9 | 36.9 | -21.1 | 0 | 0 | 0 | 113.2 | ||||
| 389 | S | 32 | Very low | 35.3 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | 59.5 | 127.1 | 152.4 | -61.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 390 | G | 29.3 | Very low | 36.1 | Very low | 79 Ų | 79 | 128.2 Ų | 128.2 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | cis | 138 | 152.5 | -3.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 391 | A | 32.1 | Very low | 36.7 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -162.7 | 161.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 392 | L | 36.8 | Very low | 36.9 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | 57 | 87.1 | 160.1 | -51.5 | -173.6 | 0 | 0 | 0 | 119.2 | ||||
| 393 | S | 35.4 | Very low | 37.6 | Very low | 122 Ų | 122 | 137 Ų | 137 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -163.5 | 85.3 | 141.9 | -87.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 394 | K | 45.1 | Very low | 37.9 | Very low | 212 Ų | 212 | 135.8 Ų | 135.8 | 92% | 0.922 | 80% | 0.804 | S | S | * | * | trans | -173.8 | 99.4 | 157.4 | -110.9 | 167.1 | -177.3 | 178.6 | 0 | 111.9 | ||||
| 395 | S | 37.1 | Very low | 38.6 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -133.2 | 135.3 | 161 | -63.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 396 | A | 39.4 | Very low | 39.6 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -109.5 | -169.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 397 | P | 46.9 | Very low | 40.4 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | cis | -130.7 | 162.3 | -8.7 | 39.3 | -23.4 | 0 | 0 | 0 | 114.8 | S399 | P397-S399 PolarHBondContact O-N 2.76Š| ||
| 398 | G | 41.3 | Very low | 40.5 | Very low | 85 Ų | 85 | 130.1 Ų | 130.1 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | trans | -80.4 | 85.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F400 | G398-F400 PolarHBondContact O-N 3.39Š| ||
| 399 | S | 37 | Very low | 40.2 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 57% | 0.573 | 79% | 0.787 | S | S | * | * | trans | -81.9 | 92.4 | -179.3 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | P397 W401 | P397-S399 PolarHBondContact O-N 2.76Å; S399-W401 PolarHBondContact O-N 3.34Å | ||
| 400 | F | 41.3 | Very low | 40.5 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | trans | -72 | 114.8 | 165.4 | 173.8 | -103.6 | 0 | 0 | 0 | 110.3 | G398 H402 | G398-F400 PolarHBondContact O-N 3.39Å; F400-H402 AromaticContact CE1-CD2 3.76Å; F400-H402 AromaticContact CE1-CE1 3.7Å; F400-H402 AromaticContact CE1-NE2 3.41Å; F400-H402 WeakPolarHBondContact CE1-NE2 3.42Å; F400-H402 AromaticContact CZ-CD2 3.77Å; F400-H402 AromaticContact CZ-NE2 3.7Å | ||
| 401 | W | 45.5 | Very low | 40.8 | Very low | 218 Ų | 218 | 138.1 Ų | 138.1 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | -116 | 126.1 | 175.1 | -75 | 106.8 | 0 | 0 | 0 | 110.7 | S399 | S399-W401 PolarHBondContact O-N 3.34Š| ||
| 402 | H | 48 | Very low | 41.4 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -72.4 | 133.2 | 168 | -62.6 | 117.1 | 0 | 0 | 0 | 110.5 | F400 | F400-H402 AromaticContact CE1-CD2 3.76Å; F400-H402 AromaticContact CE1-CE1 3.7Å; F400-H402 AromaticContact CE1-NE2 3.41Å; F400-H402 WeakPolarHBondContact CE1-NE2 3.42Å; F400-H402 AromaticContact CZ-CD2 3.77Å; F400-H402 AromaticContact CZ-NE2 3.7Å | ||
| 403 | I | 39.2 | Very low | 41.7 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -129.5 | 138.5 | 148.4 | -64.3 | -174.6 | 0 | 0 | 0 | 107.9 | ||||
| 404 | Q | 38.8 | Very low | 42 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -87.6 | 132.7 | -166.9 | 176.6 | 178.8 | -5.4 | 0 | 0 | 111.7 | D406 | Q404-D406 HydrophobicContact CG-CB 4.06Å; Q404-D406 PolarHBondContact NE2-OD2 3.07Å | ||
| 405 | A | 40 | Very low | 41.4 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | trans | -112.3 | 84.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 406 | D | 52.1 | Low | 41.6 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 55% | 0.551 | 77% | 0.774 | S | S | * | * | trans | -76.7 | 126 | 176.9 | -153.4 | -59 | 0 | 0 | 0 | 109.6 | Q404 | Q404-D406 HydrophobicContact CG-CB 4.06Å; Q404-D406 PolarHBondContact NE2-OD2 3.07Å | ||
