| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.7 | Very low | 35.6 | Very low | 233 Ų | 233 | 169.8 Ų | 169.8 | 100% | 1.148 | 84% | 0.837 | S | S | * | * | 0 | 146.2 | 0 | -71.6 | -60.3 | -176.5 | 0 | 0 | 107.7 | |||||
| 2 | P | 50.7 | Low | 34.9 | Very low | 114 Ų | 114 | 168.6 Ų | 168.6 | 74% | 0.74 | 84% | 0.835 | S | S | * | * | cis | -98.7 | -172.5 | -3.2 | 41 | -32.7 | 0 | 0 | 0 | 110.7 | ||||
| 3 | R | 31.7 | Very low | 34.4 | Very low | 237 Ų | 237 | 169.6 Ų | 169.6 | 89% | 0.894 | 83% | 0.832 | S | S | * | * | cis | -149.9 | 153.8 | -2.4 | -137 | 159.7 | -162.8 | -121.1 | 5.4 | 109.6 | ||||
| 4 | R | 34.6 | Very low | 34.1 | Very low | 216 Ų | 216 | 167.5 Ų | 167.5 | 82% | 0.815 | 83% | 0.833 | S | S | * | * | trans | -57.9 | 152.4 | 173.8 | -79.4 | 169.2 | 155.6 | -178.7 | -7.8 | 113.5 | ||||
| 5 | K | 33 | Very low | 33.5 | Very low | 213 Ų | 213 | 161 Ų | 161 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | -153.2 | 138.6 | 120.2 | -103.9 | 172.7 | -175 | -175.7 | 0 | 110.1 | |||||
| 6 | Q | 37.2 | Very low | 33.1 | Very low | 172 Ų | 172 | 156.6 Ų | 156.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -111.7 | 144.6 | 174.2 | -72 | 171.4 | -38.4 | 0 | 0 | 108.4 | ||||
| 7 | S | 30.6 | Very low | 32.7 | Very low | 123 Ų | 123 | 157.7 Ų | 157.7 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -160.3 | 119.5 | 155.5 | 43.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 8 | H | 31.9 | Very low | 32.2 | Very low | 171 Ų | 171 | 153.8 Ų | 153.8 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -101.1 | 155.6 | 158.1 | -112.8 | -35.2 | 0 | 0 | 0 | 106.7 | ||||
| 9 | P | 36.7 | Very low | 31.9 | Very low | 124 Ų | 124 | 151.1 Ų | 151.1 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | -146 | 178.9 | 70.9 | 35.5 | -14.2 | 0 | 0 | 0 | 116.4 | |||||
| 10 | Q | 31.2 | Very low | 31.6 | Very low | 162 Ų | 162 | 148.3 Ų | 148.3 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | trans | -86.5 | -178.3 | 168 | -75.9 | -140.8 | 7.7 | 0 | 0 | 110.5 | ||||
| 11 | P | 40.1 | Very low | 31.8 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | cis | -150.6 | -159.3 | 24.7 | 37.9 | -11.2 | 0 | 0 | 0 | 117.9 | ||||
| 12 | L | 28 | Very low | 31.5 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | 85.9 | 151.3 | 167 | -56.5 | 163.8 | 0 | 0 | 0 | 116.5 | ||||
| 13 | K | 28.3 | Very low | 30.4 | Very low | 182 Ų | 182 | 142.8 Ų | 142.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | cis | 170.8 | 167.1 | -29.9 | -131.7 | -173 | -177.1 | -176.4 | 0 | 105.6 | ||||
| 14 | V | 29.6 | Very low | 30.7 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | 75.1 | 131.2 | 178.3 | -165 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 15 | G | 25 | Very low | 30.2 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | cis | 95.7 | 145.4 | 50 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 16 | S | 26.9 | Very low | 29.8 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | cis | -160.7 | 177.6 | 5.3 | 41.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 17 | E | 26.1 | Very low | 29.3 | Very low | 176 Ų | 176 | 122.7 Ų | 122.7 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 65.4 | 161.3 | 157 | -71.6 | 153.7 | 117.1 | 0 | 0 | 118.4 | ||||
| 18 | A | 25.1 | Very low | 29 | Very low | 87 Ų | 87 | 122.7 Ų | 122.7 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | cis | -164 | 176.4 | -25.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 19 | A | 24.8 | Very low | 28.8 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | 72 | 123 | 156.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 20 | A | 27.1 | Very low | 28.3 | Very low | 94 Ų | 94 | 124.3 Ų | 124.3 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -76.2 | 174.8 | 153 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 21 | P | 36.3 | Very low | 28.1 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | -153.1 | -172.3 | 57.8 | 39.4 | -16.1 | 0 | 0 | 0 | 117.5 | |||||
| 22 | S | 26 | Very low | 27.4 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 72.5 | 116.6 | 151.6 | 45.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 23 | D | 27.2 | Very low | 27.3 | Very low | 156 Ų | 156 | 125.7 Ų | 125.7 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -50.5 | 168.9 | 150.6 | -66 | -65.2 | 0 | 0 | 0 | 113.4 | ||||
| 24 | P | 38.8 | Very low | 27.1 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | cis | -149.6 | -174.2 | 29.6 | 42.4 | -20.3 | 0 | 0 | 0 | 119.6 | ||||
| 25 | S | 24 | Very low | 27 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 76.4 | 111.5 | 150.5 | 55.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 26 | G | 24.2 | Very low | 27.1 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | 110.3 | 88.5 | 121.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 27 | S | 26.5 | Very low | 27 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 166.7 | 114.6 | 111.4 | 49.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 28 | V | 25 | Very low | 27 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | 24.2 | 113.6 | 135.5 | -162.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 29 | L | 28.3 | Very low | 27.1 | Very low | 162 Ų | 162 | 126 Ų | 126 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | -169.2 | 138.1 | 106.5 | -98.8 | 175.2 | 0 | 0 | 0 | 112.2 | |||||
| 30 | E | 24.8 | Very low | 27.2 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -76.1 | 152.8 | -171.8 | -60.5 | 156.6 | 103.6 | 0 | 0 | 112.6 | ||||
| 31 | S | 28.9 | Very low | 27.1 | Very low | 123 Ų | 123 | 129 Ų | 129 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | -159.9 | 111 | 90.3 | 15.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 32 | D | 25 | Very low | 26.6 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -97.9 | -161.9 | 173.1 | -114.9 | -42.7 | 0 | 0 | 0 | 111.5 | ||||
| 33 | F | 24.7 | Very low | 26.9 | Very low | 190 Ų | 190 | 129.4 Ų | 129.4 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | trans | 89.8 | 106.8 | 179.3 | -66.9 | -85.6 | 0 | 0 | 0 | 114.6 | ||||
| 34 | L | 25.2 | Very low | 26.8 | Very low | 131 Ų | 131 | 125 Ų | 125 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | cis | 58.1 | 133.9 | 19.5 | -84 | 173.8 | 0 | 0 | 0 | 110.9 | ||||
| 35 | L | 28.1 | Very low | 26.2 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | cis | -146.9 | 178.1 | 25.1 | -92.3 | 162.3 | 0 | 0 | 0 | 112.2 | ||||
| 36 | D | 25.1 | Very low | 26.3 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -48.1 | -175.8 | 160.9 | -53.3 | -83.8 | 0 | 0 | 0 | 117.8 | ||||
| 37 | G | 25 | Very low | 26.4 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | 125.6 | 120.4 | 142.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 38 | D | 26.8 | Very low | 26.3 | Very low | 175 Ų | 175 | 133.3 Ų | 133.3 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | trans | -62.4 | 172.4 | 172.7 | -49.7 | -83.1 | 0 | 0 | 0 | 115.8 | ||||
| 39 | G | 26.6 | Very low | 26.2 | Very low | 80 Ų | 80 | 130.6 Ų | 130.6 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | 150.6 | 124.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 40 | D | 27.6 | Very low | 26 | Very low | 181 Ų | 181 | 132 Ų | 132 | 97% | 0.968 | 81% | 0.811 | S | S | * | * | trans | -52.6 | 164.8 | 178.8 | -96.1 | -57.3 | 0 | 0 | 0 | 119.4 | ||||
| 41 | G | 26.1 | Very low | 26 | Very low | 79 Ų | 79 | 132.4 Ų | 132.4 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | 178.7 | 100.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 42 | G | 25.1 | Very low | 25.8 | Very low | 76 Ų | 76 | 129.8 Ų | 129.8 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -108.4 | 157 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 43 | T | 32.2 | Very low | 25.7 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 96% | 0.957 | 81% | 0.81 | S | S | * | * | trans | -143.7 | 152.5 | 160.7 | 53.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 44 | G | 24.5 | Very low | 25.8 | Very low | 64 Ų | 64 | 132.5 Ų | 132.5 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | trans | -149.9 | -169.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 45 | W | 26.3 | Very low | 25.7 | Very low | 234 Ų | 234 | 130.4 Ų | 130.4 | 89% | 0.886 | 81% | 0.808 | S | S | * | * | trans | 62.8 | 110.8 | 167.7 | -62 | 79.9 | 0 | 0 | 0 | 118.9 | V47 | W45-V47 HydrophobicContact CE3-CG2 3.9Å; W45-V47 HydrophobicContact CZ3-CG2 4.1Å | ||
| 46 | T | 25.6 | Very low | 25.6 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | -139.7 | 148.3 | 123.8 | 44.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 47 | V | 27.2 | Very low | 25.5 | Very low | 127 Ų | 127 | 127 Ų | 127 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -110.7 | 146.5 | -175.1 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | W45 | W45-V47 HydrophobicContact CE3-CG2 3.9Å; W45-V47 HydrophobicContact CZ3-CG2 4.1Å | ||
| 48 | G | 24.5 | Very low | 25.6 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | 179.8 | 102.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 49 | G | 23.5 | Very low | 26.1 | Very low | 65 Ų | 65 | 129.4 Ų | 129.4 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | trans | -125.4 | 161.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 50 | F | 23.3 | Very low | 26 | Very low | 192 Ų | 192 | 130.4 Ų | 130.4 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | trans | -158.5 | 164.5 | 158.1 | -113.8 | -76.2 | 0 | 0 | 0 | 111.4 | ||||
| 51 | H | 25.1 | Very low | 25.8 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | trans | -58.8 | 169 | -174.4 | -50.5 | -37.2 | 0 | 0 | 0 | 115.2 | ||||
| 52 | G | 23.5 | Very low | 25.8 | Very low | 69 Ų | 69 | 130.4 Ų | 130.4 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | cis | 158.2 | 165.1 | -5.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 53 | D | 22.8 | Very low | 25.6 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | 57.8 | 150.7 | 153.9 | -83.4 | -23.3 | 0 | 0 | 0 | 125.5 | ||||
| 54 | R | 26.9 | Very low | 25.3 | Very low | 229 Ų | 229 | 132.8 Ų | 132.8 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | 73 | 157.4 | 160 | -69.9 | 157.9 | -174.5 | -103.4 | 2 | 119.4 | ||||
| 55 | S | 24.3 | Very low | 25.2 | Very low | 87 Ų | 87 | 138.1 Ų | 138.1 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | cis | -175.4 | 148.7 | -45.4 | 49.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 56 | S | 25.6 | Very low | 25.6 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 65.1 | 141.4 | 148.5 | 57.1 | 0 | 0 | 0 | 0 | 124 | ||||
| 57 | S | 23.8 | Very low | 25.5 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 91.9 | 132.7 | 139 | 40.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 58 | L | 26 | Very low | 25.5 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -69.4 | -174.9 | 168.1 | -71.2 | 158.5 | 0 | 0 | 0 | 111.9 | ||||
| 59 | P | 37.1 | Very low | 25.7 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | cis | -146.3 | -150 | 22.6 | 43.9 | -19.9 | 0 | 0 | 0 | 117.1 | ||||
| 60 | A | 24.3 | Very low | 25.6 | Very low | 102 Ų | 102 | 132 Ų | 132 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -113.2 | 163.1 | -155.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 61 | A | 25.1 | Very low | 25.7 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -169.1 | 158.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 62 | L | 24.8 | Very low | 25.7 | Very low | 165 Ų | 165 | 125 Ų | 125 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | cis | -154.9 | -170 | -13.6 | -122.1 | 172.6 | 0 | 0 | 0 | 109.4 | ||||
| 63 | C | 22.3 | Very low | 25.8 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 72% | 0.723 | 81% | 0.811 | S | S | * | * | trans | -96.7 | 160.5 | -172.3 | -48.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 64 | L | 24.5 | Very low | 25.9 | Very low | 176 Ų | 176 | 125.6 Ų | 125.6 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | -175.5 | 133.5 | 127 | -108.2 | 131 | 0 | 0 | 0 | 112.9 | |||||
| 65 | E | 23.4 | Very low | 25.9 | Very low | 176 Ų | 176 | 120.1 Ų | 120.1 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -107.3 | 165.6 | 161.5 | -103.9 | -156.6 | 160.1 | 0 | 0 | 107.9 | ||||
| 66 | P | 34 | Very low | 26 | Very low | 117 Ų | 117 | 119.9 Ų | 119.9 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | cis | -152.6 | -164.3 | 42.8 | 43.3 | -20.9 | 0 | 0 | 0 | 117.4 | ||||
| 67 | A | 24.2 | Very low | 26 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | 96.2 | 111.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 68 | A | 26.2 | Very low | 26.1 | Very low | 96 Ų | 96 | 125 Ų | 125 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -86.4 | 160.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 69 | P | 28.4 | Very low | 26 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | -149.1 | 171.8 | 91 | 39.3 | -22.7 | 0 | 0 | 0 | 117 | |||||
| 70 | A | 22.8 | Very low | 25.4 | Very low | 93 Ų | 93 | 120.9 Ų | 120.9 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 66.5 | 93.2 | 151 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 71 | A | 25.6 | Very low | 25.8 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | 39.5 | 96.5 | 127.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 72 | S | 25.3 | Very low | 26.1 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -146.9 | 142.8 | 133.2 | 60 | 0 | 0 | 0 | 0 | 110.2 | V74 | S72-V74 PolarHBondContact O-N 2.8Š| ||
| 73 | A | 24.8 | Very low | 26.3 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -81.4 | 100.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 74 | V | 25.5 | Very low | 26.7 | Very low | 127 Ų | 127 | 120.4 Ų | 120.4 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 128.7 | 161.7 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | S72 A76 | S72-V74 PolarHBondContact O-N 2.8Å; V74-A76 PolarHBondContact O-N 3.35Å |
| 75 | P | 26.3 | Very low | 26.8 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 121.5 | 178.6 | 27.4 | -33.1 | 0 | 0 | 0 | 110.3 | L77 | P75-L77 PolarHBondContact O-N 3.15Š|
| 76 | A | 25.6 | Very low | 26.8 | Very low | 83 Ų | 83 | 116.3 Ų | 116.3 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62 | 122.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V74 L78 | V74-A76 PolarHBondContact O-N 3.35Å; A76-L78 HydrophobicContact CB-CD1 4.33Å; A76-L78 PolarHBondContact O-N 2.99Å |
| 77 | L | 26.9 | Very low | 26.7 | Very low | 166 Ų | 166 | 117.8 Ų | 117.8 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -65.3 | 92.8 | 167.8 | -77.5 | 157.9 | 0 | 0 | 0 | 109.5 | P75 C79 | P75-L77 PolarHBondContact O-N 3.15Å; L77-C79 VanDerWaalsContact C-N 3.34Å; L77-C79 PolarHBondContact O-N 3.23Å | ||
| 78 | L | 26 | Very low | 26.8 | Very low | 162 Ų | 162 | 116.5 Ų | 116.5 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -71.5 | 94.5 | 163.5 | -92.3 | 79.6 | 0 | 0 | 0 | 109 | A76 C80 | A76-L78 HydrophobicContact CB-CD1 4.33Å; A76-L78 PolarHBondContact O-N 2.99Å; L78-C80 PolarHBondContact O-N 3.19Å; L78-C80 VanDerWaalsContact O-N 3.14Å | ||
| 79 | C | 23.5 | Very low | 27.3 | Very low | 113 Ų | 113 | 119.4 Ų | 119.4 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | -61.4 | 110.5 | 168.5 | -70.8 | 0 | 0 | 0 | 0 | 110.2 | L77 Q81 | L77-C79 VanDerWaalsContact C-N 3.34Å; L77-C79 PolarHBondContact O-N 3.23Å; C79-Q81 PolarHBondContact O-N 3.14Å | ||
| 80 | C | 24.3 | Very low | 27.5 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | trans | -75.3 | 105.9 | 165 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | L78 G82 C83 | L78-C80 PolarHBondContact O-N 3.19Å; L78-C80 VanDerWaalsContact O-N 3.14Å; C80-G82 VanDerWaalsContact C-N 3.31Å; C80-G82 PolarHBondContact O-N 3.36Å; C80-C83 PolarHBondContact O-N 2.67Å | ||
| 81 | Q | 31.8 | Very low | 28 | Very low | 204 Ų | 204 | 125.1 Ų | 125.1 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 92.2 | 169.7 | -85.4 | 173.6 | -45.8 | 0 | 0 | 109.5 | C79 | C79-Q81 PolarHBondContact O-N 3.14Š|
| 82 | G | 32.3 | Very low | 28.4 | Very low | 72 Ų | 72 | 124.5 Ų | 124.5 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.6 | -26.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | C80 | C80-G82 VanDerWaalsContact C-N 3.31Å; C80-G82 PolarHBondContact O-N 3.36Å |
| 83 | C | 28.5 | Very low | 28.9 | Very low | 95 Ų | 95 | 124.1 Ų | 124.1 | 64% | 0.642 | 77% | 0.772 | S | S | * | * | trans | -136.8 | 94.8 | -172.4 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | C80 L85 | C80-C83 PolarHBondContact O-N 2.67Å; C83-L85 PolarHBondContact O-N 3.07Å | ||
| 84 | G | 31.2 | Very low | 29.3 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | trans | -78.6 | 72.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 85 | L | 26 | Very low | 29.6 | Very low | 144 Ų | 144 | 122.6 Ų | 122.6 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | -131.4 | 104.9 | 175.6 | -80.9 | 166.8 | 0 | 0 | 0 | 111.2 | C83 L87 | C83-L85 PolarHBondContact O-N 3.07Å; L85-L87 HydrophobicContact CB-CD1 4.35Å | ||
| 86 | S | 24.6 | Very low | 30 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | trans | -89.6 | 126.6 | 161.3 | 59.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 87 | L | 30.3 | Very low | 30.4 | Very low | 147 Ų | 147 | 123.7 Ų | 123.7 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | -104.1 | 102.4 | 172.9 | -92.4 | 83.5 | 0 | 0 | 0 | 110.3 | L85 N89 | L85-L87 HydrophobicContact CB-CD1 4.35Å; L87-N89 PolarHBondContact O-N 3.33Å | ||
| 88 | G | 26.6 | Very low | 30.7 | Very low | 73 Ų | 73 | 121.4 Ų | 121.4 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | trans | -73.5 | 116.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 89 | N | 37.3 | Very low | 30.8 | Very low | 156 Ų | 156 | 117.5 Ų | 117.5 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 32.4 | 84 | 158.1 | -65.4 | -8.8 | 0 | 0 | 0 | 118.3 | L87 | L87-N89 PolarHBondContact O-N 3.33Š|
| 90 | K | 31.5 | Very low | 31.3 | Very low | 190 Ų | 190 | 116.3 Ų | 116.3 | 83% | 0.826 | 69% | 0.689 | S | S | * | * | trans | -169.1 | 92 | 143.9 | -104.4 | 152.5 | -170.1 | 174.9 | 0 | 110.9 | T92 | K90-T92 PolarHBondContact O-N 3.1Š| ||
| 91 | I | 33.3 | Very low | 31.8 | Very low | 145 Ų | 145 | 114.1 Ų | 114.1 | 74% | 0.744 | 68% | 0.683 | S | S | * | * | trans | -79.6 | 107.8 | 177.7 | -59.5 | 171.2 | 0 | 0 | 0 | 108.8 | L96 | I91-L96 HydrophobicContact CG2-CG 4.26Š| ||
| 92 | T | 34.7 | Very low | 31.9 | Very low | 94 Ų | 94 | 110.8 Ų | 110.8 | 58% | 0.577 | 67% | 0.671 | S | S | * | * | trans | -93.4 | 155.3 | 164.5 | 56 | 0 | 0 | 0 | 0 | 109.7 | K90 Y94 G95 | K90-T92 PolarHBondContact O-N 3.1Å; T92-Y94 PolarHBondContact O-N 3.02Å; T92-G95 PolarHBondContact O-N 3.43Å | ||
| 93 | V | 36.3 | Very low | 31.9 | Very low | 106 Ų | 106 | 111.6 Ų | 111.6 | 64% | 0.642 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -49.2 | -30.9 | -172.7 | 178.1 | 0 | 0 | 0 | 0 | 114.3 | G95 L96 I97 | V93-G95 VanDerWaalsContact C-N 3.27Å; V93-G95 PolarHBondContact O-N 3.4Å; V93-L96 PolarHBondContact O-N 3.44Å; V93-I97 PolarHBondContact O-N 3.08Å |
| 94 | Y | 33.1 | Very low | 32.2 | Very low | 174 Ų | 174 | 112.7 Ų | 112.7 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -61.1 | -30.3 | 174.8 | -69.5 | -81.2 | 0 | 0 | 0 | 114.2 | T92 L98 | T92-Y94 PolarHBondContact O-N 3.02Å; Y94-L98 PolarHBondContact O-N 3.36Å; Y94-L98 VanDerWaalsContact O-N 3.15Å |
| 95 | G | 31.3 | Very low | 32.6 | Very low | 30 Ų | 30 | 111.9 Ų | 111.9 | 31% | 0.309 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -69.1 | -35.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T92 V93 L98 C99 | T92-G95 PolarHBondContact O-N 3.43Å; V93-G95 VanDerWaalsContact C-N 3.27Å; V93-G95 PolarHBondContact O-N 3.4Å; G95-L98 PolarHBondContact O-N 2.89Å; G95-C99 WeakPolarHBondContact O-CB 3.48Å; G95-C99 PolarHBondContact O-N 3.12Å; G95-C99 PolarHBondContact O-SG 2.84Å; G95-C99 VanDerWaalsContact O-SG 3.33Å |
| 96 | L | 34.2 | Very low | 32.9 | Very low | 105 Ų | 105 | 108.8 Ų | 108.8 | 55% | 0.55 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -68.2 | -38.1 | 175.9 | -72.4 | 169.3 | 0 | 0 | 0 | 111.6 | I91 V93 L98 C99 V100 | I91-L96 HydrophobicContact CG2-CG 4.26Å; V93-L96 PolarHBondContact O-N 3.44Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-C99 PolarHBondContact O-N 2.89Å; L96-V100 WeakPolarHBondContact O-CB 3.37Å; L96-V100 VanDerWaalsContact O-CG2 3.27Å; L96-V100 WeakPolarHBondContact O-CG2 3.36Å; L96-V100 PolarHBondContact O-N 3.13Å |
| 97 | I | 34.5 | Very low | 33.3 | Very low | 114 Ų | 114 | 106 Ų | 106 | 59% | 0.585 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.7 | -41.7 | 174.9 | -61.6 | 171.2 | 0 | 0 | 0 | 110.6 | V93 G101 | V93-I97 PolarHBondContact O-N 3.08Å; I97-G101 PolarHBondContact O-N 3.14Å |
| 98 | L | 32.3 | Very low | 33.1 | Very low | 118 Ų | 118 | 107.4 Ų | 107.4 | 62% | 0.618 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.3 | -40.2 | 177.7 | -154.9 | 76.7 | 0 | 0 | 0 | 112.2 | Y94 G95 L96 G101 L102 | Y94-L98 PolarHBondContact O-N 3.36Å; Y94-L98 VanDerWaalsContact O-N 3.15Å; G95-L98 PolarHBondContact O-N 2.89Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L98-G101 CarbonylContact O-C 3.48Å; L98-G101 PolarHBondContact O-N 2.79Å; L98-L102 HydrophobicContact CG-CD1 4.29Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 WeakPolarHBondContact O-CG 3.28Å; L98-L102 PolarHBondContact O-N 2.8Å |
| 99 | C | 28.9 | Very low | 33.1 | Very low | 80 Ų | 80 | 112.9 Ų | 112.9 | 54% | 0.541 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -70 | -38.6 | 177.1 | -71.5 | 0 | 0 | 0 | 0 | 112.7 | G95 L96 G101 L102 A103 | G95-C99 WeakPolarHBondContact O-CB 3.48Å; G95-C99 PolarHBondContact O-N 3.12Å; G95-C99 PolarHBondContact O-SG 2.84Å; G95-C99 VanDerWaalsContact O-SG 3.33Å; L96-C99 PolarHBondContact O-N 2.89Å; C99-G101 VanDerWaalsContact C-N 3.3Å; C99-G101 PolarHBondContact O-N 3.19Å; C99-L102 PolarHBondContact O-N 3.04Å; C99-A103 VanDerWaalsContact O-CB 3.27Å; C99-A103 WeakPolarHBondContact O-CB 3.46Å; C99-A103 PolarHBondContact O-N 3.37Å |
| 100 | V | 34.4 | Very low | 32.5 | Very low | 87 Ų | 87 | 109.5 Ų | 109.5 | 53% | 0.527 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.6 | -37.5 | 172.8 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | L96 L102 L104 | L96-V100 WeakPolarHBondContact O-CB 3.37Å; L96-V100 VanDerWaalsContact O-CG2 3.27Å; L96-V100 WeakPolarHBondContact O-CG2 3.36Å; L96-V100 PolarHBondContact O-N 3.13Å; V100-L102 VanDerWaalsContact C-N 3.29Å; V100-L102 PolarHBondContact O-N 3.06Å; V100-L104 HydrophobicContact CG1-CD1 3.95Å; V100-L104 VanDerWaalsContact O-CB 3.29Å; V100-L104 WeakPolarHBondContact O-CB 3.5Å; V100-L104 PolarHBondContact O-N 3.42Å |
| 101 | G | 34.8 | Very low | 32.3 | Very low | 52 Ų | 52 | 108.7 Ų | 108.7 | 54% | 0.536 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -73.8 | -9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | I97 L98 C99 | I97-G101 PolarHBondContact O-N 3.14Å; L98-G101 CarbonylContact O-C 3.48Å; L98-G101 PolarHBondContact O-N 2.79Å; C99-G101 VanDerWaalsContact C-N 3.3Å; C99-G101 PolarHBondContact O-N 3.19Å |
| 102 | L | 33.5 | Very low | 32.1 | Very low | 135 Ų | 135 | 107.9 Ų | 107.9 | 71% | 0.707 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -109.5 | -26.4 | 175.5 | -72.3 | 171 | 0 | 0 | 0 | 112.9 | L98 C99 V100 | L98-L102 HydrophobicContact CG-CD1 4.29Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 WeakPolarHBondContact O-CG 3.28Å; L98-L102 PolarHBondContact O-N 2.8Å; C99-L102 PolarHBondContact O-N 3.04Å; V100-L102 VanDerWaalsContact C-N 3.29Å; V100-L102 PolarHBondContact O-N 3.06Å |
| 103 | A | 32.4 | Very low | 31.7 | Very low | 89 Ų | 89 | 107.8 Ų | 107.8 | 74% | 0.736 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -83 | -34.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C99 G105 | C99-A103 VanDerWaalsContact O-CB 3.27Å; C99-A103 WeakPolarHBondContact O-CB 3.46Å; C99-A103 PolarHBondContact O-N 3.37Å; A103-G105 PolarHBondContact O-N 3.41Å |
| 104 | L | 35.3 | Very low | 31.5 | Very low | 118 Ų | 118 | 111.9 Ų | 111.9 | 62% | 0.618 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -83.4 | 96.8 | 159.9 | -60.9 | 175.8 | 0 | 0 | 0 | 107.3 | V100 A106 | V100-L104 HydrophobicContact CG1-CD1 3.95Å; V100-L104 VanDerWaalsContact O-CB 3.29Å; V100-L104 WeakPolarHBondContact O-CB 3.5Å; V100-L104 PolarHBondContact O-N 3.42Å; L104-A106 PolarHBondContact O-N 3Å |
| 105 | G | 38.7 | Very low | 31.2 | Very low | 70 Ų | 70 | 111.9 Ų | 111.9 | 72% | 0.722 | 65% | 0.65 | S | S | * | * | trans | -65.6 | 67.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | A103 E107 | A103-G105 PolarHBondContact O-N 3.41Å; G105-E107 PolarHBondContact O-N 3.19Å | ||
| 106 | A | 33.1 | Very low | 31 | Very low | 78 Ų | 78 | 119.5 Ų | 119.5 | 65% | 0.645 | 67% | 0.669 | S | S | * | * | trans | -76.7 | 74.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L104 L108 | L104-A106 PolarHBondContact O-N 3Å; A106-L108 PolarHBondContact O-N 3.17Å; A106-L108 VanDerWaalsContact O-N 3.13Å | ||
| 107 | E | 31.9 | Very low | 30.5 | Very low | 66 Ų | 66 | 120.1 Ų | 120.1 | 31% | 0.308 | 68% | 0.683 | S | S | . | * | trans | -51.2 | 118.6 | 149.1 | -66.3 | -163.7 | 123.7 | 0 | 0 | 106.4 | G105 Y109 R116 S118 | G105-E107 PolarHBondContact O-N 3.19Å; E107-Y109 VanDerWaalsContact C-N 3.33Å; E107-Y109 WeakPolarHBondContact O-CD2 3.44Å; E107-Y109 PolarHBondContact O-N 2.88Å; E107-R116 IonicContact OE1-NE 3.67Å; E107-R116 IonicContact OE1-NH2 3.83Å; E107-R116 IonicContact OE2-CZ 3.29Å; E107-R116 VanDerWaalsContact OE2-CZ 3.29Å; E107-R116 IonicContact OE2-NE 2.84Å; E107-R116 PolarHBondContact OE2-NE 3.25Å; E107-R116 IonicContact OE2-NH2 2.84Å; E107-R116 PolarHBondContact OE2-NH2 2.88Å; E107-S118 WeakPolarHBondContact OE1-CB 3.44Å; E107-S118 PolarHBondContact OE1-OG 3.11Å | ||
| 108 | L | 26.3 | Very low | 30.2 | Very low | 176 Ų | 176 | 118.2 Ų | 118.2 | 92% | 0.921 | 68% | 0.68 | S | S | * | * | trans | -68.3 | 89.8 | -177.3 | -87.5 | 157.2 | 0 | 0 | 0 | 109.7 | A106 C110 | A106-L108 PolarHBondContact O-N 3.17Å; A106-L108 VanDerWaalsContact O-N 3.13Å; L108-C110 PolarHBondContact O-N 3.47Å | ||
| 109 | Y | 26.5 | Very low | 30.1 | Very low | 188 Ų | 188 | 117.4 Ų | 117.4 | 74% | 0.737 | 69% | 0.69 | S | S | * | * | trans | -60.3 | 118.7 | 178.3 | -77.1 | -88.7 | 0 | 0 | 0 | 111.2 | E107 L111 | E107-Y109 VanDerWaalsContact C-N 3.33Å; E107-Y109 WeakPolarHBondContact O-CD2 3.44Å; E107-Y109 PolarHBondContact O-N 2.88Å; Y109-L111 PolarHBondContact O-N 3.22Å | ||
| 110 | C | 24.6 | Very low | 30.3 | Very low | 85 Ų | 85 | 119.3 Ų | 119.3 | 57% | 0.574 | 70% | 0.701 | S | S | * | * | trans | -83 | 102.1 | 163.3 | -171.7 | 0 | 0 | 0 | 0 | 108.2 | L108 T112 C113 | L108-C110 PolarHBondContact O-N 3.47Å; C110-T112 PolarHBondContact O-N 3.41Å; C110-C113 PolarHBondContact O-N 3.38Å; C110-C113 VanDerWaalsContact O-N 3.1Å | ||
| 111 | L | 29 | Very low | 30.5 | Very low | 173 Ų | 173 | 121 Ų | 121 | 91% | 0.906 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 24.2 | -177.7 | -92.2 | 150.1 | 0 | 0 | 0 | 115.4 | Y109 | Y109-L111 PolarHBondContact O-N 3.22Š|
| 112 | T | 28.4 | Very low | 30.1 | Very low | 128 Ų | 128 | 122.9 Ų | 122.9 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.6 | 8.4 | 172 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | C110 | C110-T112 PolarHBondContact O-N 3.41Š|
| 113 | C | 25.9 | Very low | 30.2 | Very low | 91 Ų | 91 | 124.2 Ų | 124.2 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | trans | -146.5 | 109.1 | 178.3 | -116.8 | 0 | 0 | 0 | 0 | 113.2 | C110 Q115 | C110-C113 PolarHBondContact O-N 3.38Å; C110-C113 VanDerWaalsContact O-N 3.1Å; C113-Q115 PolarHBondContact O-N 3.46Å | ||
| 114 | E | 32.5 | Very low | 29.8 | Very low | 192 Ų | 192 | 131.8 Ų | 131.8 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | trans | -76.7 | 56.3 | 171.7 | -65 | -172.4 | 131.9 | 0 | 0 | 113 | ||||
| 115 | Q | 26.6 | Very low | 29.9 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -137.7 | 114.5 | 166.5 | -79.1 | -63 | -72.8 | 0 | 0 | 110.7 | C113 | C113-Q115 PolarHBondContact O-N 3.46Š| ||
| 116 | R | 26.6 | Very low | 29.5 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | -72.6 | 144.3 | 176.8 | -165.6 | -179.6 | -162.8 | -163.4 | 5.5 | 110.6 | E107 | E107-R116 IonicContact OE1-NE 3.67Å; E107-R116 IonicContact OE1-NH2 3.83Å; E107-R116 IonicContact OE2-CZ 3.29Å; E107-R116 VanDerWaalsContact OE2-CZ 3.29Å; E107-R116 IonicContact OE2-NE 2.84Å; E107-R116 PolarHBondContact OE2-NE 3.25Å; E107-R116 IonicContact OE2-NH2 2.84Å; E107-R116 PolarHBondContact OE2-NH2 2.88Å | ||
| 117 | S | 25.1 | Very low | 29.3 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -153.8 | 109.4 | 159.5 | 62.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 118 | S | 28.4 | Very low | 29.3 | Very low | 75 Ų | 75 | 154.4 Ų | 154.4 | 52% | 0.524 | 79% | 0.794 | S | S | . | * | trans | -115.4 | 116.5 | 164.7 | 18.1 | 0 | 0 | 0 | 0 | 108.5 | E107 | E107-S118 WeakPolarHBondContact OE1-CB 3.44Å; E107-S118 PolarHBondContact OE1-OG 3.11Å | ||
| 119 | A | 28.4 | Very low | 29.3 | Very low | 100 Ų | 100 | 151 Ų | 151 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 67.4 | 159.9 | 171 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 120 | P | 34.2 | Very low | 29.6 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -94.5 | 178.3 | -175.6 | 40.6 | -36.3 | 0 | 0 | 0 | 112.4 | ||||
| 121 | P | 38.3 | Very low | 29.9 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | cis | -134.8 | -168.4 | 7.7 | 43.4 | -25.3 | 0 | 0 | 0 | 115.6 | ||||
| 122 | A | 25.5 | Very low | 30.3 | Very low | 92 Ų | 92 | 145.6 Ų | 145.6 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | 71.4 | 132.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 123 | I | 35.5 | Very low | 30.5 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | 0.7 | 116.7 | 161 | -50.1 | 173.4 | 0 | 0 | 0 | 118.5 | ||||
| 124 | R | 24.6 | Very low | 31 | Very low | 248 Ų | 248 | 146.3 Ų | 146.3 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | -158.1 | 144.8 | 127.5 | -114.3 | 173.3 | -174 | -157.7 | 1.4 | 113.2 | |||||
| 125 | R | 38.6 | Very low | 31.3 | Very low | 238 Ų | 238 | 142.9 Ų | 142.9 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | -97.9 | 133.6 | 171.7 | -65.9 | -176.8 | -179.4 | -157.5 | 2.6 | 110.3 | ||||
| 126 | R | 29.6 | Very low | 32 | Very low | 234 Ų | 234 | 140.1 Ų | 140.1 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | 169.9 | 158.2 | 134.7 | -94.6 | 165.7 | -169.2 | -111.7 | 3 | 107.9 | ||||