| 407 | H | 49.5 | Very low | 41.3 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | trans | -172.4 | 120.3 | 147 | -84.9 | -20.1 | 0 | 0 | 0 | 110.4 | ||||
| 408 | A | 38.2 | Very low | 41.1 | Very low | 71 Ų | 71 | 144 Ų | 144 | 59% | 0.587 | 78% | 0.778 | S | S | * | * | trans | -77.1 | 167.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 409 | Y | 40.1 | Very low | 41.1 | Very low | 210 Ų | 210 | 146.7 Ų | 146.7 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | cis | -139.5 | 144.1 | 26.2 | -89.4 | -95.5 | 0 | 0 | 0 | 115.4 | ||||
| 410 | Q | 38.1 | Very low | 41 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | trans | 3.1 | 127.1 | 148.3 | -62.4 | 171.3 | -10.1 | 0 | 0 | 119.2 | ||||
| 411 | A | 34.8 | Very low | 41.5 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 141.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 412 | L | 44 | Very low | 40.8 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 151.6 | 176.3 | -75.5 | 172.6 | 0 | 0 | 0 | 111.9 | ||
| 413 | P | 44 | Very low | 40.3 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 171.5 | -175 | 33.6 | -36.9 | 0 | 0 | 0 | 113.9 | ||
| 414 | S | 41 | Very low | 40.1 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 151.3 | -174.2 | 46.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 415 | F | 32.6 | Very low | 39.8 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -128.3 | 145.6 | 164.3 | 47.1 | -92.1 | 0 | 0 | 0 | 110 | ||||
| 416 | Q | 42.5 | Very low | 39.5 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -97.2 | 148.6 | -172.9 | -59.5 | -174.4 | 12.8 | 0 | 0 | 112.6 | ||||
| 417 | I | 32.8 | Very low | 38.9 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -136.2 | 138.2 | 159.5 | -63.6 | -174 | 0 | 0 | 0 | 107.1 | ||||
| 418 | P | 41.7 | Very low | 38.2 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -90.5 | 174.8 | -156.9 | 35.5 | -38.2 | 0 | 0 | 0 | 116.2 | ||||
| 419 | V | 41.4 | Very low | 38 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -94.3 | 157.3 | -177.8 | 176 | 0 | 0 | 0 | 0 | 112 | ||||
| 420 | S | 34.6 | Very low | 37.8 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | 110.8 | 145.7 | 150 | -157.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 421 | P | 53.7 | Low | 37.6 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 60% | 0.604 | 79% | 0.794 | S | S | * | * | cis | -127.7 | 177.1 | -38.4 | 34.3 | -19.5 | 0 | 0 | 0 | 112 | ||||
| 422 | H | 30.6 | Very low | 37.6 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | 171.6 | 135.4 | 121.5 | -96.1 | -71.7 | 0 | 0 | 0 | 114.3 | |||||
| 423 | I | 36 | Very low | 37.9 | Very low | 147 Ų | 147 | 137 Ų | 137 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | 61 | 92.5 | 151 | -47.8 | 158.3 | 0 | 0 | 0 | 119 | ||||
| 424 | Y | 35.2 | Very low | 37.5 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | 49.9 | 140.2 | 118.9 | -138.2 | -121.5 | 0 | 0 | 0 | 123.2 | |||||
| 425 | T | 33.7 | Very low | 37.1 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 68% | 0.681 | 79% | 0.791 | S | S | * | * | trans | 79.2 | 116.9 | 151.6 | 23.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 426 | S | 33.7 | Very low | 37.5 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | 103 | 157.9 | 125.8 | -146.8 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 427 | V | 38.9 | Very low | 36.9 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -130.3 | 155.5 | -159.7 | 170.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 428 | S | 35.7 | Very low | 36.9 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | 67.3 | 121.7 | 172.6 | -67.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 429 | W | 32.8 | Very low | 36.6 | Very low | 268 Ų | 268 | 129.1 Ų | 129.1 | 100% | 1.015 | 78% | 0.782 | S | S | * | * | -167.6 | 176.8 | 117.1 | 53 | -42.9 | 0 | 0 | 0 | 113.1 | |||||