| 127 | R | 29.2 | Very low | 33.2 | Very low | 216 Ų | 216 | 140.6 Ų | 140.6 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | cis | 178.5 | 113.2 | -32.6 | -169 | -176.5 | -162.3 | -161.7 | 5.3 | 102.7 | ||||
| 128 | S | 31.4 | Very low | 34.8 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 47 | 109.4 | 154.6 | -48.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 129 | A | 26.8 | Very low | 36.4 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -120 | 136.1 | 134 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 130 | S | 33 | Very low | 38 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | -89.8 | 115.6 | -169.7 | 48.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 131 | G | 30.2 | Very low | 39.8 | Very low | 67 Ų | 67 | 132.6 Ų | 132.6 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | -152.2 | 128.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108 | S133 | G131-S133 PolarHBondContact O-N 3.19Š| ||
| 132 | S | 37.8 | Very low | 41.4 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 96% | 0.958 | 73% | 0.732 | S | S | * | * | trans | -74.5 | 94.2 | -164.5 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 133 | S | 32.8 | Very low | 43.4 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | -128.6 | 127.7 | 154.3 | 62.6 | 0 | 0 | 0 | 0 | 109.3 | G131 | G131-S133 PolarHBondContact O-N 3.19Š| ||
| 134 | T | 35.7 | Very low | 45.1 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 81% | 0.81 | 70% | 0.698 | S | S | * | * | trans | -67.3 | 124 | 176.3 | 37.8 | 0 | 0 | 0 | 0 | 108.7 | C136 | T134-C136 PolarHBondContact O-N 3.45Å; T134-C136 VanDerWaalsContact O-N 3.12Å | ||
| 135 | P | 38.8 | Very low | 47.1 | Very low | 121 Ų | 121 | 122.3 Ų | 122.3 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | trans | -64.5 | 121 | -175.7 | 24 | -32.8 | 0 | 0 | 0 | 109.9 | R137 | P135-R137 VanDerWaalsContact C-N 3.33Å; P135-R137 PolarHBondContact O-N 3.49Å | ||
| 136 | C | 41.7 | Very low | 48.2 | Very low | 115 Ų | 115 | 114.3 Ų | 114.3 | 78% | 0.777 | 67% | 0.668 | S | S | * | * | trans | -60.1 | 91.8 | 175.6 | -84.4 | 0 | 0 | 0 | 0 | 110.4 | T134 L138 | T134-C136 PolarHBondContact O-N 3.45Å; T134-C136 VanDerWaalsContact O-N 3.12Å; C136-L138 VanDerWaalsContact C-N 3.33Å; C136-L138 PolarHBondContact O-N 2.96Å | ||
| 137 | R | 51.3 | Low | 49.2 | Very low | 200 Ų | 200 | 107 Ų | 107 | 76% | 0.755 | 65% | 0.65 | S | S | * | * | trans | -70.2 | 87.7 | -179.6 | -169.7 | 178.5 | -175.5 | -173.9 | 2.7 | 110.5 | P135 F139 | P135-R137 VanDerWaalsContact C-N 3.33Å; P135-R137 PolarHBondContact O-N 3.49Å; R137-F139 HydrophobicContact CG-CZ 4.42Å; R137-F139 WeakPolarHBondContact O-CD2 3.47Å; R137-F139 WeakPolarHBondContact O-CE2 3.26Å | ||
| 138 | L | 58.5 | Low | 50.4 | Low | 100 Ų | 100 | 97.6 Ų | 97.6 | 52% | 0.524 | 62% | 0.617 | S | S | . | * | trans | -71.7 | 136 | 171.2 | -62.9 | 177.3 | 0 | 0 | 0 | 110.2 | C136 R149 | C136-L138 VanDerWaalsContact C-N 3.33Å; C136-L138 PolarHBondContact O-N 2.96Å; L138-R149 HydrophobicContact CD2-CB 4.5Å; L138-R149 HydrophobicContact CD2-CG 3.59Å | ||
| 139 | F | 62.9 | Low | 51.7 | Low | 53 Ų | 53 | 100.1 Ų | 100.1 | 23% | 0.232 | 61% | 0.608 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.7 | 104.1 | 174.4 | -63.3 | -85.9 | 0 | 0 | 0 | 108.3 | R137 S148 L154 | R137-F139 HydrophobicContact CG-CZ 4.42Å; R137-F139 WeakPolarHBondContact O-CD2 3.47Å; R137-F139 WeakPolarHBondContact O-CE2 3.26Å; F139-S148 PolarHBondContact N-O 3.36Å; F139-S148 PolarHBondContact O-N 3.43Å; F139-L154 HydrophobicContact CB-CB 3.98Å; F139-L154 HydrophobicContact CB-CD2 3.77Å; F139-L154 HydrophobicContact CB-CG 4.49Å |
| 140 | S | 61.4 | Low | 53.2 | Low | 81 Ų | 81 | 101.7 Ų | 101.7 | 57% | 0.566 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.6 | 148.7 | 175.7 | 48.3 | 0 | 0 | 0 | 0 | 112.2 | L154 | S140-L154 WeakPolarHBondContact O-CD2 3.39Å |
| 141 | C | 71.4 | Confident | 54.6 | Low | 11 Ų | 11 | 98.1 Ų | 98.1 | 7% | 0.074 | 57% | 0.567 | C | S | . | * | trans | -77.3 | 140 | 165.9 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | L143 C144 F146 L154 M158 H161 | C141-L143 VanDerWaalsContact C-N 3.31Å; C141-L143 PolarHBondContact SG-N 3.2Å; C141-L143 VanDerWaalsContact SG-N 3.38Å; C141-C144 VanDerWaalsContact O-O 3.1Å; C141-F146 HydrophobicContact CB-CB 4.12Å; C141-F146 PolarHBondContact N-O 2.92Å; C141-L154 HydrophobicContact CB-CD1 3.84Å; C141-M158 VanDerWaalsContact SG-SD 3.62Å; C141-H161 PolarHBondContact SG-NE2 2.79Å; C141-H161 VanDerWaalsContact SG-NE2 3.43Å | ||
| 142 | S | 71.8 | Confident | 56.5 | Low | 108 Ų | 108 | 99.5 Ų | 99.5 | 76% | 0.755 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -79.9 | -12.9 | 174.2 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 143 | L | 69.1 | Low | 58 | Low | 106 Ų | 106 | 96 Ų | 96 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -111.8 | -8.3 | -172.6 | -59.1 | 175.8 | 0 | 0 | 0 | 113.5 | C141 M158 H161 | C141-L143 VanDerWaalsContact C-N 3.31Å; C141-L143 PolarHBondContact SG-N 3.2Å; C141-L143 VanDerWaalsContact SG-N 3.38Å; L143-M158 HydrophobicContact CD1-CE 4.07Å; L143-H161 HydrophobicContact CD1-CB 3.53Å |
| 144 | C | 70.9 | Confident | 59.6 | Low | 50 Ų | 50 | 92.5 Ų | 92.5 | 34% | 0.338 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -161.5 | 175.7 | 175.2 | 71.4 | 0 | 0 | 0 | 0 | 111.4 | C141 F146 H157 | C141-C144 VanDerWaalsContact O-O 3.1Å; C144-F146 PolarHBondContact O-N 2.8Å; C144-F146 VanDerWaalsContact O-N 3.07Å; C144-F146 VanDerWaalsContact SG-CB 3.54Å; C144-H157 VanDerWaalsContact SG-CE1 3.56Å; C144-H157 PolarHBondContact SG-NE2 3.41Å |
| 145 | T | 67.4 | Low | 61.3 | Low | 146 Ų | 146 | 93.7 Ų | 93.7 | 90% | 0.896 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -70.3 | 3.1 | -179.1 | 52.1 | 0 | 0 | 0 | 0 | 115.2 | T147 | T145-T147 PolarHBondContact O-N 2.88Š|
| 146 | F | 59.7 | Low | 62.9 | Low | 70 Ų | 70 | 93 Ų | 93 | 31% | 0.307 | 48% | 0.476 | S | S | . | . | trans | -65.5 | 127.7 | -179.5 | -179.2 | -96.2 | 0 | 0 | 0 | 112 | C141 C144 L154 H157 | C141-F146 HydrophobicContact CB-CB 4.12Å; C141-F146 PolarHBondContact N-O 2.92Å; C144-F146 PolarHBondContact O-N 2.8Å; C144-F146 VanDerWaalsContact O-N 3.07Å; C144-F146 VanDerWaalsContact SG-CB 3.54Å; F146-L154 HydrophobicContact CD1-CD1 4.22Å; F146-H157 HydrophobicContact CD1-CB 3.78Å; F146-H157 AromaticContact CD1-CD2 3.75Å; F146-H157 AromaticContact CD1-CG 3.42Å; F146-H157 VanDerWaalsContact CD1-CG 3.42Å; F146-H157 AromaticContact CD1-ND1 3.65Å; F146-H157 AromaticContact CD2-ND1 3.72Å; F146-H157 HydrophobicContact CE1-CB 3.56Å; F146-H157 AromaticContact CE1-CG 3.74Å; F146-H157 HydrophobicContact CG-CB 4.47Å; F146-H157 AromaticContact CG-CE1 3.63Å; F146-H157 AromaticContact CG-CG 3.75Å; F146-H157 AromaticContact CG-ND1 3.45Å; F146-H157 WeakPolarHBondContact CG-ND1 3.45Å; F146-H157 HydrophobicContact CZ-CB 4.09Å | ||
| 147 | T | 51.5 | Low | 64.3 | Low | 82 Ų | 82 | 89 Ų | 89 | 50% | 0.503 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 149.5 | 173.5 | 58 | 0 | 0 | 0 | 0 | 110.8 | T145 | T145-T147 PolarHBondContact O-N 2.88Å |
| 148 | S | 53.5 | Low | 65.2 | Low | 17 Ų | 17 | 81.5 Ų | 81.5 | 12% | 0.119 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 147.7 | 177.3 | -144.6 | 0 | 0 | 0 | 0 | 113.3 | F139 Y150 H153 | F139-S148 PolarHBondContact N-O 3.36Å; F139-S148 PolarHBondContact O-N 3.43Å; S148-Y150 PolarHBondContact O-N 2.88Å; S148-H153 VanDerWaalsContact OG-CB 3.25Å; S148-H153 WeakPolarHBondContact OG-CB 3.29Å |
| 149 | R | 58.7 | Low | 65.8 | Low | 171 Ų | 171 | 78 Ų | 78 | 65% | 0.645 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -72.3 | -11 | 174 | -73.4 | -176.1 | -80.6 | 164.9 | -10.2 | 113.9 | L138 | L138-R149 HydrophobicContact CD2-CB 4.5Å; L138-R149 HydrophobicContact CD2-CG 3.59Å |
| 150 | Y | 58.3 | Low | 66.1 | Low | 138 Ų | 138 | 80.5 Ų | 80.5 | 54% | 0.541 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -130.8 | 133.6 | -175.7 | -53.5 | -78.1 | 0 | 0 | 0 | 112 | S148 N152 H153 L154 | S148-Y150 PolarHBondContact O-N 2.88Å; Y150-N152 VanDerWaalsContact C-N 3.31Å; Y150-N152 WeakPolarHBondContact CB-OD1 3.39Å; Y150-N152 PolarHBondContact O-N 3.27Å; Y150-H153 WeakPolarHBondContact O-CB 3.33Å; Y150-H153 PolarHBondContact O-N 3.21Å; Y150-H153 VanDerWaalsContact O-N 3.13Å; Y150-L154 PolarHBondContact O-N 3.08Å |
| 151 | S | 63.7 | Low | 66.6 | Low | 54 Ų | 54 | 80 Ų | 80 | 38% | 0.378 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.9 | -31.8 | -177.8 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | H153 L154 K155 | S151-H153 VanDerWaalsContact C-N 3.31Å; S151-H153 PolarHBondContact O-N 3.11Å; S151-L154 PolarHBondContact O-N 3Å; S151-K155 WeakPolarHBondContact O-CG 3.34Å; S151-K155 PolarHBondContact O-N 3.23Å |
| 152 | N | 69.1 | Low | 66.5 | Low | 97 Ų | 97 | 83.9 Ų | 83.9 | 52% | 0.519 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.7 | -32.1 | 174.7 | 67.3 | -19.2 | 0 | 0 | 0 | 112.4 | Y150 R156 | Y150-N152 VanDerWaalsContact C-N 3.31Å; Y150-N152 WeakPolarHBondContact CB-OD1 3.39Å; Y150-N152 PolarHBondContact O-N 3.27Å; N152-R156 VanDerWaalsContact O-CB 3.25Å; N152-R156 WeakPolarHBondContact O-CB 3.44Å; N152-R156 PolarHBondContact O-N 3.48Å |
| 153 | H | 69.3 | Low | 66.3 | Low | 62 Ų | 62 | 81 Ų | 81 | 29% | 0.287 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -71.6 | -40 | 175.4 | -76.6 | -159.1 | 0 | 0 | 0 | 111.2 | S148 Y150 S151 R156 H157 | S148-H153 VanDerWaalsContact OG-CB 3.25Å; S148-H153 WeakPolarHBondContact OG-CB 3.29Å; Y150-H153 WeakPolarHBondContact O-CB 3.33Å; Y150-H153 PolarHBondContact O-N 3.21Å; Y150-H153 VanDerWaalsContact O-N 3.13Å; S151-H153 VanDerWaalsContact C-N 3.31Å; S151-H153 PolarHBondContact O-N 3.11Å; H153-R156 PolarHBondContact CD2-NH2 3.37Å; H153-R156 PolarHBondContact NE2-NH2 2.85Å; H153-R156 VanDerWaalsContact NE2-NH2 3.13Å; H153-R156 PolarHBondContact O-N 3Å; H153-H157 WeakPolarHBondContact O-CB 3.42Å; H153-H157 PolarHBondContact O-N 3.44Å |
| 154 | L | 67.6 | Low | 66.4 | Low | 29 Ų | 29 | 84.6 Ų | 84.6 | 15% | 0.152 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64.4 | -49.8 | 171.4 | 178.8 | 62.5 | 0 | 0 | 0 | 111.4 | F139 S140 C141 F146 Y150 S151 R156 H157 M158 | F139-L154 HydrophobicContact CB-CB 3.98Å; F139-L154 HydrophobicContact CB-CD2 3.77Å; F139-L154 HydrophobicContact CB-CG 4.49Å; S140-L154 WeakPolarHBondContact O-CD2 3.39Å; C141-L154 HydrophobicContact CB-CD1 3.84Å; F146-L154 HydrophobicContact CD1-CD1 4.22Å; Y150-L154 PolarHBondContact O-N 3.08Å; S151-L154 PolarHBondContact O-N 3Å; L154-R156 PolarHBondContact O-N 3.46Å; L154-H157 CarbonylContact O-C 3.58Å; L154-H157 WeakPolarHBondContact O-CA 3.34Å; L154-H157 WeakPolarHBondContact O-CB 3.39Å; L154-H157 PolarHBondContact O-N 3.08Å; L154-M158 HydrophobicContact CD1-CG 4.48Å; L154-M158 HydrophobicContact CD1-SD 4.07Å; L154-M158 HydrophobicContact CG-CG 4.5Å; L154-M158 WeakPolarHBondContact O-CG 3.31Å; L154-M158 PolarHBondContact O-N 3.12Å |
| 155 | K | 71.1 | Confident | 66.6 | Low | 156 Ų | 156 | 88.2 Ų | 88.2 | 68% | 0.678 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -54.4 | -41.3 | 176.3 | -74.3 | 179.3 | 178.8 | -174 | 0 | 112.1 | S151 M158 | S151-K155 WeakPolarHBondContact O-CG 3.34Å; S151-K155 PolarHBondContact O-N 3.23Å; K155-M158 PolarHBondContact O-N 3.28Å |
| 156 | R | 71.6 | Confident | 66.9 | Low | 107 Ų | 107 | 85.5 Ų | 85.5 | 40% | 0.404 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.1 | -36.9 | 174.1 | -174.7 | 175.4 | 66.8 | -165.9 | -11.3 | 112.4 | N152 H153 L154 T159 Q178 | N152-R156 VanDerWaalsContact O-CB 3.25Å; N152-R156 WeakPolarHBondContact O-CB 3.44Å; N152-R156 PolarHBondContact O-N 3.48Å; H153-R156 PolarHBondContact CD2-NH2 3.37Å; H153-R156 PolarHBondContact NE2-NH2 2.85Å; H153-R156 VanDerWaalsContact NE2-NH2 3.13Å; H153-R156 PolarHBondContact O-N 3Å; L154-R156 PolarHBondContact O-N 3.46Å; R156-T159 PolarHBondContact O-OG1 3.41Å; R156-Q178 HydrophobicContact CG-CG 4.07Å |
| 157 | H | 72.1 | Confident | 67.9 | Low | 32 Ų | 32 | 85 Ų | 85 | 15% | 0.148 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 174.1 | 173.8 | 90.2 | 0 | 0 | 0 | 112.5 | C144 F146 H153 L154 T159 V160 H161 | C144-H157 VanDerWaalsContact SG-CE1 3.56Å; C144-H157 PolarHBondContact SG-NE2 3.41Å; F146-H157 HydrophobicContact CD1-CB 3.78Å; F146-H157 AromaticContact CD1-CD2 3.75Å; F146-H157 AromaticContact CD1-CG 3.42Å; F146-H157 VanDerWaalsContact CD1-CG 3.42Å; F146-H157 AromaticContact CD1-ND1 3.65Å; F146-H157 AromaticContact CD2-ND1 3.72Å; F146-H157 HydrophobicContact CE1-CB 3.56Å; F146-H157 AromaticContact CE1-CG 3.74Å; F146-H157 HydrophobicContact CG-CB 4.47Å; F146-H157 AromaticContact CG-CE1 3.63Å; F146-H157 AromaticContact CG-CG 3.75Å; F146-H157 AromaticContact CG-ND1 3.45Å; F146-H157 WeakPolarHBondContact CG-ND1 3.45Å; F146-H157 HydrophobicContact CZ-CB 4.09Å; H153-H157 WeakPolarHBondContact O-CB 3.42Å; H153-H157 PolarHBondContact O-N 3.44Å; L154-H157 CarbonylContact O-C 3.58Å; L154-H157 WeakPolarHBondContact O-CA 3.34Å; L154-H157 WeakPolarHBondContact O-CB 3.39Å; L154-H157 PolarHBondContact O-N 3.08Å; H157-T159 PolarHBondContact O-N 3.35Å; H157-T159 VanDerWaalsContact O-N 3.1Å; H157-V160 VanDerWaalsContact O-CB 3.24Å; H157-V160 WeakPolarHBondContact O-CB 3.48Å; H157-V160 VanDerWaalsContact O-CG2 3.31Å; H157-V160 WeakPolarHBondContact O-CG2 3.46Å; H157-V160 PolarHBondContact O-N 2.85Å; H157-H161 AromaticContact CD2-NE2 3.78Å; H157-H161 AromaticContact CE1-NE2 3.93Å; H157-H161 AromaticContact NE2-CD2 3.7Å; H157-H161 AromaticContact NE2-NE2 3.02Å; H157-H161 PolarHBondContact NE2-NE2 3.34Å |
| 158 | M | 70.4 | Confident | 69.4 | Low | 41 Ų | 41 | 90.6 Ų | 90.6 | 20% | 0.202 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -57.1 | -28.7 | 178.1 | -62.9 | -51.7 | -67.9 | 0 | 0 | 113.1 | C141 L143 L154 K155 V160 H161 D162 | C141-M158 VanDerWaalsContact SG-SD 3.62Å; L143-M158 HydrophobicContact CD1-CE 4.07Å; L154-M158 HydrophobicContact CD1-CG 4.48Å; L154-M158 HydrophobicContact CD1-SD 4.07Å; L154-M158 HydrophobicContact CG-CG 4.5Å; L154-M158 WeakPolarHBondContact O-CG 3.31Å; L154-M158 PolarHBondContact O-N 3.12Å; K155-M158 PolarHBondContact O-N 3.28Å; M158-V160 PolarHBondContact O-N 3.42Å; M158-H161 PolarHBondContact O-N 2.86Å; M158-D162 PolarHBondContact O-N 2.9Å |
| 159 | T | 69.9 | Low | 70.8 | Confident | 28 Ų | 28 | 90.4 Ų | 90.4 | 17% | 0.172 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59 | -19.1 | 173.3 | 69.6 | 0 | 0 | 0 | 0 | 114.7 | R156 H157 G163 A177 | R156-T159 PolarHBondContact O-OG1 3.41Å; H157-T159 PolarHBondContact O-N 3.35Å; H157-T159 VanDerWaalsContact O-N 3.1Å; T159-G163 PolarHBondContact O-N 2.99Å; T159-A177 WeakPolarHBondContact OG1-CB 3.47Å |
| 160 | V | 69.1 | Low | 72 | Confident | 105 Ų | 105 | 87.8 Ų | 87.8 | 64% | 0.636 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -70.1 | -40.7 | 172.7 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | H157 M158 | H157-V160 VanDerWaalsContact O-CB 3.24Å; H157-V160 WeakPolarHBondContact O-CB 3.48Å; H157-V160 VanDerWaalsContact O-CG2 3.31Å; H157-V160 WeakPolarHBondContact O-CG2 3.46Å; H157-V160 PolarHBondContact O-N 2.85Å; M158-V160 PolarHBondContact O-N 3.42Å |