| 430 | A | 35.7 | Very low | 36.2 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -78.8 | 175.7 | -162.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 431 | A | 33.5 | Very low | 36.7 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -108.4 | 148.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 432 | A | 35.1 | Very low | 35.7 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 74 | 154.2 | 173 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 433 | P | 50.5 | Low | 35.9 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | cis | -134.8 | 159.5 | 4.9 | 41 | -24.3 | 0 | 0 | 0 | 118.3 | ||||
| 434 | S | 35 | Very low | 35.7 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 76.9 | 157.1 | 140 | -67.9 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 435 | T | 34.3 | Very low | 35.7 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | trans | 74.4 | 134 | 169.5 | 56.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 436 | A | 39.6 | Very low | 35.5 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | cis | 114.8 | 164.2 | 19.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 437 | C | 29.4 | Very low | 35.5 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | cis | -100 | -129.7 | -1.8 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 438 | S | 34 | Very low | 35.1 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | cis | -163.2 | 174.1 | -1.5 | -139.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 439 | L | 35.1 | Very low | 35 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | cis | -140.2 | -164.4 | 11.3 | -106 | 178.7 | 0 | 0 | 0 | 109.4 | ||||
| 440 | S | 32.1 | Very low | 35 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -152.2 | 168.7 | 167.5 | 66.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 441 | P | 47.1 | Very low | 35.2 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | -156.8 | 139.3 | 105.4 | 37.8 | -17.9 | 0 | 0 | 0 | 119.8 | |||||
| 442 | V | 32.6 | Very low | 35.7 | Very low | 117 Ų | 117 | 131 Ų | 131 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | 57 | 125.7 | 127.7 | -174.9 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 443 | R | 33.6 | Very low | 35.5 | Very low | 230 Ų | 230 | 135.4 Ų | 135.4 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | 68.4 | 160.7 | 159.2 | -86 | 178.6 | 161.7 | 99.1 | -6 | 117.5 | ||||
| 444 | S | 31.6 | Very low | 34.7 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | cis | -147.1 | -169.7 | 13.1 | -145.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 445 | R | 34.8 | Very low | 35.2 | Very low | 238 Ų | 238 | 137.9 Ų | 137.9 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | -98.4 | 149.6 | -175.3 | -64.8 | 172.5 | 170.4 | 157.2 | -6.8 | 115.2 | ||||
| 446 | S | 31.4 | Very low | 35 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | 166.4 | 165.7 | 141.7 | -81.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 447 | L | 32.5 | Very low | 35.2 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | cis | -179.7 | 120.9 | -43.4 | -111.4 | 175.3 | 0 | 0 | 0 | 108.4 | ||||
| 448 | S | 31.4 | Very low | 35.3 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -173.8 | 119.5 | 155.8 | -166.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 449 | F | 33 | Very low | 35.4 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | 56.2 | 124.2 | 69.4 | -91.9 | -100.5 | 0 | 0 | 0 | 113.3 | |||||
| 450 | S | 33.5 | Very low | 35.3 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | cis | -144.9 | 137.9 | 14.3 | -47.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 451 | E | 38.7 | Very low | 35.2 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | 81.7 | 158.1 | 92.1 | -134.3 | 114 | 72.7 | 0 | 0 | 113.4 | |||||
| 452 | P | 43.6 | Very low | 34.6 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | -136.7 | 177.1 | -120.4 | 36.6 | -12.8 | 0 | 0 | 0 | 117.2 | |||||
| 453 | Q | 31.1 | Very low | 34.6 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | -166.2 | 163.9 | 142.1 | -118 | 173.3 | -109.6 | 0 | 0 | 115.5 | ||||
| 454 | Q | 33.8 | Very low | 34.8 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | trans | -144.3 | 173.1 | 177.6 | -82.2 | -84.5 | -15.9 | 0 | 0 | 106.7 | ||||
| 455 | P | 46.5 | Very low | 34.9 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | cis | -132.6 | 164.6 | -18.8 | 36.2 | -19.7 | 0 | 0 | 0 | 115.1 | ||||
| 456 | A | 29.9 | Very low | 34.8 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | 60.7 | -179.4 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 457 | P | 43.2 | Very low | 35.1 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | cis | -128 | -164.9 | -19.3 | 23.6 | 1.1 | 0 | 0 | 0 | 113.8 | ||||
| 458 | V | 31.3 | Very low | 35.5 | Very low | 119 Ų | 119 | 137 Ų | 137 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | 69.3 | 131 | 152.6 | -79.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 459 | M | 35.8 | Very low | 35.9 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | 58.9 | 123.8 | 145.8 | -58.4 | -56.1 | 141.3 | 0 | 0 | 121.8 | ||||
| 460 | K | 33.3 | Very low | 36.5 | Very low | 216 Ų | 216 | 141.7 Ų | 141.7 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | trans | -133.6 | 131.9 | 155 | -75.7 | -173.5 | 176.1 | -179.5 | 0 | 109.7 | ||||
| 461 | S | 31.3 | Very low | 36.5 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -117.6 | 121.4 | -171 | 49.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 462 | H | 33.2 | Very low | 36.2 | Very low | 170 Ų | 170 | 143 Ų | 143 | 79% | 0.787 | 79% | 0.794 | S | S | * | * | trans | 64.6 | 161.3 | 147.5 | -70.9 | -95.8 | 0 | 0 | 0 | 121.7 | ||||
| 463 | L | 33.1 | Very low | 36.2 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | 68.7 | 93.6 | 170.6 | -45.6 | -171.9 | 0 | 0 | 0 | 114.9 | ||||
| 464 | I | 37.4 | Very low | 36.6 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | 64.4 | 85.5 | 65.7 | -51 | 162.9 | 0 | 0 | 0 | 113 | |||||
| 465 | V | 34.9 | Very low | 36.6 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | -147.3 | 120.5 | 121.7 | 176.2 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 466 | T | 32.4 | Very low | 36.5 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -126.1 | 112.9 | 171.7 | 15.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 467 | S | 37.8 | Very low | 37 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 155.3 | 164.1 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | P469 | S467-P469 VanDerWaalsContact O-CD 3.32Å; S467-P469 WeakPolarHBondContact O-CD 3.5Å |
| 468 | P | 40.8 | Very low | 36.8 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 120.9 | -176 | -13.1 | 29.5 | 0 | 0 | 0 | 112 | ||
| 469 | P | 38.7 | Very low | 37.5 | Very low | 121 Ų | 121 | 153.1 Ų | 153.1 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 129.2 | 171.6 | 29.9 | -33 | 0 | 0 | 0 | 110.7 | S467 A471 | S467-P469 VanDerWaalsContact O-CD 3.32Å; S467-P469 WeakPolarHBondContact O-CD 3.5Å; P469-A471 PolarHBondContact O-N 2.74Å |
| 470 | R | 45.5 | Very low | 38.1 | Very low | 245 Ų | 245 | 147.7 Ų | 147.7 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -68.3 | 90.9 | 178.1 | -173.5 | -179.6 | -173.9 | 174.6 | 2.1 | 110.8 | ||||
| 471 | A | 33.3 | Very low | 38.8 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -62.8 | 137.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P469 | P469-A471 PolarHBondContact O-N 2.74Š| ||
| 472 | Q | 33.3 | Very low | 40.1 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -85.8 | 141.8 | -172.2 | -63.3 | 174.7 | -0.1 | 0 | 0 | 112.6 | G474 | Q472-G474 PolarHBondContact O-N 2.99Å; Q472-G474 VanDerWaalsContact O-N 3.16Å | ||
| 473 | S | 42.8 | Very low | 41.7 | Very low | 132 Ų | 132 | 139 Ų | 139 | 92% | 0.923 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -73.7 | 95.8 | 169 | 51.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 474 | G | 41.3 | Very low | 44 | Very low | 74 Ų | 74 | 136.8 Ų | 136.8 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | trans | -158.2 | 15.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | Q472 | Q472-G474 PolarHBondContact O-N 2.99Å; Q472-G474 VanDerWaalsContact O-N 3.16Å | ||
| 475 | A | 33 | Very low | 46.2 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | trans | -137.2 | 125.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K477 | A475-K477 PolarHBondContact O-N 3.44Å; A475-K477 VanDerWaalsContact O-N 3.09Å | ||
| 476 | R | 44.3 | Very low | 48.6 | Very low | 253 Ų | 253 | 130.6 Ų | 130.6 | 96% | 0.955 | 71% | 0.709 | S | S | * | * | trans | -67.6 | 107.6 | 167.9 | -68.6 | -165.1 | -67.5 | -174.2 | -2.4 | 107.8 | A478 | R476-A478 PolarHBondContact O-N 2.78Å; R476-A478 VanDerWaalsContact O-N 3.12Å | ||