| 161 | H | 71.7 | Confident | 73.2 | Confident | 71 Ų | 71 | 85.9 Ų | 85.9 | 33% | 0.329 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -81.3 | -44.7 | 179.2 | -58.8 | -67.9 | 0 | 0 | 0 | 111.7 | C141 L143 H157 M158 G163 | C141-H161 PolarHBondContact SG-NE2 2.79Å; C141-H161 VanDerWaalsContact SG-NE2 3.43Å; L143-H161 HydrophobicContact CD1-CB 3.53Å; H157-H161 AromaticContact CD2-NE2 3.78Å; H157-H161 AromaticContact CE1-NE2 3.93Å; H157-H161 AromaticContact NE2-CD2 3.7Å; H157-H161 AromaticContact NE2-NE2 3.02Å; H157-H161 PolarHBondContact NE2-NE2 3.34Å; M158-H161 PolarHBondContact O-N 2.86Å; H161-G163 PolarHBondContact O-N 3.5Å |
| 162 | D | 70.9 | Confident | 74.2 | Confident | 91 Ų | 91 | 85.3 Ų | 85.3 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -69.4 | -13.9 | -179.8 | -61.9 | -34.3 | 0 | 0 | 0 | 113.2 | M158 R164 | M158-D162 PolarHBondContact O-N 2.9Å; D162-R164 HydrophobicContact CB-CB 4.23Å; D162-R164 HydrophobicContact CB-CG 3.87Å; D162-R164 PolarHBondContact O-N 3.34Å |
| 163 | G | 67.4 | Low | 74.8 | Confident | 48 Ų | 48 | 87.3 Ų | 87.3 | 50% | 0.495 | 45% | 0.45 | S | S | . | . | trans | 62.7 | -0.1 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | T159 H161 K165 | T159-G163 PolarHBondContact O-N 2.99Å; H161-G163 PolarHBondContact O-N 3.5Å; G163-K165 PolarHBondContact O-N 2.88Å | ||
| 164 | R | 69.8 | Low | 75.4 | Confident | 182 Ų | 182 | 88.6 Ų | 88.6 | 69% | 0.687 | 45% | 0.453 | S | S | * | . | trans | -66.2 | 120.4 | -172.8 | -72.6 | 174.4 | -172.8 | -104.9 | 1.1 | 110.9 | D162 P166 | D162-R164 HydrophobicContact CB-CB 4.23Å; D162-R164 HydrophobicContact CB-CG 3.87Å; D162-R164 PolarHBondContact O-N 3.34Å; R164-P166 VanDerWaalsContact C-CD 3.44Å; R164-P166 WeakPolarHBondContact O-CD 3.39Å | ||
| 165 | K | 75.7 | Confident | 76 | Confident | 126 Ų | 126 | 88.4 Ų | 88.4 | 55% | 0.548 | 46% | 0.456 | S | S | . | . | trans | -113.6 | 75.7 | 178.1 | -69.3 | 167.3 | -178.6 | 178.6 | 0 | 110.3 | G163 H167 A175 S176 | G163-K165 PolarHBondContact O-N 2.88Å; K165-H167 PolarHBondContact O-N 3.13Å; K165-A175 HydrophobicContact CB-CB 3.71Å; K165-A175 HydrophobicContact CD-CB 4.19Å; K165-S176 CarbonylContact C-O 3.58Å; K165-S176 WeakPolarHBondContact CA-O 3.49Å | ||
| 166 | P | 74 | Confident | 76.5 | Confident | 88 Ų | 88 | 81.2 Ų | 81.2 | 57% | 0.571 | 43% | 0.425 | S | S | * | . | trans | -63.6 | -22.9 | -173.9 | 24.1 | -34.9 | 0 | 0 | 0 | 114.3 | R164 | R164-P166 VanDerWaalsContact C-CD 3.44Å; R164-P166 WeakPolarHBondContact O-CD 3.39Å | ||
| 167 | H | 80.8 | Confident | 76.8 | Confident | 61 Ų | 61 | 77.7 Ų | 77.7 | 28% | 0.282 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 94.9 | -176.7 | -57 | -70.7 | 0 | 0 | 0 | 111 | K165 A175 S176 L179 L182 | K165-H167 PolarHBondContact O-N 3.13Å; H167-A175 CarbonylContact O-C 3.58Å; H167-A175 WeakPolarHBondContact O-CA 3.49Å; H167-S176 PolarHBondContact N-O 2.98Å; H167-S176 VanDerWaalsContact N-O 3.09Å; H167-S176 PolarHBondContact O-N 3.36Å; H167-S176 PolarHBondContact O-OG 3.43Å; H167-L179 PolarHBondContact CD2-N 3.17Å; H167-L179 PolarHBondContact NE2-N 3.25Å; H167-L182 HydrophobicContact CB-CB 4.01Å; H167-L182 HydrophobicContact CB-CD2 3.84Å |
| 168 | R | 82 | Confident | 77.1 | Confident | 199 Ų | 199 | 79.3 Ų | 79.3 | 75% | 0.751 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 146.8 | 176.5 | -68.7 | -178.6 | 169.6 | 172.9 | -4.5 | 111.9 | A175 L182 | R168-A175 HydrophobicContact CG-CB 3.97Å; R168-L182 VanDerWaalsContact O-CD2 3.26Å; R168-L182 WeakPolarHBondContact O-CD2 3.45Å |
| 169 | C | 84.5 | Confident | 77.5 | Confident | 13 Ų | 13 | 81.5 Ų | 81.5 | 9% | 0.088 | 44% | 0.438 | C | S | . | . | trans | -79.9 | 137.7 | 170.3 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | V171 C172 Y174 L182 H185 H189 | C169-V171 VanDerWaalsContact C-N 3.34Å; C169-V171 PolarHBondContact SG-N 2.99Å; C169-V171 VanDerWaalsContact SG-N 3.41Å; C169-C172 WeakPolarHBondContact CB-O 3.36Å; C169-Y174 WeakPolarHBondContact CB-O 3.31Å; C169-Y174 PolarHBondContact N-O 2.65Å; C169-L182 HydrophobicContact CB-CD1 3.86Å; C169-H185 PolarHBondContact SG-NE2 2.35Å; C169-H185 VanDerWaalsContact SG-NE2 3.43Å; C169-H189 PolarHBondContact SG-NE2 3.18Å; C169-H189 VanDerWaalsContact SG-NE2 3.41Å | ||
| 170 | P | 83.4 | Confident | 77.7 | Confident | 116 Ų | 116 | 84.7 Ų | 84.7 | 75% | 0.753 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -77.8 | -17.2 | 175 | 30.4 | -33.3 | 0 | 0 | 0 | 113.5 | L186 | P170-L186 HydrophobicContact CG-CD2 4.47Š|
| 171 | V | 84 | Confident | 78.2 | Confident | 98 Ų | 98 | 81.6 Ų | 81.6 | 59% | 0.594 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -97.2 | -25.8 | -174.4 | -175.8 | 0 | 0 | 0 | 0 | 112.8 | C169 H189 | C169-V171 VanDerWaalsContact C-N 3.34Å; C169-V171 PolarHBondContact SG-N 2.99Å; C169-V171 VanDerWaalsContact SG-N 3.41Å; V171-H189 HydrophobicContact CG1-CB 4.5Å |
| 172 | C | 84 | Confident | 78.7 | Confident | 41 Ų | 41 | 79 Ų | 79 | 28% | 0.277 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -153.2 | 167.8 | -174.5 | 86.1 | 0 | 0 | 0 | 0 | 111.5 | C169 Y174 H185 | C169-C172 WeakPolarHBondContact CB-O 3.36Å; C172-Y174 PolarHBondContact O-N 3Å; C172-Y174 VanDerWaalsContact SG-CB 3.57Å; C172-H185 PolarHBondContact SG-NE2 3.44Å |
| 173 | P | 82.6 | Confident | 79.1 | Confident | 140 Ų | 140 | 79.3 Ų | 79.3 | 91% | 0.909 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -71.4 | 13.2 | -174.7 | 30.2 | -36.4 | 0 | 0 | 0 | 114.8 | ||
| 174 | Y | 81.4 | Confident | 79.7 | Confident | 89 Ų | 89 | 82.2 Ų | 82.2 | 35% | 0.349 | 42% | 0.42 | S | S | . | . | trans | -68.8 | 131.6 | 176.2 | -178.8 | -96.3 | 0 | 0 | 0 | 111.4 | C169 C172 L182 H185 | C169-Y174 WeakPolarHBondContact CB-O 3.31Å; C169-Y174 PolarHBondContact N-O 2.65Å; C172-Y174 PolarHBondContact O-N 3Å; C172-Y174 VanDerWaalsContact SG-CB 3.57Å; Y174-L182 HydrophobicContact CD1-CD1 4.46Å; Y174-H185 WeakPolarHBondContact CB-NE2 3.35Å; Y174-H185 HydrophobicContact CD1-CB 3.86Å; Y174-H185 AromaticContact CD1-CD2 3.32Å; Y174-H185 WeakPolarHBondContact CD1-CD2 3.45Å; Y174-H185 AromaticContact CD1-CG 3.37Å; Y174-H185 AromaticContact CD1-ND1 3.88Å; Y174-H185 AromaticContact CD1-NE2 3.8Å; Y174-H185 HydrophobicContact CE1-CB 3.59Å; Y174-H185 AromaticContact CE1-CG 3.64Å; Y174-H185 AromaticContact CG-CD2 3.76Å; Y174-H185 AromaticContact CG-CE1 3.77Å; Y174-H185 AromaticContact CG-CG 3.79Å; Y174-H185 AromaticContact CG-ND1 3.8Å; Y174-H185 AromaticContact CG-NE2 3.74Å | ||
| 175 | A | 80.4 | Confident | 80.2 | Confident | 25 Ų | 25 | 74.9 Ų | 74.9 | 21% | 0.207 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 146.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | K165 H167 R168 | K165-A175 HydrophobicContact CB-CB 3.71Å; K165-A175 HydrophobicContact CD-CB 4.19Å; H167-A175 CarbonylContact O-C 3.58Å; H167-A175 WeakPolarHBondContact O-CA 3.49Å; R168-A175 HydrophobicContact CG-CB 3.97Å |
| 176 | S | 80.2 | Confident | 80.4 | Confident | 5 Ų | 5 | 71.7 Ų | 71.7 | 4% | 0.035 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 155.4 | -177.6 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | K165 H167 Q178 L182 | K165-S176 CarbonylContact C-O 3.58Å; K165-S176 WeakPolarHBondContact CA-O 3.49Å; H167-S176 PolarHBondContact N-O 2.98Å; H167-S176 VanDerWaalsContact N-O 3.09Å; H167-S176 PolarHBondContact O-N 3.36Å; H167-S176 PolarHBondContact O-OG 3.43Å; S176-Q178 VanDerWaalsContact C-N 3.3Å; S176-Q178 PolarHBondContact O-N 3.26Å; S176-Q178 PolarHBondContact OG-O 3.49Å; S176-L182 PolarHBondContact OG-N 3.29Å |
| 177 | A | 78.3 | Confident | 80.8 | Confident | 32 Ų | 32 | 70.6 Ų | 70.6 | 26% | 0.264 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -76.6 | -11.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T159 | T159-A177 WeakPolarHBondContact OG1-CB 3.47Š|
| 178 | Q | 79.4 | Confident | 80.6 | Confident | 67 Ų | 67 | 72 Ų | 72 | 31% | 0.313 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -144.8 | 134 | -172.8 | -56 | 179.1 | 19 | 0 | 0 | 111.2 | R156 S176 V180 N181 L182 | R156-Q178 HydrophobicContact CG-CG 4.07Å; S176-Q178 VanDerWaalsContact C-N 3.3Å; S176-Q178 PolarHBondContact O-N 3.26Å; S176-Q178 PolarHBondContact OG-O 3.49Å; Q178-V180 VanDerWaalsContact C-N 3.26Å; Q178-V180 PolarHBondContact O-N 3.26Å; Q178-N181 WeakPolarHBondContact O-CB 3.25Å; Q178-N181 PolarHBondContact O-N 3.42Å; Q178-L182 PolarHBondContact O-N 3.12Å |
| 179 | L | 77.3 | Confident | 80.4 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 45% | 0.45 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -54.6 | -38.1 | -178.2 | -176.7 | 61.1 | 0 | 0 | 0 | 113.6 | H167 N181 L182 Q183 | H167-L179 PolarHBondContact CD2-N 3.17Å; H167-L179 PolarHBondContact NE2-N 3.25Å; L179-N181 PolarHBondContact O-N 3.16Å; L179-L182 HydrophobicContact CD1-CD2 4.45Å; L179-L182 WeakPolarHBondContact O-CB 3.34Å; L179-L182 PolarHBondContact O-N 3.28Å; L179-L182 VanDerWaalsContact O-N 3.11Å; L179-Q183 HydrophobicContact CD1-CG 4.43Å; L179-Q183 HydrophobicContact CG-CG 4.34Å; L179-Q183 WeakPolarHBondContact O-CG 3.31Å; L179-Q183 PolarHBondContact O-N 3.35Å |
| 180 | V | 75.9 | Confident | 80.1 | Confident | 96 Ų | 96 | 69.5 Ų | 69.5 | 58% | 0.582 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.4 | -32.3 | 177.5 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | Q178 R184 | Q178-V180 VanDerWaalsContact C-N 3.26Å; Q178-V180 PolarHBondContact O-N 3.26Å; V180-R184 WeakPolarHBondContact O-CB 3.21Å; V180-R184 PolarHBondContact O-N 2.87Å; V180-R184 VanDerWaalsContact O-N 3.07Å |
| 181 | N | 79.6 | Confident | 79.6 | Confident | 40 Ų | 40 | 66.2 Ų | 66.2 | 21% | 0.214 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -73 | -39.8 | 175.1 | -71.8 | -38.4 | 0 | 0 | 0 | 111.4 | Q178 L179 R184 H185 | Q178-N181 WeakPolarHBondContact O-CB 3.25Å; Q178-N181 PolarHBondContact O-N 3.42Å; L179-N181 PolarHBondContact O-N 3.16Å; N181-R184 PolarHBondContact OD1-NH2 3.41Å; N181-H185 WeakPolarHBondContact O-CB 3.26Å; N181-H185 PolarHBondContact O-N 3.37Å |
| 182 | L | 80.5 | Confident | 79.3 | Confident | 16 Ų | 16 | 66.3 Ų | 66.3 | 8% | 0.084 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 171.7 | 176.6 | 60.1 | 0 | 0 | 0 | 111.4 | H167 R168 C169 Y174 S176 Q178 L179 R184 H185 L186 | H167-L182 HydrophobicContact CB-CB 4.01Å; H167-L182 HydrophobicContact CB-CD2 3.84Å; R168-L182 VanDerWaalsContact O-CD2 3.26Å; R168-L182 WeakPolarHBondContact O-CD2 3.45Å; C169-L182 HydrophobicContact CB-CD1 3.86Å; Y174-L182 HydrophobicContact CD1-CD1 4.46Å; S176-L182 PolarHBondContact OG-N 3.29Å; Q178-L182 PolarHBondContact O-N 3.12Å; L179-L182 HydrophobicContact CD1-CD2 4.45Å; L179-L182 WeakPolarHBondContact O-CB 3.34Å; L179-L182 PolarHBondContact O-N 3.28Å; L179-L182 VanDerWaalsContact O-N 3.11Å; L182-R184 VanDerWaalsContact C-N 3.31Å; L182-R184 PolarHBondContact O-N 2.91Å; L182-H185 CarbonylContact O-C 3.6Å; L182-H185 WeakPolarHBondContact O-CA 3.42Å; L182-H185 WeakPolarHBondContact O-CB 3.3Å; L182-H185 PolarHBondContact O-N 3.05Å; L182-L186 HydrophobicContact CD1-CD2 4.25Å; L182-L186 HydrophobicContact CD1-CG 4.19Å; L182-L186 HydrophobicContact CG-CD1 4.36Å; L182-L186 HydrophobicContact CG-CG 4.35Å; L182-L186 WeakPolarHBondContact O-CG 3.44Å; L182-L186 PolarHBondContact O-N 3.21Å |
| 183 | Q | 80.8 | Confident | 79.1 | Confident | 97 Ų | 97 | 71 Ų | 71 | 45% | 0.453 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.2 | -42.6 | 178.3 | -73.3 | 173.3 | -27.9 | 0 | 0 | 112.3 | L179 H185 L186 | L179-Q183 HydrophobicContact CD1-CG 4.43Å; L179-Q183 HydrophobicContact CG-CG 4.34Å; L179-Q183 WeakPolarHBondContact O-CG 3.31Å; L179-Q183 PolarHBondContact O-N 3.35Å; Q183-H185 VanDerWaalsContact C-N 3.31Å; Q183-H185 PolarHBondContact O-N 3.07Å; Q183-L186 PolarHBondContact O-N 3.15Å |
| 184 | R | 80 | Confident | 78.9 | Confident | 109 Ų | 109 | 67.5 Ų | 67.5 | 41% | 0.411 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.2 | -33.4 | 173.3 | 175.9 | 170.4 | 57.5 | 174.5 | -1 | 112.9 | V180 N181 L182 S206 | V180-R184 WeakPolarHBondContact O-CB 3.21Å; V180-R184 PolarHBondContact O-N 2.87Å; V180-R184 VanDerWaalsContact O-N 3.07Å; N181-R184 PolarHBondContact OD1-NH2 3.41Å; L182-R184 VanDerWaalsContact C-N 3.31Å; L182-R184 PolarHBondContact O-N 2.91Å; R184-S206 PolarHBondContact NH1-OG 3.03Å |
| 185 | H | 78.9 | Confident | 78.9 | Confident | 29 Ų | 29 | 66.3 Ų | 66.3 | 13% | 0.134 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.9 | -37.9 | 174.3 | 169.8 | 72.6 | 0 | 0 | 0 | 112.2 | C169 C172 Y174 N181 L182 Q183 R187 T188 H189 | C169-H185 PolarHBondContact SG-NE2 2.35Å; C169-H185 VanDerWaalsContact SG-NE2 3.43Å; C172-H185 PolarHBondContact SG-NE2 3.44Å; Y174-H185 WeakPolarHBondContact CB-NE2 3.35Å; Y174-H185 HydrophobicContact CD1-CB 3.86Å; Y174-H185 AromaticContact CD1-CD2 3.32Å; Y174-H185 WeakPolarHBondContact CD1-CD2 3.45Å; Y174-H185 AromaticContact CD1-CG 3.37Å; Y174-H185 AromaticContact CD1-ND1 3.88Å; Y174-H185 AromaticContact CD1-NE2 3.8Å; Y174-H185 HydrophobicContact CE1-CB 3.59Å; Y174-H185 AromaticContact CE1-CG 3.64Å; Y174-H185 AromaticContact CG-CD2 3.76Å; Y174-H185 AromaticContact CG-CE1 3.77Å; Y174-H185 AromaticContact CG-CG 3.79Å; Y174-H185 AromaticContact CG-ND1 3.8Å; Y174-H185 AromaticContact CG-NE2 3.74Å; N181-H185 WeakPolarHBondContact O-CB 3.26Å; N181-H185 PolarHBondContact O-N 3.37Å; L182-H185 CarbonylContact O-C 3.6Å; L182-H185 WeakPolarHBondContact O-CA 3.42Å; L182-H185 WeakPolarHBondContact O-CB 3.3Å; L182-H185 PolarHBondContact O-N 3.05Å; Q183-H185 VanDerWaalsContact C-N 3.31Å; Q183-H185 PolarHBondContact O-N 3.07Å; H185-R187 PolarHBondContact O-N 2.95Å; H185-R187 VanDerWaalsContact O-N 3.15Å; H185-T188 WeakPolarHBondContact O-CB 3.39Å; H185-T188 PolarHBondContact O-N 3.23Å; H185-T188 PolarHBondContact O-OG1 3.1Å; H185-H189 AromaticContact CD2-NE2 3.93Å; H185-H189 AromaticContact CE1-NE2 3.56Å; H185-H189 AromaticContact NE2-CD2 3.83Å; H185-H189 AromaticContact NE2-NE2 3.04Å; H185-H189 PolarHBondContact NE2-NE2 3.44Å |
| 186 | L | 80.7 | Confident | 78.8 | Confident | 58 Ų | 58 | 67.1 Ų | 67.1 | 30% | 0.304 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.8 | -32.2 | 177.2 | -67.1 | 174.5 | 0 | 0 | 0 | 112.4 | P170 L182 Q183 T188 H189 T190 | P170-L186 HydrophobicContact CG-CD2 4.47Å; L182-L186 HydrophobicContact CD1-CD2 4.25Å; L182-L186 HydrophobicContact CD1-CG 4.19Å; L182-L186 HydrophobicContact CG-CD1 4.36Å; L182-L186 HydrophobicContact CG-CG 4.35Å; L182-L186 WeakPolarHBondContact O-CG 3.44Å; L182-L186 PolarHBondContact O-N 3.21Å; Q183-L186 PolarHBondContact O-N 3.15Å; L186-T188 PolarHBondContact O-N 3.1Å; L186-T188 VanDerWaalsContact O-N 3.13Å; L186-H189 WeakPolarHBondContact O-CB 3.42Å; L186-H189 PolarHBondContact O-N 3.33Å; L186-T190 PolarHBondContact O-N 2.89Å; L186-T190 VanDerWaalsContact O-N 3.11Å |
| 187 | R | 82.7 | Confident | 79 | Confident | 66 Ų | 66 | 67.7 Ų | 67.7 | 25% | 0.249 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.7 | -13.2 | 172.4 | -62.3 | 175.4 | -176.2 | 175.1 | -1.8 | 114.6 | H185 G191 E192 S205 | H185-R187 PolarHBondContact O-N 2.95Å; H185-R187 VanDerWaalsContact O-N 3.15Å; R187-G191 WeakPolarHBondContact O-CA 3.38Å; R187-G191 PolarHBondContact O-N 3.2Å; R187-G191 VanDerWaalsContact O-N 3.13Å; R187-E192 HydrophobicContact CG-CB 4.36Å; R187-S205 PolarHBondContact NH1-O 2.78Å |
| 188 | T | 75.7 | Confident | 79.1 | Confident | 91 Ų | 91 | 72.3 Ų | 72.3 | 56% | 0.558 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -79.8 | -21.1 | 170 | 69.2 | 0 | 0 | 0 | 0 | 112.7 | H185 L186 | H185-T188 WeakPolarHBondContact O-CB 3.39Å; H185-T188 PolarHBondContact O-N 3.23Å; H185-T188 PolarHBondContact O-OG1 3.1Å; L186-T188 PolarHBondContact O-N 3.1Å; L186-T188 VanDerWaalsContact O-N 3.13Å |