| 477 | K | 40.1 | Very low | 51.1 | Low | 202 Ų | 202 | 132.8 Ų | 132.8 | 88% | 0.878 | 71% | 0.707 | S | S | * | * | trans | -48.5 | 123.8 | 170.4 | -90.2 | -167.3 | 172.3 | -173.1 | 0 | 108.8 | A475 R479 | A475-K477 PolarHBondContact O-N 3.44Å; A475-K477 VanDerWaalsContact O-N 3.09Å; K477-R479 PolarHBondContact O-N 2.83Å | ||
| 478 | A | 39.6 | Very low | 53.3 | Low | 95 Ų | 95 | 131.4 Ų | 131.4 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | trans | -50.6 | 135.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108 | R476 G480 | R476-A478 PolarHBondContact O-N 2.78Å; R476-A478 VanDerWaalsContact O-N 3.12Å; A478-G480 PolarHBondContact O-N 2.84Å | ||
| 479 | R | 46.6 | Very low | 55.3 | Low | 252 Ų | 252 | 128.2 Ų | 128.2 | 95% | 0.951 | 67% | 0.666 | S | S | * | * | trans | -77.6 | 69.8 | -175.7 | -167.6 | -164.7 | -163.5 | -164.8 | 10.8 | 109.2 | K477 E481 | K477-R479 PolarHBondContact O-N 2.83Å; R479-E481 PolarHBondContact O-N 3.16Å | ||
| 480 | G | 48.2 | Very low | 57.5 | Low | 57 Ų | 57 | 124.1 Ų | 124.1 | 59% | 0.588 | 65% | 0.646 | S | S | * | * | trans | -47.4 | 137.2 | -169 | 0 | 0 | 0 | 0 | 0 | 112.2 | A478 A482 | A478-G480 PolarHBondContact O-N 2.84Å; G480-A482 PolarHBondContact O-N 3.31Å | ||
| 481 | E | 47.2 | Very low | 59.4 | Low | 175 Ų | 175 | 116.1 Ų | 116.1 | 82% | 0.818 | 62% | 0.621 | S | S | * | * | trans | -79.1 | 43.6 | -176 | -151.8 | -178 | 153.5 | 0 | 0 | 112.1 | R479 K483 | R479-E481 PolarHBondContact O-N 3.16Å; E481-K483 PolarHBondContact O-N 3.49Å | ||
| 482 | A | 58.9 | Low | 62 | Low | 18 Ų | 18 | 117.8 Ų | 117.8 | 15% | 0.149 | 61% | 0.611 | C | S | . | * | trans | -44.8 | 108.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | G480 K484 C507 F510 | G480-A482 PolarHBondContact O-N 3.31Å; A482-K484 WeakPolarHBondContact O-CG 3.3Å; A482-K484 PolarHBondContact O-N 3.31Å; A482-C507 HydrophobicContact CB-CB 4.49Å; A482-F510 WeakPolarHBondContact CB-O 3.27Å | ||
| 483 | K | 66.4 | Low | 64.5 | Low | 114 Ų | 114 | 113.5 Ų | 113.5 | 50% | 0.496 | 59% | 0.591 | S | S | . | * | trans | -56.4 | 112.3 | -177.1 | -70.3 | 155.3 | -175.6 | 141.7 | 0 | 108.7 | E481 V488 F510 D512 | E481-K483 PolarHBondContact O-N 3.49Å; K483-V488 HydrophobicContact CB-CG2 4.26Å; K483-F510 WeakPolarHBondContact O-CD2 3.12Å; K483-D512 IonicContact NZ-OD1 2.64Å; K483-D512 PolarHBondContact NZ-OD1 3Å; K483-D512 IonicContact NZ-OD2 3.5Å | ||
| 484 | K | 80.7 | Confident | 66.5 | Low | 101 Ų | 101 | 114.2 Ų | 114.2 | 44% | 0.439 | 57% | 0.574 | S | S | . | * | trans | -77.2 | 146.7 | -167.2 | -63.5 | 164.2 | -166.1 | 157.2 | 0 | 110.3 | A482 R486 K487 V488 K505 | A482-K484 WeakPolarHBondContact O-CG 3.3Å; A482-K484 PolarHBondContact O-N 3.31Å; K484-R486 PolarHBondContact O-N 3.34Å; K484-K487 WeakPolarHBondContact O-CA 3.47Å; K484-K487 PolarHBondContact O-N 2.69Å; K484-V488 PolarHBondContact O-N 3.09Å; K484-K505 WeakPolarHBondContact CE-O 3.47Å | ||
| 485 | C | 85.1 | Confident | 68.7 | Low | 0 Ų | 0 | 115.5 Ų | 115.5 | 0% | 0 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -51.2 | -38.1 | -179.3 | -63.1 | 0 | 0 | 0 | 0 | 113.1 | K487 V488 Y489 W497 C498 C501 | C485-K487 PolarHBondContact O-N 2.97Å; C485-V488 PolarHBondContact O-N 3.37Å; C485-Y489 HydrophobicContact CB-CD2 4.13Å; C485-Y489 WeakPolarHBondContact O-CB 3.1Å; C485-Y489 PolarHBondContact O-N 3.43Å; C485-W497 HydrophobicContact CB-CB 3.78Å; C485-W497 HydrophobicContact CB-CD2 4.25Å; C485-W497 HydrophobicContact CB-CG 3.58Å; C485-C498 PolarHBondContact SG-N 3.07Å; C485-C498 VanDerWaalsContact SG-SG 3.63Å; C485-C501 HydrophobicContact CB-CB 3.87Å |
| 486 | R | 85.8 | Confident | 71.2 | Confident | 160 Ų | 160 | 114.8 Ų | 114.8 | 60% | 0.604 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.9 | -22.8 | 175.3 | -171.5 | 169.9 | -168.6 | 164 | 5.9 | 115.2 | K484 G490 I491 W497 | K484-R486 PolarHBondContact O-N 3.34Å; R486-G490 CarbonylContact O-C 3.57Å; R486-G490 WeakPolarHBondContact O-CA 3.46Å; R486-I491 HydrophobicContact CG-CG2 3.9Å; R486-W497 HydrophobicContact CB-CH2 3.83Å; R486-W497 HydrophobicContact CB-CZ2 3.53Å; R486-W497 HydrophobicContact CB-CZ3 4.5Å; R486-W497 HydrophobicContact CG-CH2 3.76Å; R486-W497 HydrophobicContact CG-CZ2 3.55Å |
| 487 | K | 84.6 | Confident | 73.3 | Confident | 182 Ų | 182 | 103.9 Ų | 103.9 | 79% | 0.791 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -95.5 | -20.3 | 177.8 | -177.7 | 57.9 | 177.7 | 174.9 | 0 | 112.6 | K484 C485 | K484-K487 WeakPolarHBondContact O-CA 3.47Å; K484-K487 PolarHBondContact O-N 2.69Å; C485-K487 PolarHBondContact O-N 2.97Å |
| 488 | V | 82.6 | Confident | 75.5 | Confident | 71 Ų | 71 | 95.3 Ų | 95.3 | 43% | 0.43 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -93.5 | -43.4 | 177.5 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | K483 K484 C485 F510 | K483-V488 HydrophobicContact CB-CG2 4.26Å; K484-V488 PolarHBondContact O-N 3.09Å; C485-V488 PolarHBondContact O-N 3.37Å; V488-F510 HydrophobicContact CB-CE2 4.28Å; V488-F510 HydrophobicContact CB-CZ 4.28Å; V488-F510 HydrophobicContact CG1-CE2 4.4Å; V488-F510 HydrophobicContact CG1-CZ 3.91Å; V488-F510 HydrophobicContact CG2-CD2 4.42Å; V488-F510 HydrophobicContact CG2-CE2 3.94Å; V488-F510 HydrophobicContact CG2-CZ 4.08Å |
| 489 | Y | 83.8 | Confident | 77.6 | Confident | 60 Ų | 60 | 95.9 Ų | 95.9 | 24% | 0.235 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -110.4 | 9.3 | -173.6 | -57.7 | -68.3 | 0 | 0 | 0 | 113.4 | C485 H493 Q496 R509 F510 | C485-Y489 HydrophobicContact CB-CD2 4.13Å; C485-Y489 WeakPolarHBondContact O-CB 3.1Å; C485-Y489 PolarHBondContact O-N 3.43Å; Y489-H493 WeakPolarHBondContact O-CB 3.37Å; Y489-H493 PolarHBondContact O-CD2 2.9Å; Y489-Q496 HydrophobicContact CD1-CB 4.24Å; Y489-Q496 HydrophobicContact CD2-CB 4.41Å; Y489-Q496 HydrophobicContact CG-CB 4.13Å; Y489-R509 PolarHBondContact OH-NH2 2.96Å; Y489-F510 AromaticContact CE2-CE2 3.95Å; Y489-F510 HydrophobicContact CE2-CE2 3.95Å; Y489-F510 AromaticContact CE2-CZ 3.82Å; Y489-F510 HydrophobicContact CE2-CZ 3.82Å |
| 490 | G | 84.1 | Confident | 79.2 | Confident | 35 Ų | 35 | 85.1 Ų | 85.1 | 36% | 0.361 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -162.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | R486 W497 | R486-G490 CarbonylContact O-C 3.57Å; R486-G490 WeakPolarHBondContact O-CA 3.46Å; G490-W497 VanDerWaalsContact O-CZ2 3.27Å; G490-W497 WeakPolarHBondContact O-CZ2 3.34Å; G490-W497 PolarHBondContact O-NE1 3.44Å |
| 491 | I | 86.3 | Confident | 80.9 | Confident | 77 Ų | 77 | 83.1 Ų | 83.1 | 40% | 0.395 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -13 | 179.3 | 41.4 | 157.7 | 0 | 0 | 0 | 115.1 | R486 R494 W497 | R486-I491 HydrophobicContact CG-CG2 3.9Å; I491-R494 WeakPolarHBondContact O-CG 3.41Å; I491-R494 PolarHBondContact O-NE 3.48Å; I491-W497 HydrophobicContact CG2-CZ2 4.49Å |
| 492 | E | 86.7 | Confident | 82.4 | Confident | 133 Ų | 133 | 81.8 Ų | 81.8 | 62% | 0.621 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -45.3 | -177.6 | -54.3 | -42.3 | 112 | 0 | 0 | 111.3 | R494 | E492-R494 PolarHBondContact O-N 2.9Š|
| 493 | H | 85.9 | Confident | 83 | Confident | 99 Ų | 99 | 89.7 Ų | 89.7 | 46% | 0.458 | 42% | 0.417 | S | S | . | . | trans | -79.7 | 55 | 179.6 | -52 | -59.7 | 0 | 0 | 0 | 113.1 | Y489 D495 Q496 W497 | Y489-H493 WeakPolarHBondContact O-CB 3.37Å; Y489-H493 PolarHBondContact O-CD2 2.9Å; H493-D495 WeakPolarHBondContact CA-OD1 3.3Å; H493-D495 PolarHBondContact O-N 3.23Å; H493-Q496 HydrophobicContact CB-CB 4.39Å; H493-Q496 HydrophobicContact CB-CG 4.07Å; H493-Q496 PolarHBondContact O-N 2.87Å; H493-W497 PolarHBondContact O-NE1 2.82Å | ||
| 494 | R | 85.1 | Confident | 82.9 | Confident | 147 Ų | 147 | 90.6 Ų | 90.6 | 56% | 0.555 | 42% | 0.421 | S | S | * | . | trans | -67.3 | -22.3 | 177.7 | -53.2 | -174.9 | -168 | 174.4 | 9.1 | 112.5 | I491 E492 W497 R502 | I491-R494 WeakPolarHBondContact O-CG 3.41Å; I491-R494 PolarHBondContact O-NE 3.48Å; E492-R494 PolarHBondContact O-N 2.9Å; R494-W497 HydrophobicContact CG-CZ2 4.33Å; R494-W497 WeakPolarHBondContact O-CB 3.34Å; R494-W497 PolarHBondContact O-N 2.93Å; R494-R502 PolarHBondContact O-NE 3.45Å; R494-R502 VanDerWaalsContact O-NE 3.12Å; R494-R502 PolarHBondContact O-NH2 2.95Å | ||