| 189 | H | 78.9 | Confident | 78.9 | Confident | 77 Ų | 77 | 75.2 Ų | 75.2 | 36% | 0.356 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -89.8 | -42.1 | 174.6 | -57.9 | -60.2 | 0 | 0 | 0 | 111.3 | C169 V171 H185 L186 G191 | C169-H189 PolarHBondContact SG-NE2 3.18Å; C169-H189 VanDerWaalsContact SG-NE2 3.41Å; V171-H189 HydrophobicContact CG1-CB 4.5Å; H185-H189 AromaticContact CD2-NE2 3.93Å; H185-H189 AromaticContact CE1-NE2 3.56Å; H185-H189 AromaticContact NE2-CD2 3.83Å; H185-H189 AromaticContact NE2-NE2 3.04Å; H185-H189 PolarHBondContact NE2-NE2 3.44Å; L186-H189 WeakPolarHBondContact O-CB 3.42Å; L186-H189 PolarHBondContact O-N 3.33Å; H189-G191 VanDerWaalsContact C-N 3.3Å; H189-G191 PolarHBondContact O-N 3.31Å |
| 190 | T | 76.4 | Confident | 79.2 | Confident | 82 Ų | 82 | 73.4 Ų | 73.4 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -78.3 | -13 | 176.5 | 67.5 | 0 | 0 | 0 | 0 | 113.7 | L186 E192 | L186-T190 PolarHBondContact O-N 2.89Å; L186-T190 VanDerWaalsContact O-N 3.11Å; T190-E192 VanDerWaalsContact CB-OE1 3.26Å; T190-E192 WeakPolarHBondContact CB-OE1 3.49Å; T190-E192 PolarHBondContact O-N 3.15Å; T190-E192 VanDerWaalsContact O-N 3.15Å; T190-E192 WeakPolarHBondContact OG1-CG 3.45Å; T190-E192 PolarHBondContact OG1-OE1 3.16Å |
| 191 | G | 74.9 | Confident | 79.5 | Confident | 47 Ų | 47 | 75.2 Ų | 75.2 | 49% | 0.485 | 41% | 0.414 | S | S | . | . | trans | 72.1 | -1.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R187 H189 K193 | R187-G191 WeakPolarHBondContact O-CA 3.38Å; R187-G191 PolarHBondContact O-N 3.2Å; R187-G191 VanDerWaalsContact O-N 3.13Å; H189-G191 VanDerWaalsContact C-N 3.3Å; H189-G191 PolarHBondContact O-N 3.31Å; G191-K193 PolarHBondContact O-N 2.83Å | ||
| 192 | E | 76.5 | Confident | 79.7 | Confident | 100 Ų | 100 | 77.7 Ų | 77.7 | 47% | 0.467 | 42% | 0.421 | S | S | . | . | trans | -57.3 | 132.6 | -177.9 | -75.6 | 163.7 | -133.1 | 0 | 0 | 113 | R187 T190 P194 | R187-E192 HydrophobicContact CG-CB 4.36Å; T190-E192 VanDerWaalsContact CB-OE1 3.26Å; T190-E192 WeakPolarHBondContact CB-OE1 3.49Å; T190-E192 PolarHBondContact O-N 3.15Å; T190-E192 VanDerWaalsContact O-N 3.15Å; T190-E192 WeakPolarHBondContact OG1-CG 3.45Å; T190-E192 PolarHBondContact OG1-OE1 3.16Å; E192-P194 HydrophobicContact CB-CG 4.5Å | ||
| 193 | K | 80 | Confident | 79.7 | Confident | 138 Ų | 138 | 78.7 Ų | 78.7 | 60% | 0.6 | 43% | 0.432 | S | S | * | . | trans | -126.3 | 73.8 | 176.7 | -66.8 | 166.3 | -172.9 | 170 | 0 | 110.2 | G191 Y195 A203 C204 | G191-K193 PolarHBondContact O-N 2.83Å; K193-Y195 PolarHBondContact O-N 3.19Å; K193-A203 HydrophobicContact CB-CB 3.77Å; K193-A203 HydrophobicContact CD-CB 4.22Å; K193-C204 CarbonylContact C-O 3.34Å; K193-C204 WeakPolarHBondContact CA-O 3.43Å | ||
| 194 | P | 78.9 | Confident | 79.6 | Confident | 67 Ų | 67 | 74.5 Ų | 74.5 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | trans | -67.1 | -9.5 | -171.9 | -20.8 | 34.7 | 0 | 0 | 0 | 114.8 | E192 | E192-P194 HydrophobicContact CB-CG 4.5Š| ||
| 195 | Y | 80.7 | Confident | 79.4 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 25% | 0.251 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 89.9 | -175.5 | -49.6 | -65.9 | 0 | 0 | 0 | 110.3 | K193 A203 C204 S206 M207 | K193-Y195 PolarHBondContact O-N 3.19Å; Y195-A203 WeakPolarHBondContact O-CA 3.1Å; Y195-C204 PolarHBondContact N-O 2.86Å; Y195-C204 VanDerWaalsContact N-O 3.17Å; Y195-C204 PolarHBondContact O-N 2.95Å; Y195-S206 VanDerWaalsContact CD2-C 3.44Å; Y195-M207 HydrophobicContact CD1-CB 4.39Å; Y195-M207 HydrophobicContact CD1-CE 3.57Å; Y195-M207 HydrophobicContact CD1-SD 4.37Å; Y195-M207 HydrophobicContact CD2-CB 4.46Å; Y195-M207 VanDerWaalsContact CD2-N 3.28Å; Y195-M207 HydrophobicContact CE1-CB 4.27Å; Y195-M207 HydrophobicContact CE1-CE 3.73Å; Y195-M207 HydrophobicContact CE2-CB 4.31Å; Y195-M207 VanDerWaalsContact CE2-N 3.34Å; Y195-M207 HydrophobicContact CG-CB 4.48Å; Y195-M207 HydrophobicContact CG-CE 4.49Å |
| 196 | G | 79.2 | Confident | 79.5 | Confident | 42 Ų | 42 | 70 Ų | 70 | 43% | 0.433 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 151.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L210 | G196-L210 WeakPolarHBondContact O-CD1 3.48Å; G196-L210 VanDerWaalsContact O-CD2 3.3Å; G196-L210 WeakPolarHBondContact O-CD2 3.34Å |
| 197 | C | 83.4 | Confident | 79 | Confident | 17 Ų | 17 | 71 Ų | 71 | 12% | 0.115 | 41% | 0.406 | C | S | . | . | trans | -85.3 | 137.7 | 166.9 | -172.8 | 0 | 0 | 0 | 0 | 110 | Q199 C200 Y202 L210 H213 H217 | C197-Q199 VanDerWaalsContact C-N 3.29Å; C197-Q199 PolarHBondContact SG-N 3.07Å; C197-Q199 VanDerWaalsContact SG-N 3.43Å; C197-C200 WeakPolarHBondContact CB-O 3.45Å; C197-Y202 WeakPolarHBondContact CB-O 3.43Å; C197-Y202 PolarHBondContact N-O 3.06Å; C197-L210 HydrophobicContact CB-CD1 3.87Å; C197-H213 PolarHBondContact SG-NE2 3Å; C197-H213 VanDerWaalsContact SG-NE2 3.43Å; C197-H217 PolarHBondContact SG-NE2 2.72Å; C197-H217 VanDerWaalsContact SG-NE2 3.38Å | ||
| 198 | T | 79.8 | Confident | 78.5 | Confident | 129 Ų | 129 | 70 Ų | 70 | 79% | 0.791 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -78.7 | -13.1 | 175.6 | 49.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 199 | Q | 76.8 | Confident | 78.6 | Confident | 129 Ų | 129 | 68 Ų | 68 | 60% | 0.603 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -109.1 | -7.8 | -174.2 | -67.1 | 170.9 | -13.3 | 0 | 0 | 113.3 | C197 H217 | C197-Q199 VanDerWaalsContact C-N 3.29Å; C197-Q199 PolarHBondContact SG-N 3.07Å; C197-Q199 VanDerWaalsContact SG-N 3.43Å; Q199-H217 PolarHBondContact OE1-CD2 3.35Å; Q199-H217 VanDerWaalsContact OE1-CD2 3.29Å |
| 200 | C | 83.1 | Confident | 78.5 | Confident | 48 Ų | 48 | 65 Ų | 65 | 32% | 0.324 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -163.3 | 169.3 | 170.3 | 73.4 | 0 | 0 | 0 | 0 | 111 | C197 Y202 H213 H217 | C197-C200 WeakPolarHBondContact CB-O 3.45Å; C200-Y202 PolarHBondContact O-N 3.48Å; C200-Y202 VanDerWaalsContact SG-CB 3.54Å; C200-H213 PolarHBondContact SG-CE1 2.83Å; C200-H213 PolarHBondContact SG-NE2 3.24Å; C200-H217 VanDerWaalsContact SG-CE1 3.55Å; C200-H217 PolarHBondContact SG-NE2 2.89Å |
| 201 | S | 82.3 | Confident | 78.4 | Confident | 133 Ų | 133 | 68.9 Ų | 68.9 | 93% | 0.93 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -68.3 | 13.3 | -179.9 | 55.6 | 0 | 0 | 0 | 0 | 116.2 | A203 | S201-A203 PolarHBondContact O-N 3.13Š|
| 202 | Y | 82.6 | Confident | 78.1 | Confident | 92 Ų | 92 | 73.8 Ų | 73.8 | 36% | 0.361 | 40% | 0.398 | S | S | . | . | trans | -74.8 | 122.3 | 176.3 | 179.1 | -95.6 | 0 | 0 | 0 | 111.4 | C197 C200 C204 H213 | C197-Y202 WeakPolarHBondContact CB-O 3.43Å; C197-Y202 PolarHBondContact N-O 3.06Å; C200-Y202 PolarHBondContact O-N 3.48Å; C200-Y202 VanDerWaalsContact SG-CB 3.54Å; Y202-C204 HydrophobicContact CE1-CB 3.78Å; Y202-H213 VanDerWaalsContact CB-CE1 3.45Å; Y202-H213 WeakPolarHBondContact CB-CE1 3.47Å; Y202-H213 WeakPolarHBondContact CB-NE2 3.38Å; Y202-H213 HydrophobicContact CD1-CB 3.95Å; Y202-H213 AromaticContact CD1-CD2 3.42Å; Y202-H213 VanDerWaalsContact CD1-CD2 3.42Å; Y202-H213 WeakPolarHBondContact CD1-CD2 3.38Å; Y202-H213 AromaticContact CD1-CE1 3.77Å; Y202-H213 AromaticContact CD1-CG 3.35Å; Y202-H213 AromaticContact CD1-ND1 3.58Å; Y202-H213 AromaticContact CD1-NE2 3.68Å; Y202-H213 HydrophobicContact CE1-CB 3.68Å; Y202-H213 AromaticContact CE1-CG 3.62Å; Y202-H213 AromaticContact CE1-ND1 3.98Å; Y202-H213 AromaticContact CG-CE1 3.55Å; Y202-H213 AromaticContact CG-CG 3.92Å; Y202-H213 AromaticContact CG-ND1 3.65Å; Y202-H213 AromaticContact CG-NE2 3.77Å | ||
| 203 | A | 80.4 | Confident | 78.1 | Confident | 38 Ų | 38 | 70.5 Ų | 70.5 | 31% | 0.314 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 146.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K193 Y195 S201 | K193-A203 HydrophobicContact CB-CB 3.77Å; K193-A203 HydrophobicContact CD-CB 4.22Å; Y195-A203 WeakPolarHBondContact O-CA 3.1Å; S201-A203 PolarHBondContact O-N 3.13Å |
| 204 | C | 78.9 | Confident | 77.9 | Confident | 8 Ų | 8 | 67.3 Ų | 67.3 | 5% | 0.054 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 163.5 | -177.1 | 71.1 | 0 | 0 | 0 | 0 | 113.9 | K193 Y195 Y202 S206 N209 L210 | K193-C204 CarbonylContact C-O 3.34Å; K193-C204 WeakPolarHBondContact CA-O 3.43Å; Y195-C204 PolarHBondContact N-O 2.86Å; Y195-C204 VanDerWaalsContact N-O 3.17Å; Y195-C204 PolarHBondContact O-N 2.95Å; Y202-C204 HydrophobicContact CE1-CB 3.78Å; C204-S206 PolarHBondContact SG-O 3.3Å; C204-S206 VanDerWaalsContact SG-O 3.4Å; C204-N209 HydrophobicContact CB-CB 4.2Å; C204-L210 PolarHBondContact SG-N 3.1Å; C204-L210 VanDerWaalsContact SG-N 3.41Å |
| 205 | S | 77.1 | Confident | 77.9 | Confident | 29 Ų | 29 | 70.3 Ų | 70.3 | 20% | 0.203 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -83.7 | -5.6 | -175.3 | 56.4 | 0 | 0 | 0 | 0 | 115.1 | R187 | R187-S205 PolarHBondContact NH1-O 2.78Š|
| 206 | S | 79.3 | Confident | 77.3 | Confident | 14 Ų | 14 | 72.8 Ų | 72.8 | 10% | 0.098 | 39% | 0.387 | C | S | . | . | trans | -144.3 | 124.4 | -171.7 | 175.6 | 0 | 0 | 0 | 0 | 112.7 | R184 Y195 C204 G208 N209 L210 | R184-S206 PolarHBondContact NH1-OG 3.03Å; Y195-S206 VanDerWaalsContact CD2-C 3.44Å; C204-S206 PolarHBondContact SG-O 3.3Å; C204-S206 VanDerWaalsContact SG-O 3.4Å; S206-G208 VanDerWaalsContact C-N 3.25Å; S206-G208 PolarHBondContact O-N 3.27Å; S206-G208 VanDerWaalsContact O-N 3.13Å; S206-N209 WeakPolarHBondContact O-CA 3.41Å; S206-N209 WeakPolarHBondContact O-CB 3.22Å; S206-N209 PolarHBondContact O-N 3.49Å; S206-L210 PolarHBondContact O-N 2.92Å | ||
| 207 | M | 72.2 | Confident | 77.1 | Confident | 81 Ų | 81 | 73.3 Ų | 73.3 | 40% | 0.399 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -52.6 | -36.9 | -178.8 | -179.3 | 60.8 | 79.6 | 0 | 0 | 113.8 | Y195 N209 L210 R211 | Y195-M207 HydrophobicContact CD1-CB 4.39Å; Y195-M207 HydrophobicContact CD1-CE 3.57Å; Y195-M207 HydrophobicContact CD1-SD 4.37Å; Y195-M207 HydrophobicContact CD2-CB 4.46Å; Y195-M207 VanDerWaalsContact CD2-N 3.28Å; Y195-M207 HydrophobicContact CE1-CB 4.27Å; Y195-M207 HydrophobicContact CE1-CE 3.73Å; Y195-M207 HydrophobicContact CE2-CB 4.31Å; Y195-M207 VanDerWaalsContact CE2-N 3.34Å; Y195-M207 HydrophobicContact CG-CB 4.48Å; Y195-M207 HydrophobicContact CG-CE 4.49Å; M207-N209 VanDerWaalsContact C-N 3.26Å; M207-N209 PolarHBondContact O-N 3.5Å; M207-L210 PolarHBondContact O-N 2.92Å; M207-L210 VanDerWaalsContact O-N 3.15Å; M207-L210 HydrophobicContact SD-CD2 4.17Å; M207-R211 PolarHBondContact O-N 3Å; M207-R211 HydrophobicContact SD-CG 4.46Å |
| 208 | G | 72.3 | Confident | 76.3 | Confident | 45 Ų | 45 | 76.6 Ų | 76.6 | 46% | 0.464 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.9 | -28.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S206 R212 | S206-G208 VanDerWaalsContact C-N 3.25Å; S206-G208 PolarHBondContact O-N 3.27Å; S206-G208 VanDerWaalsContact O-N 3.13Å; G208-R212 WeakPolarHBondContact O-CB 3.43Å; G208-R212 PolarHBondContact O-N 2.84Å; G208-R212 VanDerWaalsContact O-N 3.15Å |
| 209 | N | 75.9 | Confident | 75.1 | Confident | 49 Ų | 49 | 78 Ų | 78 | 26% | 0.262 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -74.6 | -39.2 | 172.8 | -71.8 | -26.3 | 0 | 0 | 0 | 111.1 | C204 S206 M207 R212 H213 | C204-N209 HydrophobicContact CB-CB 4.2Å; S206-N209 WeakPolarHBondContact O-CA 3.41Å; S206-N209 WeakPolarHBondContact O-CB 3.22Å; S206-N209 PolarHBondContact O-N 3.49Å; M207-N209 VanDerWaalsContact C-N 3.26Å; M207-N209 PolarHBondContact O-N 3.5Å; N209-R212 PolarHBondContact O-N 2.91Å; N209-R212 PolarHBondContact OD1-NH2 3.48Å; N209-H213 VanDerWaalsContact O-CB 3.29Å; N209-H213 WeakPolarHBondContact O-CB 3.37Å; N209-H213 PolarHBondContact O-N 2.95Å |
| 210 | L | 76.8 | Confident | 73.4 | Confident | 12 Ų | 12 | 77.3 Ų | 77.3 | 6% | 0.063 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.1 | -49.8 | 174.3 | 177.1 | 59.6 | 0 | 0 | 0 | 111 | G196 C197 C204 S206 M207 R212 H213 Q214 | G196-L210 WeakPolarHBondContact O-CD1 3.48Å; G196-L210 VanDerWaalsContact O-CD2 3.3Å; G196-L210 WeakPolarHBondContact O-CD2 3.34Å; C197-L210 HydrophobicContact CB-CD1 3.87Å; C204-L210 PolarHBondContact SG-N 3.1Å; C204-L210 VanDerWaalsContact SG-N 3.41Å; S206-L210 PolarHBondContact O-N 2.92Å; M207-L210 PolarHBondContact O-N 2.92Å; M207-L210 VanDerWaalsContact O-N 3.15Å; M207-L210 HydrophobicContact SD-CD2 4.17Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 3.45Å; L210-H213 CarbonylContact O-C 3.56Å; L210-H213 WeakPolarHBondContact O-CB 3.41Å; L210-H213 PolarHBondContact O-N 3.39Å; L210-Q214 HydrophobicContact CD1-CG 4.02Å; L210-Q214 HydrophobicContact CG-CG 4.35Å; L210-Q214 WeakPolarHBondContact O-CG 3.46Å; L210-Q214 PolarHBondContact O-N 3.41Å |
| 211 | R | 75.3 | Confident | 70.8 | Confident | 165 Ų | 165 | 79.6 Ų | 79.6 | 62% | 0.623 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -58.1 | -42.1 | 176.8 | -70.1 | -177.3 | 179.3 | -164.2 | -2.1 | 112.5 | M207 R215 | M207-R211 PolarHBondContact O-N 3Å; M207-R211 HydrophobicContact SD-CG 4.46Å; R211-R215 PolarHBondContact O-N 3.36Å |
| 212 | R | 68.8 | Low | 68.5 | Low | 149 Ų | 149 | 78.3 Ų | 78.3 | 56% | 0.562 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65 | -38.8 | 174.6 | 175.4 | 168.7 | 56.8 | 175.4 | -4.7 | 112.3 | G208 N209 L210 | G208-R212 WeakPolarHBondContact O-CB 3.43Å; G208-R212 PolarHBondContact O-N 2.84Å; G208-R212 VanDerWaalsContact O-N 3.15Å; N209-R212 PolarHBondContact O-N 2.91Å; N209-R212 PolarHBondContact OD1-NH2 3.48Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 3.45Å |
| 213 | H | 76.4 | Confident | 66 | Low | 32 Ų | 32 | 85.7 Ų | 85.7 | 15% | 0.148 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68.9 | -41.6 | 177.4 | 166.5 | 81.2 | 0 | 0 | 0 | 112.2 | C197 C200 Y202 N209 L210 R215 M216 H217 | C197-H213 PolarHBondContact SG-NE2 3Å; C197-H213 VanDerWaalsContact SG-NE2 3.43Å; C200-H213 PolarHBondContact SG-CE1 2.83Å; C200-H213 PolarHBondContact SG-NE2 3.24Å; Y202-H213 VanDerWaalsContact CB-CE1 3.45Å; Y202-H213 WeakPolarHBondContact CB-CE1 3.47Å; Y202-H213 WeakPolarHBondContact CB-NE2 3.38Å; Y202-H213 HydrophobicContact CD1-CB 3.95Å; Y202-H213 AromaticContact CD1-CD2 3.42Å; Y202-H213 VanDerWaalsContact CD1-CD2 3.42Å; Y202-H213 WeakPolarHBondContact CD1-CD2 3.38Å; Y202-H213 AromaticContact CD1-CE1 3.77Å; Y202-H213 AromaticContact CD1-CG 3.35Å; Y202-H213 AromaticContact CD1-ND1 3.58Å; Y202-H213 AromaticContact CD1-NE2 3.68Å; Y202-H213 HydrophobicContact CE1-CB 3.68Å; Y202-H213 AromaticContact CE1-CG 3.62Å; Y202-H213 AromaticContact CE1-ND1 3.98Å; Y202-H213 AromaticContact CG-CE1 3.55Å; Y202-H213 AromaticContact CG-CG 3.92Å; Y202-H213 AromaticContact CG-ND1 3.65Å; Y202-H213 AromaticContact CG-NE2 3.77Å; N209-H213 VanDerWaalsContact O-CB 3.29Å; N209-H213 WeakPolarHBondContact O-CB 3.37Å; N209-H213 PolarHBondContact O-N 2.95Å; L210-H213 CarbonylContact O-C 3.56Å; L210-H213 WeakPolarHBondContact O-CB 3.41Å; L210-H213 PolarHBondContact O-N 3.39Å; H213-R215 PolarHBondContact O-N 3.26Å; H213-M216 VanDerWaalsContact O-CB 3.22Å; H213-M216 WeakPolarHBondContact O-CB 3.45Å; H213-M216 WeakPolarHBondContact O-CG 3.37Å; H213-M216 PolarHBondContact O-N 2.8Å; H213-H217 AromaticContact CD2-NE2 3.77Å; H213-H217 AromaticContact CE1-CE1 3.96Å; H213-H217 AromaticContact CE1-NE2 3.53Å; H213-H217 AromaticContact NE2-CD2 3.89Å; H213-H217 AromaticContact NE2-CE1 3.78Å; H213-H217 AromaticContact NE2-NE2 2.95Å; H213-H217 PolarHBondContact NE2-NE2 3.14Å |