| 495 | D | 88.4 | Confident | 82.1 | Confident | 100 Ų | 100 | 94.8 Ų | 94.8 | 54% | 0.535 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -57.2 | -47.2 | 168.8 | 63.6 | -52.7 | 0 | 0 | 0 | 110.9 | H493 W497 R502 | H493-D495 WeakPolarHBondContact CA-OD1 3.3Å; H493-D495 PolarHBondContact O-N 3.23Å; D495-W497 PolarHBondContact O-N 3.44Å; D495-R502 PolarHBondContact O-NH2 2.83Å |
| 496 | Q | 84.9 | Confident | 81.1 | Confident | 79 Ų | 79 | 97.5 Ų | 97.5 | 37% | 0.369 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -73.8 | -13.6 | -177.3 | -54.5 | -175.6 | 19.5 | 0 | 0 | 113.4 | Y489 H493 C498 R509 | Y489-Q496 HydrophobicContact CD1-CB 4.24Å; Y489-Q496 HydrophobicContact CD2-CB 4.41Å; Y489-Q496 HydrophobicContact CG-CB 4.13Å; H493-Q496 HydrophobicContact CB-CB 4.39Å; H493-Q496 HydrophobicContact CB-CG 4.07Å; H493-Q496 PolarHBondContact O-N 2.87Å; Q496-C498 PolarHBondContact O-N 3.39Å; Q496-R509 PolarHBondContact O-NH1 3.43Å |
| 497 | W | 89.1 | Confident | 80.6 | Confident | 25 Ų | 25 | 90.2 Ų | 90.2 | 10% | 0.095 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -68.3 | 129.4 | 176.7 | -65.8 | 16.4 | 0 | 0 | 0 | 111.3 | C485 R486 G490 I491 H493 R494 D495 C501 R502 | C485-W497 HydrophobicContact CB-CB 3.78Å; C485-W497 HydrophobicContact CB-CD2 4.25Å; C485-W497 HydrophobicContact CB-CG 3.58Å; R486-W497 HydrophobicContact CB-CH2 3.83Å; R486-W497 HydrophobicContact CB-CZ2 3.53Å; R486-W497 HydrophobicContact CB-CZ3 4.5Å; R486-W497 HydrophobicContact CG-CH2 3.76Å; R486-W497 HydrophobicContact CG-CZ2 3.55Å; G490-W497 VanDerWaalsContact O-CZ2 3.27Å; G490-W497 WeakPolarHBondContact O-CZ2 3.34Å; G490-W497 PolarHBondContact O-NE1 3.44Å; I491-W497 HydrophobicContact CG2-CZ2 4.49Å; H493-W497 PolarHBondContact O-NE1 2.82Å; R494-W497 HydrophobicContact CG-CZ2 4.33Å; R494-W497 WeakPolarHBondContact O-CB 3.34Å; R494-W497 PolarHBondContact O-N 2.93Å; D495-W497 PolarHBondContact O-N 3.44Å; W497-C501 HydrophobicContact CB-CB 4.47Å; W497-R502 HydrophobicContact CB-CG 3.97Å; W497-R502 HydrophobicContact CE3-CG 4.4Å; W497-R502 PolarHBondContact O-NE 3.37Å |
| 498 | C | 86.3 | Confident | 79.9 | Confident | 21 Ų | 21 | 88.4 Ų | 88.4 | 14% | 0.142 | 43% | 0.429 | C | S | . | . | trans | -57.5 | 150.2 | 170.5 | 73.2 | 0 | 0 | 0 | 0 | 111.1 | C485 Q496 A500 C501 R502 C507 R509 | C485-C498 PolarHBondContact SG-N 3.07Å; C485-C498 VanDerWaalsContact SG-SG 3.63Å; Q496-C498 PolarHBondContact O-N 3.39Å; C498-A500 VanDerWaalsContact C-N 3.31Å; C498-A500 PolarHBondContact O-N 2.71Å; C498-C501 PolarHBondContact O-N 3.26Å; C498-R502 PolarHBondContact O-N 2.9Å; C498-C507 VanDerWaalsContact SG-SG 3.63Å; C498-R509 HydrophobicContact CB-CB 4.32Å | ||
| 499 | T | 82.6 | Confident | 79.2 | Confident | 107 Ų | 107 | 91 Ų | 91 | 66% | 0.656 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -48.8 | -51.4 | -176 | 50.6 | 0 | 0 | 0 | 0 | 111.8 | C501 R502 W503 | T499-C501 PolarHBondContact O-N 2.95Å; T499-C501 VanDerWaalsContact O-N 3.16Å; T499-R502 WeakPolarHBondContact O-CB 3.33Å; T499-R502 PolarHBondContact O-N 3.49Å; T499-W503 PolarHBondContact O-NE1 2.73Å |
| 500 | A | 80.3 | Confident | 78.3 | Confident | 27 Ų | 27 | 90.8 Ų | 90.8 | 22% | 0.223 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -53.6 | -35.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | C498 K504 A506 | C498-A500 VanDerWaalsContact C-N 3.31Å; C498-A500 PolarHBondContact O-N 2.71Å; A500-K504 CarbonylContact O-C 3.56Å; A500-K504 WeakPolarHBondContact O-CA 3.39Å; A500-K504 WeakPolarHBondContact O-CB 3.17Å; A500-K504 PolarHBondContact O-N 3.03Å; A500-A506 CarbonylContact C-O 3.45Å |
| 501 | C | 84.3 | Confident | 77.2 | Confident | 15 Ų | 15 | 95.9 Ų | 95.9 | 10% | 0.101 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -78.8 | -16.5 | 177.3 | -83.7 | 0 | 0 | 0 | 0 | 114.5 | C485 W497 C498 T499 A506 C507 | C485-C501 HydrophobicContact CB-CB 3.87Å; W497-C501 HydrophobicContact CB-CB 4.47Å; C498-C501 PolarHBondContact O-N 3.26Å; T499-C501 PolarHBondContact O-N 2.95Å; T499-C501 VanDerWaalsContact O-N 3.16Å; C501-A506 PolarHBondContact SG-O 3.21Å; C501-C507 VanDerWaalsContact SG-CA 3.58Å; C501-C507 WeakPolarHBondContact SG-CB 3.48Å; C501-C507 VanDerWaalsContact SG-SG 3.69Å |