| 214 | Q | 76.5 | Confident | 63.6 | Low | 70 Ų | 70 | 93.4 Ų | 93.4 | 33% | 0.327 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.7 | -30.7 | 177.6 | -74.9 | 167.8 | -42.9 | 0 | 0 | 112.9 | L210 M216 H217 A218 | L210-Q214 HydrophobicContact CD1-CG 4.02Å; L210-Q214 HydrophobicContact CG-CG 4.35Å; L210-Q214 WeakPolarHBondContact O-CG 3.46Å; L210-Q214 PolarHBondContact O-N 3.41Å; Q214-M216 PolarHBondContact O-N 3.06Å; Q214-H217 PolarHBondContact O-N 3.31Å; Q214-A218 PolarHBondContact O-N 2.84Å |
| 215 | R | 78.1 | Confident | 61.2 | Low | 130 Ų | 130 | 97.5 Ų | 97.5 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -18.1 | 172.1 | -68 | -170 | -65 | -116.4 | 11.8 | 114.2 | R211 H213 | R211-R215 PolarHBondContact O-N 3.36Å; H213-R215 PolarHBondContact O-N 3.26Å |
| 216 | M | 67.6 | Low | 59 | Low | 116 Ų | 116 | 104.5 Ų | 104.5 | 57% | 0.571 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -74.4 | -34.8 | 174.4 | -59.8 | -60.9 | -56.7 | 0 | 0 | 112.2 | H213 Q214 Q219 | H213-M216 VanDerWaalsContact O-CB 3.22Å; H213-M216 WeakPolarHBondContact O-CB 3.45Å; H213-M216 WeakPolarHBondContact O-CG 3.37Å; H213-M216 PolarHBondContact O-N 2.8Å; Q214-M216 PolarHBondContact O-N 3.06Å; M216-Q219 PolarHBondContact O-N 3.27Å |
| 217 | H | 75 | Confident | 56.8 | Low | 54 Ų | 54 | 113.6 Ų | 113.6 | 25% | 0.25 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -73.6 | -31.8 | 177.5 | -58.3 | -51.8 | 0 | 0 | 0 | 111.8 | C197 Q199 C200 H213 Q214 Q219 V220 | C197-H217 PolarHBondContact SG-NE2 2.72Å; C197-H217 VanDerWaalsContact SG-NE2 3.38Å; Q199-H217 PolarHBondContact OE1-CD2 3.35Å; Q199-H217 VanDerWaalsContact OE1-CD2 3.29Å; C200-H217 VanDerWaalsContact SG-CE1 3.55Å; C200-H217 PolarHBondContact SG-NE2 2.89Å; H213-H217 AromaticContact CD2-NE2 3.77Å; H213-H217 AromaticContact CE1-CE1 3.96Å; H213-H217 AromaticContact CE1-NE2 3.53Å; H213-H217 AromaticContact NE2-CD2 3.89Å; H213-H217 AromaticContact NE2-CE1 3.78Å; H213-H217 AromaticContact NE2-NE2 2.95Å; H213-H217 PolarHBondContact NE2-NE2 3.14Å; Q214-H217 PolarHBondContact O-N 3.31Å; H217-Q219 PolarHBondContact O-N 3.12Å; H217-V220 PolarHBondContact O-N 3.46Å |
| 218 | A | 66.6 | Low | 54.8 | Low | 86 Ų | 86 | 116.6 Ų | 116.6 | 71% | 0.711 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q214 | Q214-A218 PolarHBondContact O-N 2.84Š|
| 219 | Q | 55.8 | Low | 52.9 | Low | 159 Ų | 159 | 123.8 Ų | 123.8 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 9.8 | 176.8 | -67.2 | -171.2 | -13.2 | 0 | 0 | 114.1 | M216 H217 | M216-Q219 PolarHBondContact O-N 3.27Å; H217-Q219 PolarHBondContact O-N 3.12Å |
| 220 | V | 40.3 | Very low | 50.6 | Low | 114 Ų | 114 | 126.3 Ų | 126.3 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | trans | -123.9 | 81 | 179 | -168.6 | 0 | 0 | 0 | 0 | 111.4 | H217 P222 | H217-V220 PolarHBondContact O-N 3.46Å; V220-P222 WeakPolarHBondContact O-CD 3.49Å | ||
| 221 | A | 28.1 | Very low | 48.2 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 79% | 0.793 | 68% | 0.678 | S | S | * | * | trans | -96.3 | 102.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | R223 | A221-R223 PolarHBondContact O-N 3.24Š| ||
| 222 | P | 34.1 | Very low | 45.9 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 68% | 0.682 | 69% | 0.689 | S | S | * | * | trans | -70.5 | 128.7 | 173.3 | 29.4 | -31 | 0 | 0 | 0 | 108.6 | V220 K224 | V220-P222 WeakPolarHBondContact O-CD 3.49Å; P222-K224 PolarHBondContact O-N 2.92Å | ||
| 223 | R | 30.8 | Very low | 43.6 | Very low | 248 Ų | 248 | 129.4 Ų | 129.4 | 94% | 0.936 | 69% | 0.691 | S | S | * | * | trans | -58.9 | 110.9 | 165.8 | -69.7 | -176.5 | 176.1 | -138 | -0.8 | 107.6 | A221 A225 | A221-R223 PolarHBondContact O-N 3.24Å; R223-A225 PolarHBondContact O-N 3.16Å | ||
| 224 | K | 30.3 | Very low | 41.3 | Very low | 200 Ų | 200 | 135.4 Ų | 135.4 | 87% | 0.87 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 120 | 162 | -76.5 | -172.9 | 175.8 | -176.9 | 0 | 106.2 | P222 | P222-K224 PolarHBondContact O-N 2.92Š|
| 225 | A | 28 | Very low | 38.8 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 128.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | R223 | R223-A225 PolarHBondContact O-N 3.16Š|
| 226 | E | 30.6 | Very low | 36.3 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60 | 136 | 163.2 | -74 | 155 | 141.3 | 0 | 0 | 108.7 | ||
| 227 | K | 34.4 | Very low | 34.2 | Very low | 204 Ų | 204 | 146 Ų | 146 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -133.6 | 105.8 | 160.6 | -97.9 | -163.4 | 170.9 | -166.2 | 0 | 106.5 | H229 | K227-H229 PolarHBondContact O-N 3.12Š| ||
| 228 | D | 29.8 | Very low | 32.1 | Very low | 144 Ų | 144 | 148.5 Ų | 148.5 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -69.4 | 124.5 | 172.6 | -49.5 | -67.9 | 0 | 0 | 0 | 109.9 | ||||
| 229 | H | 31.9 | Very low | 30 | Very low | 196 Ų | 196 | 149 Ų | 149 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -155.5 | 144.1 | 132.7 | -118.7 | 55.7 | 0 | 0 | 0 | 112.2 | K227 | K227-H229 PolarHBondContact O-N 3.12Š| ||
| 230 | A | 28.3 | Very low | 28.6 | Very low | 103 Ų | 103 | 146.6 Ų | 146.6 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -85.3 | 156.4 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 231 | G | 26.1 | Very low | 27.9 | Very low | 80 Ų | 80 | 150.4 Ų | 150.4 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 179.9 | 104.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 232 | R | 25.6 | Very low | 27.7 | Very low | 224 Ų | 224 | 153.6 Ų | 153.6 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -66.3 | 168.5 | -176.8 | -169.9 | -178.4 | -173.8 | -151.9 | -0.7 | 114.3 | ||||
| 233 | S | 22.3 | Very low | 27.6 | Very low | 87 Ų | 87 | 153.7 Ų | 153.7 | 61% | 0.608 | 81% | 0.806 | S | S | * | * | trans | 67.5 | 150 | 157.2 | 34.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 234 | E | 26.4 | Very low | 27.4 | Very low | 157 Ų | 157 | 149.4 Ų | 149.4 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | cis | -162.4 | 151.7 | -8.6 | -110.5 | 147.6 | -158.7 | 0 | 0 | 108.2 | ||||
| 235 | E | 25 | Very low | 27.1 | Very low | 181 Ų | 181 | 148.4 Ų | 148.4 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | 47.3 | 171.1 | 149.6 | -56.1 | -167.2 | 151.4 | 0 | 0 | 124.5 | ||||
| 236 | E | 26.2 | Very low | 26.9 | Very low | 184 Ų | 184 | 150.2 Ų | 150.2 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | 77 | 86.9 | 168.9 | -55 | -159.8 | 150.4 | 0 | 0 | 121.3 | ||||
| 237 | E | 23.8 | Very low | 26.9 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | -68.4 | 150.7 | 129.1 | -88.8 | -81 | 154.4 | 0 | 0 | 108.9 | |||||
| 238 | P | 30.7 | Very low | 26.5 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | -154.5 | 148 | 97.3 | 40.2 | -22 | 0 | 0 | 0 | 118.8 | |||||
| 239 | S | 21.8 | Very low | 26.3 | Very low | 97 Ų | 97 | 146.1 Ų | 146.1 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | 63 | 122 | 133.4 | 67.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 240 | S | 25.4 | Very low | 26.1 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | -173.9 | 113.3 | 111.2 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 241 | E | 26.3 | Very low | 26.1 | Very low | 194 Ų | 194 | 145 Ų | 145 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | trans | 66 | 126.2 | 132.1 | -56.7 | -168.2 | 147.3 | 0 | 0 | 123.5 | ||||
| 242 | L | 23.4 | Very low | 26.1 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | -90 | 175.8 | 161 | -60.8 | 166.3 | 0 | 0 | 0 | 109.4 | ||||
| 243 | P | 33.3 | Very low | 26 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | -149.1 | 147.5 | 88.6 | 32.4 | -13 | 0 | 0 | 0 | 117.2 | |||||
| 244 | L | 24.9 | Very low | 26.1 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 56.5 | 150.4 | 139.3 | -56.3 | 165.6 | 0 | 0 | 0 | 118.6 | ||||
| 245 | E | 25.1 | Very low | 25.9 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | cis | -150.6 | 169.3 | 31 | -74.8 | 178.7 | 163.3 | 0 | 0 | 109.1 | ||||
| 246 | D | 23 | Very low | 25.9 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | -166.7 | 180 | -28.6 | -165.1 | 1.3 | 0 | 0 | 0 | 107.7 | ||||
| 247 | H | 32.2 | Very low | 25.7 | Very low | 154 Ų | 154 | 131 Ų | 131 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | 83.3 | 81 | 164.7 | -75.6 | -59.9 | 0 | 0 | 0 | 122.3 | ||||
| 248 | S | 24.2 | Very low | 26.4 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 54% | 0.538 | 77% | 0.768 | S | S | . | * | 28.8 | 127 | 110.8 | 67.6 | 0 | 0 | 0 | 0 | 122 | |||||
| 249 | Y | 27.5 | Very low | 26.1 | Very low | 207 Ų | 207 | 131.1 Ų | 131.1 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | 179.7 | 113 | 111.7 | -112 | -94.7 | 0 | 0 | 0 | 107.1 | |||||
| 250 | L | 26.6 | Very low | 26.3 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 65% | 0.654 | 78% | 0.781 | S | S | * | * | 54.2 | 129.3 | 80 | -64.4 | -176 | 0 | 0 | 0 | 113.1 | |||||
| 251 | Q | 27.6 | Very low | 26.4 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -167.1 | 164.4 | 8.8 | -145.9 | 155.2 | -14.3 | 0 | 0 | 114.2 | ||||
| 252 | T | 26 | Very low | 26.4 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 72.4 | 128.8 | 149.2 | 29.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 253 | A | 23.7 | Very low | 26.6 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | trans | -72.8 | 171.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 254 | G | 24.1 | Very low | 26.3 | Very low | 83 Ų | 83 | 128.4 Ų | 128.4 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | 176 | 131.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 255 | S | 24 | Very low | 26.2 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -118.6 | 136.7 | -171.8 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 256 | A | 24.7 | Very low | 26 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 88% | 0.884 | 78% | 0.783 | S | S | * | * | trans | -176.7 | 148.1 | 148.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 257 | G | 21.2 | Very low | 26.3 | Very low | 71 Ų | 71 | 126.6 Ų | 126.6 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | -119.3 | -157.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 258 | P | 38.7 | Very low | 26 | Very low | 116 Ų | 116 | 125 Ų | 125 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | cis | -123.7 | -179.1 | -7.4 | 41.8 | -28 | 0 | 0 | 0 | 112.6 | ||||
| 259 | D | 24.9 | Very low | 26 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -165.7 | 150.5 | 139.5 | -103.2 | -28.2 | 0 | 0 | 0 | 110.8 | ||||
| 260 | S | 24.7 | Very low | 25.7 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -132.1 | 159.8 | -175.7 | -55.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 261 | P | 28.2 | Very low | 25.7 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | -142.6 | 155.6 | 80.8 | 33 | -14.4 | 0 | 0 | 0 | 115.8 | |||||
| 262 | L | 27.1 | Very low | 25.6 | Very low | 158 Ų | 158 | 122.8 Ų | 122.8 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -78.1 | 167.2 | 164.3 | -65.6 | 168.2 | 0 | 0 | 0 | 110.4 | ||||
| 263 | P | 26.8 | Very low | 25.7 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | -134.2 | 151.6 | 95.7 | 36.2 | -26.5 | 0 | 0 | 0 | 114.2 | |||||
| 264 | A | 26.1 | Very low | 25.8 | Very low | 90 Ų | 90 | 123 Ų | 123 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | -73.4 | 152.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 265 | L | 23.1 | Very low | 25.8 | Very low | 171 Ų | 171 | 122.2 Ų | 122.2 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | -151.7 | 150.8 | 143.3 | -106.5 | 176.8 | 0 | 0 | 0 | 110.6 | ||||
| 266 | L | 22.7 | Very low | 25.8 | Very low | 148 Ų | 148 | 123.1 Ų | 123.1 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -86 | 131.8 | -168.4 | -66.2 | 99.5 | 0 | 0 | 0 | 113.4 | ||||
| 267 | V | 29 | Very low | 25.8 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 67% | 0.673 | 77% | 0.774 | S | S | * | * | 28.2 | 125.7 | 126.5 | -164.1 | 0 | 0 | 0 | 0 | 117.1 | L269 | V267-L269 HydrophobicContact CG1-CB 4.15Å; V267-L269 HydrophobicContact CG1-CG 4.24Å | |||
| 268 | P | 24.5 | Very low | 26.1 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | -127 | 104.7 | 107.5 | 34.8 | -29.2 | 0 | 0 | 0 | 113.2 | C270 | P268-C270 PolarHBondContact O-N 3.02Š| |||
| 269 | L | 25.2 | Very low | 25.7 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -75.7 | 106.5 | 155.5 | -74.9 | 167.7 | 0 | 0 | 0 | 106.9 | V267 S271 | V267-L269 HydrophobicContact CG1-CB 4.15Å; V267-L269 HydrophobicContact CG1-CG 4.24Å; L269-S271 PolarHBondContact O-N 3.35Å | ||
| 270 | C | 21.6 | Very low | 25.9 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -70.1 | 77.5 | 171.8 | -75.1 | 0 | 0 | 0 | 0 | 111.1 | P268 L272 | P268-C270 PolarHBondContact O-N 3.02Å; C270-L272 PolarHBondContact O-N 3.05Å | ||
| 271 | S | 26.5 | Very low | 26 | Very low | 90 Ų | 90 | 136.8 Ų | 136.8 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | -76.2 | 98.7 | 167.2 | -64.1 | 0 | 0 | 0 | 0 | 109.5 | L269 T273 | L269-S271 PolarHBondContact O-N 3.35Å; S271-T273 PolarHBondContact O-N 3.48Å | ||
| 272 | L | 24.3 | Very low | 25.8 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -74.2 | 86.7 | 170.8 | -88.1 | 163 | 0 | 0 | 0 | 110.5 | C270 L274 | C270-L272 PolarHBondContact O-N 3.05Å; L272-L274 PolarHBondContact O-N 3.28Å | ||
| 273 | T | 28.8 | Very low | 25.9 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 63% | 0.632 | 77% | 0.766 | S | S | * | * | trans | -84.7 | 101.4 | 170.2 | 47.2 | 0 | 0 | 0 | 0 | 110.8 | S271 G275 | S271-T273 PolarHBondContact O-N 3.48Å; T273-G275 PolarHBondContact O-N 3.29Å; T273-G275 VanDerWaalsContact O-N 3.1Å | ||
| 274 | L | 25.1 | Very low | 25.9 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -72.9 | 96.1 | 166.9 | -105.6 | 87.8 | 0 | 0 | 0 | 110.3 | L272 L276 | L272-L274 PolarHBondContact O-N 3.28Å; L274-L276 PolarHBondContact O-N 3.04Å | ||
| 275 | G | 24.6 | Very low | 25.9 | Very low | 65 Ų | 65 | 135.2 Ų | 135.2 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | trans | -80.1 | 89.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T273 R277 | T273-G275 PolarHBondContact O-N 3.29Å; T273-G275 VanDerWaalsContact O-N 3.1Å; G275-R277 PolarHBondContact O-N 3.06Å | ||
| 276 | L | 24.8 | Very low | 26 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | -82.6 | 101.4 | 166.3 | -76.1 | 169.2 | 0 | 0 | 0 | 110 | L274 L278 | L274-L276 PolarHBondContact O-N 3.04Å; L276-L278 PolarHBondContact O-N 3.46Å | ||
| 277 | R | 23.8 | Very low | 26.2 | Very low | 256 Ų | 256 | 131.5 Ų | 131.5 | 97% | 0.966 | 75% | 0.75 | S | S | * | * | trans | -74.7 | 91.5 | 168.6 | -90.5 | -168.8 | 173.1 | -166.7 | -0.9 | 110.6 | G275 | G275-R277 PolarHBondContact O-N 3.06Š| ||
| 278 | L | 26.8 | Very low | 26 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -107.6 | 150.4 | 146.7 | -73.1 | 165.8 | 0 | 0 | 0 | 107.3 | L276 D280 | L276-L278 PolarHBondContact O-N 3.46Å; L278-D280 PolarHBondContact O-N 3.35Å; L278-D280 VanDerWaalsContact O-N 3.11Å |
| 279 | Q | 30.4 | Very low | 26.1 | Very low | 187 Ų | 187 | 133.5 Ų | 133.5 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.5 | 116.7 | -165.2 | -77.7 | 150.1 | -39.2 | 0 | 0 | 112.9 | V281 | Q279-V281 PolarHBondContact O-N 2.94Š|
| 280 | D | 29.2 | Very low | 26 | Very low | 163 Ų | 163 | 135 Ų | 135 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.9 | 38.1 | 166.5 | -50.1 | -29.4 | 0 | 0 | 0 | 118.9 | L278 | L278-D280 PolarHBondContact O-N 3.35Å; L278-D280 VanDerWaalsContact O-N 3.11Å |
| 281 | V | 26.8 | Very low | 26.6 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 62% | 0.618 | 77% | 0.768 | S | S | * | * | trans | -135.9 | 120.5 | 161.4 | -171 | 0 | 0 | 0 | 0 | 112 | Q279 V283 | Q279-V281 PolarHBondContact O-N 2.94Å; V281-V283 HydrophobicContact CG1-CG2 4Å | ||
| 282 | L | 25.5 | Very low | 26.5 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -100 | 121.6 | 166.2 | -90 | 166.8 | 0 | 0 | 0 | 109.8 | ||||
| 283 | V | 28.3 | Very low | 26.8 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 62% | 0.624 | 78% | 0.782 | S | S | * | * | trans | -110.2 | 117.6 | 171.5 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | V281 V285 | V281-V283 HydrophobicContact CG1-CG2 4Å; V283-V285 HydrophobicContact CG1-CG2 4.37Å | ||
| 284 | S | 26.1 | Very low | 27.2 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -101.2 | 139.7 | 169.2 | 51.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 285 | V | 27.4 | Very low | 27.3 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 62% | 0.624 | 79% | 0.794 | S | S | * | * | trans | -125.2 | 126.3 | 175.1 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | V283 | V283-V285 HydrophobicContact CG1-CG2 4.37Š| ||
| 286 | S | 24.2 | Very low | 27.4 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -130.1 | 135.9 | 176.2 | 51.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 287 | T | 26.6 | Very low | 27.5 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | trans | -115.7 | 114.6 | 177.9 | 53 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 288 | S | 25.2 | Very low | 27.7 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -101.8 | 124.7 | 169.3 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 289 | N | 26.7 | Very low | 27.8 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -87.8 | 131.6 | 169.4 | -73.8 | -18.1 | 0 | 0 | 0 | 108.9 | ||||
| 290 | M | 23.1 | Very low | 27.5 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -126.6 | 125.7 | 160.6 | -71.1 | -158 | 78.9 | 0 | 0 | 109.5 | ||||
| 291 | E | 34.6 | Very low | 27.5 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | trans | -79.2 | 120.5 | 178.6 | -60.1 | -177.6 | 140.6 | 0 | 0 | 110.3 | ||||
| 292 | T | 24.8 | Very low | 27.6 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | -143.5 | 148.6 | 159 | 43.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 293 | S | 30.9 | Very low | 27.6 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -80.9 | 143.9 | -165.9 | 45 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 294 | G | 36.2 | Very low | 27.5 | Very low | 83 Ų | 83 | 137.6 Ų | 137.6 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 91.3 | 7.4 | 146.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 295 | V | 27 | Very low | 27.6 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -133.8 | 141.7 | 171.3 | -171.7 | 0 | 0 | 0 | 0 | 112.2 | H297 | V295-H297 PolarHBondContact O-N 3.21Š|
| 296 | K | 27.6 | Very low | 27.6 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | -17.6 | 113.3 | 175.6 | -60.3 | 167.7 | -174.6 | 166.1 | 0 | 115.2 | V298 | K296-V298 PolarHBondContact O-N 3.05Å; K296-V298 VanDerWaalsContact O-N 3.13Å | ||
| 297 | H | 26.5 | Very low | 27.7 | Very low | 199 Ų | 199 | 143.4 Ų | 143.4 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | -52.9 | 120.2 | 163.4 | -73.6 | -85 | 0 | 0 | 0 | 110.7 | V295 | V295-H297 PolarHBondContact O-N 3.21Š| ||
| 298 | V | 26.8 | Very low | 27.8 | Very low | 89 Ų | 89 | 142.2 Ų | 142.2 | 54% | 0.539 | 76% | 0.763 | S | S | . | * | trans | -121.4 | 117.5 | 164.6 | 174.2 | 0 | 0 | 0 | 0 | 105.1 | K296 H300 | K296-V298 PolarHBondContact O-N 3.05Å; K296-V298 VanDerWaalsContact O-N 3.13Å; V298-H300 PolarHBondContact O-N 3.11Å | ||
| 299 | S | 28.8 | Very low | 27.8 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | -66.7 | 105.1 | 173 | -45.8 | 0 | 0 | 0 | 0 | 108.4 | F301 | S299-F301 PolarHBondContact O-N 2.91Š| ||
| 300 | H | 25.8 | Very low | 27.9 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | -73.3 | 104.9 | 172.3 | -88.8 | -105.8 | 0 | 0 | 0 | 108.8 | V298 | V298-H300 PolarHBondContact O-N 3.11Š| ||
| 301 | F | 29.3 | Very low | 28 | Very low | 158 Ų | 158 | 140 Ų | 140 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | trans | -92.6 | 112.1 | 164.5 | -74.7 | -82.9 | 0 | 0 | 0 | 108.6 | S299 F303 | S299-F301 PolarHBondContact O-N 2.91Å; F301-F303 HydrophobicContact CB-CE2 4.29Å | ||
| 302 | Q | 27.3 | Very low | 28.2 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | trans | -94.4 | 122.9 | 172.9 | -170.8 | 161.3 | -43.5 | 0 | 0 | 108.5 | D304 | Q302-D304 PolarHBondContact NE2-OD1 2.82Å; Q302-D304 PolarHBondContact NE2-OD2 3.15Å | ||
| 303 | F | 26.6 | Very low | 28.5 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 77% | 0.772 | 75% | 0.753 | S | S | * | * | trans | -113.6 | 97.8 | 172.7 | -83 | -85.7 | 0 | 0 | 0 | 107.7 | F301 | F301-F303 HydrophobicContact CB-CE2 4.29Š| ||
| 304 | D | 26.4 | Very low | 28.2 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -88.3 | 108.5 | 175 | -67.2 | -34.8 | 0 | 0 | 0 | 108.9 | Q302 | Q302-D304 PolarHBondContact NE2-OD1 2.82Å; Q302-D304 PolarHBondContact NE2-OD2 3.15Å | ||
| 305 | Y | 27.2 | Very low | 27.7 | Very low | 193 Ų | 193 | 148.4 Ų | 148.4 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | trans | -88.8 | 110.8 | 173.3 | 179.7 | -100.9 | 0 | 0 | 0 | 109.2 | Q307 | Y305-Q307 HydrophobicContact CE1-CB 3.79Š| ||
| 306 | V | 28.3 | Very low | 27.6 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | trans | -104.7 | 110.5 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 307 | Q | 26.6 | Very low | 27.4 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 58% | 0.579 | 76% | 0.755 | S | S | * | * | trans | -101.9 | 105.4 | 164.2 | -176.7 | 176.1 | -4.7 | 0 | 0 | 108 | Y305 E309 | Y305-Q307 HydrophobicContact CE1-CB 3.79Å; Q307-E309 PolarHBondContact NE2-OE1 2.87Å | ||
| 308 | S | 28.1 | Very low | 27.5 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -94.8 | 99.6 | 172.5 | 57.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 309 | E | 25.7 | Very low | 27.3 | Very low | 165 Ų | 165 | 148.4 Ų | 148.4 | 77% | 0.771 | 76% | 0.755 | S | S | * | * | trans | -76.7 | 130 | 157.2 | -57 | -103.5 | 146.1 | 0 | 0 | 106.6 | Q307 | Q307-E309 PolarHBondContact NE2-OE1 2.87Š| ||
| 310 | G | 28.6 | Very low | 27.2 | Very low | 75 Ų | 75 | 149.3 Ų | 149.3 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -74.4 | 141.3 | -161.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 311 | N | 24.6 | Very low | 27.1 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | -159.4 | 149.2 | 98 | -131.5 | -18.3 | 0 | 0 | 0 | 111.4 | |||||
| 312 | F | 38.1 | Very low | 27.2 | Very low | 205 Ų | 205 | 152.1 Ų | 152.1 | 90% | 0.899 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -70.9 | 143.2 | 175.4 | -105.7 | -105.1 | 0 | 0 | 0 | 110.7 | ||
| 313 | S | 31 | Very low | 27.1 | Very low | 106 Ų | 106 | 151.8 Ų | 151.8 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 96.4 | 52.4 | 176.4 | -47.6 | 0 | 0 | 0 | 0 | 117.6 | ||
| 314 | N | 26 | Very low | 27.3 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | S | Bend | -168.9 | 154.7 | 125.9 | -98.5 | -43 | 0 | 0 | 0 | 112.1 | P316 | N314-P316 WeakPolarHBondContact O-CD 3.25Š| |
| 315 | R | 26.1 | Very low | 27.4 | Very low | 241 Ų | 241 | 151.2 Ų | 151.2 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -63.2 | 115.4 | -171.2 | -170.9 | -173.4 | -165.5 | -163.9 | 6.8 | 112.1 | ||||
| 316 | P | 23.6 | Very low | 27.5 | Very low | 111 Ų | 111 | 148.3 Ų | 148.3 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -78.8 | 125.6 | 177.5 | 30.4 | -32.6 | 0 | 0 | 0 | 111.4 | N314 I318 | N314-P316 WeakPolarHBondContact O-CD 3.25Å; P316-I318 PolarHBondContact O-N 2.82Å | ||
| 317 | E | 23.5 | Very low | 27.8 | Very low | 169 Ų | 169 | 149 Ų | 149 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -72.6 | 121.2 | 171.7 | -67.8 | -171.9 | 150.8 | 0 | 0 | 111.3 | K319 | E317-K319 PolarHBondContact O-N 3.41Š| ||
| 318 | I | 28.8 | Very low | 28 | Very low | 151 Ų | 151 | 146 Ų | 146 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | -77.7 | 94.8 | -178.8 | -52.9 | 175.4 | 0 | 0 | 0 | 110 | P316 T320 | P316-I318 PolarHBondContact O-N 2.82Å; I318-T320 HydrophobicContact CG2-CG2 3.9Å; I318-T320 PolarHBondContact O-N 3.04Å | ||
| 319 | K | 23.6 | Very low | 28.4 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 70% | 0.7 | 76% | 0.764 | S | S | * | * | trans | -74.6 | 91.2 | 170.4 | -72.6 | -179.9 | -179.5 | 171.8 | 0 | 110.6 | E317 F321 | E317-K319 PolarHBondContact O-N 3.41Å; K319-F321 HydrophobicContact CB-CE2 4.47Å; K319-F321 WeakPolarHBondContact O-CD2 3.49Å; K319-F321 PolarHBondContact O-N 3.41Å | ||
| 320 | T | 25.2 | Very low | 28.9 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -71.3 | 104.5 | 179.5 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | I318 K322 | I318-T320 HydrophobicContact CG2-CG2 3.9Å; I318-T320 PolarHBondContact O-N 3.04Å; T320-K322 PolarHBondContact O-N 3.43Å; T320-K322 VanDerWaalsContact O-N 3.14Å | ||
| 321 | F | 24.6 | Very low | 29.1 | Very low | 199 Ų | 199 | 143.1 Ų | 143.1 | 87% | 0.873 | 74% | 0.738 | S | S | * | * | trans | -80.7 | 91.3 | 174.4 | -82.1 | -86.2 | 0 | 0 | 0 | 112.1 | K319 T323 | K319-F321 HydrophobicContact CB-CE2 4.47Å; K319-F321 WeakPolarHBondContact O-CD2 3.49Å; K319-F321 PolarHBondContact O-N 3.41Å; F321-T323 PolarHBondContact O-N 2.92Å; F321-T323 VanDerWaalsContact O-N 3.12Å | ||
| 322 | K | 31.9 | Very low | 29.8 | Very low | 193 Ų | 193 | 142.7 Ų | 142.7 | 84% | 0.839 | 73% | 0.725 | S | S | * | * | trans | -69.8 | 98.3 | 169.1 | -84.5 | -179.4 | 174.9 | 171.8 | 0 | 111.9 | T320 | T320-K322 PolarHBondContact O-N 3.43Å; T320-K322 VanDerWaalsContact O-N 3.14Å | ||
| 323 | T | 23.9 | Very low | 30.1 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -173.7 | 100.6 | 134.3 | 13 | 0 | 0 | 0 | 0 | 112.8 | F321 | F321-T323 PolarHBondContact O-N 2.92Å; F321-T323 VanDerWaalsContact O-N 3.12Å | ||
| 324 | I | 32.6 | Very low | 30.6 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 75% | 0.749 | 70% | 0.704 | S | S | * | * | trans | -97.1 | 114.4 | 163.5 | -62.9 | 172.9 | 0 | 0 | 0 | 107.6 | ||||
| 325 | Q | 28.3 | Very low | 31.7 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 65% | 0.645 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 130.4 | 173.4 | -75.7 | -171.3 | -0.3 | 0 | 0 | 110.4 | I327 | Q325-I327 PolarHBondContact O-N 3.13Š|
| 326 | T | 29.5 | Very low | 32.8 | Very low | 131 Ų | 131 | 127 Ų | 127 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 116.8 | 174.5 | 36.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 327 | I | 34.4 | Very low | 34.3 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 71% | 0.708 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 133.7 | 169.9 | -59 | 176.5 | 0 | 0 | 0 | 107.9 | Q325 D331 | Q325-I327 PolarHBondContact O-N 3.13Å; I327-D331 HydrophobicContact CG2-CB 4Å |
| 328 | S | 29.5 | Very low | 35.5 | Very low | 61 Ų | 61 | 124.4 Ų | 124.4 | 43% | 0.427 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -85.7 | 151 | 175.9 | 87.8 | 0 | 0 | 0 | 0 | 111.1 | A330 D331 Y332 | S328-A330 PolarHBondContact O-N 3.13Å; S328-A330 VanDerWaalsContact O-N 3.16Å; S328-D331 WeakPolarHBondContact CB-OD2 3.38Å; S328-D331 PolarHBondContact N-OD2 3.45Å; S328-D331 WeakPolarHBondContact O-CB 3.46Å; S328-D331 PolarHBondContact O-N 2.83Å; S328-D331 PolarHBondContact OG-OD2 2.8Å; S328-Y332 PolarHBondContact O-N 2.85Å |
| 329 | I | 36.9 | Very low | 36.7 | Very low | 129 Ų | 129 | 123.1 Ų | 123.1 | 66% | 0.662 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -57 | -34.6 | -177.7 | -62.3 | 170.4 | 0 | 0 | 0 | 111.6 | D331 Y332 E333 | I329-D331 VanDerWaalsContact C-N 3.33Å; I329-D331 PolarHBondContact O-N 2.91Å; I329-Y332 WeakPolarHBondContact O-CB 3.35Å; I329-Y332 PolarHBondContact O-N 2.89Å; I329-Y332 VanDerWaalsContact O-N 3.11Å; I329-E333 HydrophobicContact CG2-CG 4.43Å; I329-E333 PolarHBondContact O-N 2.95Å |
| 330 | A | 36.9 | Very low | 38.2 | Very low | 61 Ų | 61 | 121 Ų | 121 | 50% | 0.504 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.8 | -30.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S328 Y332 H334 | S328-A330 PolarHBondContact O-N 3.13Å; S328-A330 VanDerWaalsContact O-N 3.16Å; A330-Y332 VanDerWaalsContact C-N 3.31Å; A330-H334 WeakPolarHBondContact O-CB 3.35Å; A330-H334 PolarHBondContact O-N 3.49Å |
| 331 | D | 32.3 | Very low | 39.6 | Very low | 92 Ų | 92 | 117.5 Ų | 117.5 | 49% | 0.492 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.4 | -29.7 | 173.6 | -58.3 | -68.4 | 0 | 0 | 0 | 111 | I327 S328 I329 S335 | I327-D331 HydrophobicContact CG2-CB 4Å; S328-D331 WeakPolarHBondContact CB-OD2 3.38Å; S328-D331 PolarHBondContact N-OD2 3.45Å; S328-D331 WeakPolarHBondContact O-CB 3.46Å; S328-D331 PolarHBondContact O-N 2.83Å; S328-D331 PolarHBondContact OG-OD2 2.8Å; I329-D331 VanDerWaalsContact C-N 3.33Å; I329-D331 PolarHBondContact O-N 2.91Å; D331-S335 WeakPolarHBondContact O-CB 3.44Å; D331-S335 PolarHBondContact O-N 3.5Å; D331-S335 PolarHBondContact O-OG 3.23Å |
| 332 | Y | 40.1 | Very low | 40.9 | Very low | 155 Ų | 155 | 112.6 Ų | 112.6 | 61% | 0.608 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73.2 | -47.7 | 174.8 | -171.6 | -107.1 | 0 | 0 | 0 | 111.5 | S328 I329 A330 H334 S335 L336 | S328-Y332 PolarHBondContact O-N 2.85Å; I329-Y332 WeakPolarHBondContact O-CB 3.35Å; I329-Y332 PolarHBondContact O-N 2.89Å; I329-Y332 VanDerWaalsContact O-N 3.11Å; A330-Y332 VanDerWaalsContact C-N 3.31Å; Y332-H334 PolarHBondContact O-N 3.43Å; Y332-S335 CarbonylContact O-C 3.53Å; Y332-S335 WeakPolarHBondContact O-CA 3.37Å; Y332-S335 WeakPolarHBondContact O-CB 3.36Å; Y332-S335 PolarHBondContact O-N 2.8Å; Y332-S335 VanDerWaalsContact O-N 3.13Å; Y332-L336 HydrophobicContact CD1-CD1 3.97Å; Y332-L336 HydrophobicContact CE1-CD1 3.45Å; Y332-L336 VanDerWaalsContact CE1-CD1 3.45Å; Y332-L336 WeakPolarHBondContact O-CB 3.37Å; Y332-L336 PolarHBondContact O-N 2.91Å |
| 333 | E | 44.3 | Very low | 41.8 | Very low | 120 Ų | 120 | 111.5 Ų | 111.5 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -58.3 | -47.9 | 177.2 | -71.9 | 174.5 | 158.1 | 0 | 0 | 112.4 | I329 S335 L336 E337 | I329-E333 HydrophobicContact CG2-CG 4.43Å; I329-E333 PolarHBondContact O-N 2.95Å; E333-S335 VanDerWaalsContact C-N 3.26Å; E333-S335 PolarHBondContact O-N 3.49Å; E333-L336 WeakPolarHBondContact O-CB 3.23Å; E333-L336 PolarHBondContact O-N 3.38Å; E333-E337 PolarHBondContact O-N 3.22Å |
| 334 | H | 41.1 | Very low | 43.3 | Very low | 137 Ų | 137 | 109.6 Ų | 109.6 | 63% | 0.634 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.1 | -33.4 | 176.9 | -165.8 | 72.3 | 0 | 0 | 0 | 112.4 | A330 Y332 L336 H338 | A330-H334 WeakPolarHBondContact O-CB 3.35Å; A330-H334 PolarHBondContact O-N 3.49Å; Y332-H334 PolarHBondContact O-N 3.43Å; H334-L336 VanDerWaalsContact C-N 3.35Å; H334-H338 WeakPolarHBondContact O-CB 3.48Å; H334-H338 PolarHBondContact O-N 3.44Å |