| 502 | R | 78 | Confident | 75.7 | Confident | 147 Ų | 147 | 100.4 Ų | 100.4 | 56% | 0.555 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -74.1 | -26.8 | 176.1 | -63.7 | -173.4 | -176.4 | -162.2 | 6.1 | 112.6 | R494 D495 W497 C498 T499 | R494-R502 PolarHBondContact O-NE 3.45Å; R494-R502 VanDerWaalsContact O-NE 3.12Å; R494-R502 PolarHBondContact O-NH2 2.95Å; D495-R502 PolarHBondContact O-NH2 2.83Å; W497-R502 HydrophobicContact CB-CG 3.97Å; W497-R502 HydrophobicContact CE3-CG 4.4Å; W497-R502 PolarHBondContact O-NE 3.37Å; C498-R502 PolarHBondContact O-N 2.9Å; T499-R502 WeakPolarHBondContact O-CB 3.33Å; T499-R502 PolarHBondContact O-N 3.49Å |
| 503 | W | 71.6 | Confident | 75.2 | Confident | 183 Ų | 183 | 98.8 Ų | 98.8 | 69% | 0.693 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -130.5 | -11.7 | -176.9 | 46.9 | -75.4 | 0 | 0 | 0 | 115.8 | T499 | T499-W503 PolarHBondContact O-NE1 2.73Å |
| 504 | K | 65.2 | Low | 74.6 | Confident | 133 Ų | 133 | 98.8 Ų | 98.8 | 58% | 0.578 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -133.8 | 161.8 | 175.8 | -70 | -178 | 176.3 | 177.5 | 0 | 111.6 | A500 A506 | A500-K504 CarbonylContact O-C 3.56Å; A500-K504 WeakPolarHBondContact O-CA 3.39Å; A500-K504 WeakPolarHBondContact O-CB 3.17Å; A500-K504 PolarHBondContact O-N 3.03Å; K504-A506 PolarHBondContact O-N 3.47Å |
| 505 | K | 64 | Low | 74 | Confident | 189 Ų | 189 | 96.1 Ų | 96.1 | 82% | 0.822 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -82.8 | 17.1 | -179.1 | -75.9 | -173 | 177 | 178.6 | 0 | 114.5 | K484 | K484-K505 WeakPolarHBondContact CE-O 3.47Š|
| 506 | A | 63 | Low | 73.2 | Confident | 57 Ų | 57 | 95.9 Ų | 95.9 | 47% | 0.471 | 46% | 0.459 | S | S | . | . | trans | -110.7 | 137.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A500 C501 K504 | A500-A506 CarbonylContact C-O 3.45Å; C501-A506 PolarHBondContact SG-O 3.21Å; K504-A506 PolarHBondContact O-N 3.47Å | ||
| 507 | C | 76.9 | Confident | 72.4 | Confident | 7 Ų | 7 | 96.9 Ų | 96.9 | 5% | 0.047 | 47% | 0.465 | C | S | . | . | trans | -108.3 | 133.5 | 169.5 | -162.9 | 0 | 0 | 0 | 0 | 109.5 | A482 C498 C501 | A482-C507 HydrophobicContact CB-CB 4.49Å; C498-C507 VanDerWaalsContact SG-SG 3.63Å; C501-C507 VanDerWaalsContact SG-CA 3.58Å; C501-C507 WeakPolarHBondContact SG-CB 3.48Å; C501-C507 VanDerWaalsContact SG-SG 3.69Å | ||
| 508 | Q | 69.7 | Low | 71.3 | Confident | 144 Ų | 144 | 101.7 Ų | 101.7 | 67% | 0.673 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -101.4 | -9.5 | 174.9 | -158.6 | 61.7 | 42.1 | 0 | 0 | 112.2 | ||
| 509 | R | 68.1 | Low | 70.3 | Confident | 126 Ų | 126 | 107.5 Ų | 107.5 | 48% | 0.475 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -93.8 | -13.3 | -174.9 | -133.3 | 176.6 | 77.3 | -158.2 | 2.4 | 114.1 | Y489 Q496 C498 | Y489-R509 PolarHBondContact OH-NH2 2.96Å; Q496-R509 PolarHBondContact O-NH1 3.43Å; C498-R509 HydrophobicContact CB-CB 4.32Å |
| 510 | F | 64.5 | Low | 69.3 | Low | 56 Ų | 56 | 107.5 Ų | 107.5 | 25% | 0.246 | 50% | 0.504 | C | S | . | . | trans | -124.4 | 96.5 | 171.4 | -59.1 | -73.5 | 0 | 0 | 0 | 107.1 | A482 K483 V488 Y489 | A482-F510 WeakPolarHBondContact CB-O 3.27Å; K483-F510 WeakPolarHBondContact O-CD2 3.12Å; V488-F510 HydrophobicContact CB-CE2 4.28Å; V488-F510 HydrophobicContact CB-CZ 4.28Å; V488-F510 HydrophobicContact CG1-CE2 4.4Å; V488-F510 HydrophobicContact CG1-CZ 3.91Å; V488-F510 HydrophobicContact CG2-CD2 4.42Å; V488-F510 HydrophobicContact CG2-CE2 3.94Å; V488-F510 HydrophobicContact CG2-CZ 4.08Å; Y489-F510 AromaticContact CE2-CE2 3.95Å; Y489-F510 HydrophobicContact CE2-CE2 3.95Å; Y489-F510 AromaticContact CE2-CZ 3.82Å; Y489-F510 HydrophobicContact CE2-CZ 3.82Å | ||
| 511 | L | 59.4 | Low | 68.4 | Low | 141 Ų | 141 | 114.3 Ų | 114.3 | 74% | 0.738 | 53% | 0.527 | S | S | * | . | trans | -84.6 | 141.5 | 155.8 | -58.8 | 178.5 | 0 | 0 | 0 | 106.5 | ||||
| 512 | D | 56.4 | Low | 67 | Low | 173 Ų | 173 | 123.3 Ų | 123.3 | 93% | 0.925 | 57% | 0.566 | S | S | * | * | trans | -104 | 0 | 169.6 | -136.8 | 58.9 | 0 | 0 | 0 | 106.6 | K483 | K483-D512 IonicContact NZ-OD1 2.64Å; K483-D512 PolarHBondContact NZ-OD1 3Å; K483-D512 IonicContact NZ-OD2 3.5Å |
Retrieved 512 of 512 residues in 152.5 ms
(Link to these results)