| 335 | S | 49.3 | Very low | 44.4 | Very low | 71 Ų | 71 | 113.2 Ų | 113.2 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.9 | -30.5 | 173.2 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | D331 Y332 E333 Y339 | D331-S335 WeakPolarHBondContact O-CB 3.44Å; D331-S335 PolarHBondContact O-N 3.5Å; D331-S335 PolarHBondContact O-OG 3.23Å; Y332-S335 CarbonylContact O-C 3.53Å; Y332-S335 WeakPolarHBondContact O-CA 3.37Å; Y332-S335 WeakPolarHBondContact O-CB 3.36Å; Y332-S335 PolarHBondContact O-N 2.8Å; Y332-S335 VanDerWaalsContact O-N 3.13Å; E333-S335 VanDerWaalsContact C-N 3.26Å; E333-S335 PolarHBondContact O-N 3.49Å; S335-Y339 VanDerWaalsContact O-CB 3.26Å; S335-Y339 WeakPolarHBondContact O-CB 3.32Å; S335-Y339 PolarHBondContact O-N 3.17Å |
| 336 | L | 49.2 | Very low | 45.9 | Very low | 59 Ų | 59 | 111.6 Ų | 111.6 | 31% | 0.309 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -77.8 | -38.7 | -179.4 | -129.9 | 155.6 | 0 | 0 | 0 | 112.3 | Y332 E333 H334 Y339 K340 | Y332-L336 HydrophobicContact CD1-CD1 3.97Å; Y332-L336 HydrophobicContact CE1-CD1 3.45Å; Y332-L336 VanDerWaalsContact CE1-CD1 3.45Å; Y332-L336 WeakPolarHBondContact O-CB 3.37Å; Y332-L336 PolarHBondContact O-N 2.91Å; E333-L336 WeakPolarHBondContact O-CB 3.23Å; E333-L336 PolarHBondContact O-N 3.38Å; H334-L336 VanDerWaalsContact C-N 3.35Å; L336-Y339 PolarHBondContact O-N 3.44Å; L336-K340 HydrophobicContact CD2-CD 4.46Å; L336-K340 WeakPolarHBondContact O-CG 3.19Å; L336-K340 PolarHBondContact O-N 3.21Å |
| 337 | E | 53.4 | Low | 48 | Very low | 123 Ų | 123 | 111.6 Ų | 111.6 | 58% | 0.575 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.2 | -45.8 | 168.6 | -69.3 | -174.1 | 153.7 | 0 | 0 | 111.2 | E333 Y339 K340 L341 | E333-E337 PolarHBondContact O-N 3.22Å; E337-Y339 VanDerWaalsContact C-N 3.31Å; E337-Y339 PolarHBondContact O-N 3.02Å; E337-K340 PolarHBondContact O-N 3.46Å; E337-L341 WeakPolarHBondContact O-CB 3.36Å; E337-L341 WeakPolarHBondContact O-CG 3.26Å; E337-L341 PolarHBondContact O-N 2.84Å |
| 338 | H | 50.6 | Low | 49.8 | Very low | 102 Ų | 102 | 108.9 Ų | 108.9 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 174 | -179.1 | -94.9 | 0 | 0 | 0 | 111.9 | H334 V342 | H334-H338 WeakPolarHBondContact O-CB 3.48Å; H334-H338 PolarHBondContact O-N 3.44Å; H338-V342 WeakPolarHBondContact O-CB 3.38Å; H338-V342 WeakPolarHBondContact O-CG2 3.26Å; H338-V342 PolarHBondContact O-N 3.42Å |
| 339 | Y | 52.7 | Low | 52.2 | Low | 123 Ų | 123 | 108.9 Ų | 108.9 | 48% | 0.482 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 176 | -176.7 | -97.4 | 0 | 0 | 0 | 112.4 | S335 L336 E337 L341 V342 Y343 | S335-Y339 VanDerWaalsContact O-CB 3.26Å; S335-Y339 WeakPolarHBondContact O-CB 3.32Å; S335-Y339 PolarHBondContact O-N 3.17Å; L336-Y339 PolarHBondContact O-N 3.44Å; E337-Y339 VanDerWaalsContact C-N 3.31Å; E337-Y339 PolarHBondContact O-N 3.02Å; Y339-L341 PolarHBondContact O-N 3.37Å; Y339-V342 PolarHBondContact O-N 2.94Å; Y339-Y343 PolarHBondContact O-N 3.33Å |
| 340 | K | 54.9 | Low | 54.5 | Low | 116 Ų | 116 | 104.8 Ų | 104.8 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.7 | -49 | 175.6 | -73 | 170.8 | 179.3 | 179.2 | 0 | 111.5 | L336 E337 V342 N344 | L336-K340 HydrophobicContact CD2-CD 4.46Å; L336-K340 WeakPolarHBondContact O-CG 3.19Å; L336-K340 PolarHBondContact O-N 3.21Å; E337-K340 PolarHBondContact O-N 3.46Å; K340-V342 VanDerWaalsContact C-N 3.3Å; K340-V342 PolarHBondContact O-N 3.29Å; K340-N344 WeakPolarHBondContact O-CB 3.42Å; K340-N344 PolarHBondContact O-N 3.22Å |
| 341 | L | 56 | Low | 56.9 | Low | 43 Ų | 43 | 102.6 Ų | 102.6 | 23% | 0.225 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -64.8 | -28.3 | 179 | -71.5 | 169.5 | 0 | 0 | 0 | 114 | E337 Y339 P348 | E337-L341 WeakPolarHBondContact O-CB 3.36Å; E337-L341 WeakPolarHBondContact O-CG 3.26Å; E337-L341 PolarHBondContact O-N 2.84Å; Y339-L341 PolarHBondContact O-N 3.37Å; L341-P348 HydrophobicContact CD2-CG 3.93Å |
| 342 | V | 50.1 | Low | 59.4 | Low | 95 Ų | 95 | 103.3 Ų | 103.3 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -86.7 | -36.8 | -179.5 | 169.2 | 0 | 0 | 0 | 0 | 112.2 | H338 Y339 K340 | H338-V342 WeakPolarHBondContact O-CB 3.38Å; H338-V342 WeakPolarHBondContact O-CG2 3.26Å; H338-V342 PolarHBondContact O-N 3.42Å; Y339-V342 PolarHBondContact O-N 2.94Å; K340-V342 VanDerWaalsContact C-N 3.3Å; K340-V342 PolarHBondContact O-N 3.29Å |
| 343 | Y | 51 | Low | 61.5 | Low | 171 Ų | 171 | 101.8 Ų | 101.8 | 67% | 0.671 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -89.3 | -41.9 | -175 | -159.4 | -98 | 0 | 0 | 0 | 113.7 | Y339 R345 | Y339-Y343 PolarHBondContact O-N 3.33Å; Y343-R345 VanDerWaalsContact C-N 3.28Å; Y343-R345 PolarHBondContact O-N 3.01Å |
| 344 | N | 56 | Low | 63.7 | Low | 90 Ų | 90 | 98.4 Ų | 98.4 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -80.5 | -1.8 | -173.8 | -70.2 | 8.2 | 0 | 0 | 0 | 114.6 | K340 E346 | K340-N344 WeakPolarHBondContact O-CB 3.42Å; K340-N344 PolarHBondContact O-N 3.22Å; N344-E346 HydrophobicContact CB-CG 3.92Å; N344-E346 VanDerWaalsContact CB-OE1 3.26Å; N344-E346 WeakPolarHBondContact CB-OE1 3.47Å; N344-E346 PolarHBondContact ND2-OE1 3.15Å; N344-E346 PolarHBondContact O-N 3.45Å |
| 345 | R | 55.3 | Low | 65.8 | Low | 222 Ų | 222 | 97.3 Ų | 97.3 | 84% | 0.838 | 50% | 0.504 | S | S | * | . | trans | 57.5 | 10.4 | -171.8 | -58 | -177.6 | 174 | -173.6 | 0.5 | 115.3 | Y343 K347 | Y343-R345 VanDerWaalsContact C-N 3.28Å; Y343-R345 PolarHBondContact O-N 3.01Å; R345-K347 PolarHBondContact O-N 3.36Å | ||
| 346 | E | 59.7 | Low | 67.6 | Low | 105 Ų | 105 | 98 Ų | 98 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | trans | -60.5 | 126.3 | 177.4 | -72.4 | 168.8 | -140.8 | 0 | 0 | 110.6 | N344 P348 | N344-E346 HydrophobicContact CB-CG 3.92Å; N344-E346 VanDerWaalsContact CB-OE1 3.26Å; N344-E346 WeakPolarHBondContact CB-OE1 3.47Å; N344-E346 PolarHBondContact ND2-OE1 3.15Å; N344-E346 PolarHBondContact O-N 3.45Å; E346-P348 VanDerWaalsContact C-CD 3.45Å; E346-P348 WeakPolarHBondContact O-CD 3.39Å | ||
| 347 | K | 73.6 | Confident | 69.3 | Low | 130 Ų | 130 | 96.3 Ų | 96.3 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | trans | -122.3 | 71.4 | -178.8 | -73.4 | 167.4 | 169 | -170.8 | 0 | 109.2 | R345 H349 A357 S358 | R345-K347 PolarHBondContact O-N 3.36Å; K347-H349 PolarHBondContact O-N 2.81Å; K347-A357 HydrophobicContact CB-CB 3.64Å; K347-A357 HydrophobicContact CD-CB 4.11Å; K347-A357 WeakPolarHBondContact CD-O 3.32Å; K347-A357 HydrophobicContact CG-CB 4.46Å; K347-S358 CarbonylContact C-O 3.55Å | ||
| 348 | P | 72.4 | Confident | 70.7 | Confident | 82 Ų | 82 | 90.8 Ų | 90.8 | 53% | 0.532 | 47% | 0.466 | S | S | . | . | trans | -61.9 | -14.9 | -172.9 | 24.7 | -36 | 0 | 0 | 0 | 114.4 | L341 E346 | L341-P348 HydrophobicContact CD2-CG 3.93Å; E346-P348 VanDerWaalsContact C-CD 3.45Å; E346-P348 WeakPolarHBondContact O-CD 3.39Å | ||
| 349 | H | 81.1 | Confident | 71.8 | Confident | 60 Ų | 60 | 87.3 Ų | 87.3 | 28% | 0.278 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 87.1 | -179.4 | -53 | -53.5 | 0 | 0 | 0 | 111.1 | K347 A357 S358 H360 L361 L364 | K347-H349 PolarHBondContact O-N 2.81Å; H349-A357 CarbonylContact O-C 3.6Å; H349-A357 WeakPolarHBondContact O-CA 3.49Å; H349-S358 WeakPolarHBondContact CB-O 3.45Å; H349-S358 PolarHBondContact N-O 3.18Å; H349-S358 VanDerWaalsContact N-O 3.12Å; H349-S358 PolarHBondContact O-N 3.47Å; H349-H360 VanDerWaalsContact CD2-C 3.5Å; H349-L361 PolarHBondContact CD2-N 2.98Å; H349-L364 HydrophobicContact CB-CB 4.11Å; H349-L364 HydrophobicContact CB-CD2 3.81Å |
| 350 | G | 84.2 | Confident | 72.9 | Confident | 44 Ų | 44 | 85.2 Ų | 85.2 | 45% | 0.454 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 153.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L364 | G350-L364 VanDerWaalsContact O-CD2 3.23Å; G350-L364 WeakPolarHBondContact O-CD2 3.46Å |
| 351 | C | 88.3 | Confident | 73.9 | Confident | 15 Ų | 15 | 83.2 Ų | 83.2 | 10% | 0.101 | 44% | 0.442 | C | S | . | . | trans | -89.4 | 134 | 172 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | H353 C354 Y356 L364 H367 H371 | C351-H353 PolarHBondContact O-N 3.23Å; C351-H353 PolarHBondContact SG-N 2.84Å; C351-C354 WeakPolarHBondContact CB-O 3.45Å; C351-Y356 VanDerWaalsContact CB-O 3.25Å; C351-Y356 WeakPolarHBondContact CB-O 3.44Å; C351-Y356 PolarHBondContact N-O 3.32Å; C351-L364 HydrophobicContact CB-CD1 3.85Å; C351-H367 PolarHBondContact SG-CD2 3.4Å; C351-H367 PolarHBondContact SG-NE2 3.04Å; C351-H371 PolarHBondContact SG-NE2 3.06Å | ||
| 352 | P | 84.1 | Confident | 75 | Confident | 107 Ų | 107 | 86.3 Ų | 86.3 | 70% | 0.695 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -72.9 | -15.6 | 176.3 | 29.9 | -34.7 | 0 | 0 | 0 | 113.4 | L368 | P352-L368 HydrophobicContact CG-CD2 4.46Š|
| 353 | H | 84.3 | Confident | 76.5 | Confident | 122 Ų | 122 | 83.8 Ų | 83.8 | 57% | 0.565 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -105.7 | -8.6 | -174.8 | -55.3 | -61.6 | 0 | 0 | 0 | 114.3 | C351 H371 | C351-H353 PolarHBondContact O-N 3.23Å; C351-H353 PolarHBondContact SG-N 2.84Å; H353-H371 PolarHBondContact O-CE1 3.46Å; H353-H371 VanDerWaalsContact O-CE1 3.25Å |
| 354 | C | 89.5 | Confident | 78 | Confident | 49 Ų | 49 | 76.5 Ų | 76.5 | 33% | 0.331 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -164.5 | 171 | 172.1 | 71.1 | 0 | 0 | 0 | 0 | 112.2 | C351 Y356 H367 H371 | C351-C354 WeakPolarHBondContact CB-O 3.45Å; C354-Y356 PolarHBondContact O-N 3.11Å; C354-H367 PolarHBondContact SG-CE1 3.09Å; C354-H367 PolarHBondContact SG-NE2 3.37Å; C354-H371 WeakPolarHBondContact CB-CE1 3.29Å; C354-H371 PolarHBondContact SG-CE1 2.82Å; C354-H371 PolarHBondContact SG-NE2 3.35Å |
| 355 | A | 86.5 | Confident | 79.3 | Confident | 114 Ų | 114 | 78.7 Ų | 78.7 | 94% | 0.942 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -65.9 | 13.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 356 | Y | 87.1 | Confident | 80.6 | Confident | 85 Ų | 85 | 72.7 Ų | 72.7 | 33% | 0.333 | 39% | 0.394 | S | S | . | . | trans | -74.7 | 126.5 | 173.9 | -178 | -93.6 | 0 | 0 | 0 | 110.7 | C351 C354 H367 | C351-Y356 VanDerWaalsContact CB-O 3.25Å; C351-Y356 WeakPolarHBondContact CB-O 3.44Å; C351-Y356 PolarHBondContact N-O 3.32Å; C354-Y356 PolarHBondContact O-N 3.11Å; Y356-H367 WeakPolarHBondContact CB-NE2 3.48Å; Y356-H367 HydrophobicContact CD1-CB 3.71Å; Y356-H367 AromaticContact CD1-CD2 3.43Å; Y356-H367 VanDerWaalsContact CD1-CD2 3.43Å; Y356-H367 WeakPolarHBondContact CD1-CD2 3.42Å; Y356-H367 AromaticContact CD1-CG 3.27Å; Y356-H367 AromaticContact CD1-ND1 3.72Å; Y356-H367 AromaticContact CD1-NE2 3.95Å; Y356-H367 HydrophobicContact CE1-CB 3.53Å; Y356-H367 AromaticContact CE1-CG 3.66Å; Y356-H367 HydrophobicContact CG-CB 4.44Å; Y356-H367 AromaticContact CG-CD2 3.85Å; Y356-H367 AromaticContact CG-CE1 3.72Å; Y356-H367 AromaticContact CG-CG 3.67Å; Y356-H367 AromaticContact CG-ND1 3.59Å; Y356-H367 AromaticContact CG-NE2 3.88Å | ||
| 357 | A | 84.6 | Confident | 81.8 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 21% | 0.207 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 151.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | K347 H349 | K347-A357 HydrophobicContact CB-CB 3.64Å; K347-A357 HydrophobicContact CD-CB 4.11Å; K347-A357 WeakPolarHBondContact CD-O 3.32Å; K347-A357 HydrophobicContact CG-CB 4.46Å; H349-A357 CarbonylContact O-C 3.6Å; H349-A357 WeakPolarHBondContact O-CA 3.49Å |
| 358 | S | 82.2 | Confident | 82.4 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 158.2 | -174.8 | 69.1 | 0 | 0 | 0 | 0 | 113.3 | K347 H349 H360 L364 | K347-S358 CarbonylContact C-O 3.55Å; H349-S358 WeakPolarHBondContact CB-O 3.45Å; H349-S358 PolarHBondContact N-O 3.18Å; H349-S358 VanDerWaalsContact N-O 3.12Å; H349-S358 PolarHBondContact O-N 3.47Å; S358-H360 VanDerWaalsContact C-N 3.35Å; S358-H360 PolarHBondContact OG-O 2.95Å; S358-L364 PolarHBondContact OG-N 3.17Å |
| 359 | S | 74.3 | Confident | 83 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 21% | 0.21 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -79.4 | -11.4 | 176 | 53.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 360 | H | 75.6 | Confident | 83.2 | Confident | 78 Ų | 78 | 66.8 Ų | 66.8 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -136.5 | 130.3 | -176.8 | -59 | -62.4 | 0 | 0 | 0 | 111.4 | H349 S358 D362 N363 L364 | H349-H360 VanDerWaalsContact CD2-C 3.5Å; S358-H360 VanDerWaalsContact C-N 3.35Å; S358-H360 PolarHBondContact OG-O 2.95Å; H360-D362 PolarHBondContact O-N 3.07Å; H360-D362 VanDerWaalsContact O-N 3.12Å; H360-N363 WeakPolarHBondContact O-CB 3.35Å; H360-N363 PolarHBondContact O-N 2.83Å; H360-L364 PolarHBondContact O-N 3.32Å |
| 361 | L | 75.7 | Confident | 83.2 | Confident | 74 Ų | 74 | 68.9 Ų | 68.9 | 39% | 0.387 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -53.9 | -34.5 | -178.8 | -173.4 | 63.4 | 0 | 0 | 0 | 113.6 | H349 N363 L364 R365 | H349-L361 PolarHBondContact CD2-N 2.98Å; L361-N363 VanDerWaalsContact C-N 3.33Å; L361-N363 PolarHBondContact O-N 3.33Å; L361-L364 HydrophobicContact CD1-CD2 4.48Å; L361-L364 PolarHBondContact O-N 3.49Å; L361-R365 WeakPolarHBondContact O-CG 3.38Å; L361-R365 PolarHBondContact O-N 2.74Å |
| 362 | D | 78.6 | Confident | 82.9 | Confident | 108 Ų | 108 | 72.1 Ų | 72.1 | 58% | 0.578 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -70.8 | -26.7 | 177.9 | -68.3 | -27.1 | 0 | 0 | 0 | 113.6 | H360 R365 R366 | H360-D362 PolarHBondContact O-N 3.07Å; H360-D362 VanDerWaalsContact O-N 3.12Å; D362-R365 IonicContact OD1-NH1 3.14Å; D362-R365 PolarHBondContact OD1-NH1 3.5Å; D362-R365 VanDerWaalsContact OD1-NH1 3.14Å; D362-R366 WeakPolarHBondContact O-CB 3.37Å; D362-R366 PolarHBondContact O-N 3.34Å |
| 363 | N | 82.4 | Confident | 82.8 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 23% | 0.23 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70.6 | -42.3 | 170.9 | -72.2 | -36.5 | 0 | 0 | 0 | 110.3 | H360 L361 R366 H367 | H360-N363 WeakPolarHBondContact O-CB 3.35Å; H360-N363 PolarHBondContact O-N 2.83Å; L361-N363 VanDerWaalsContact C-N 3.33Å; L361-N363 PolarHBondContact O-N 3.33Å; N363-R366 PolarHBondContact O-N 3.41Å; N363-R366 PolarHBondContact OD1-NH2 2.96Å; N363-H367 WeakPolarHBondContact O-CB 3.36Å; N363-H367 PolarHBondContact O-N 2.84Å |
| 364 | L | 83.1 | Confident | 82.7 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 9% | 0.094 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.1 | -51.4 | 172.7 | 177.7 | 61.3 | 0 | 0 | 0 | 111.5 | H349 G350 C351 S358 H360 L361 R366 H367 L368 | H349-L364 HydrophobicContact CB-CB 4.11Å; H349-L364 HydrophobicContact CB-CD2 3.81Å; G350-L364 VanDerWaalsContact O-CD2 3.23Å; G350-L364 WeakPolarHBondContact O-CD2 3.46Å; C351-L364 HydrophobicContact CB-CD1 3.85Å; S358-L364 PolarHBondContact OG-N 3.17Å; H360-L364 PolarHBondContact O-N 3.32Å; L361-L364 HydrophobicContact CD1-CD2 4.48Å; L361-L364 PolarHBondContact O-N 3.49Å; L364-R366 VanDerWaalsContact C-N 3.26Å; L364-R366 PolarHBondContact O-N 3.15Å; L364-H367 CarbonylContact O-C 3.41Å; L364-H367 WeakPolarHBondContact O-CA 3.44Å; L364-H367 WeakPolarHBondContact O-CB 3.48Å; L364-H367 PolarHBondContact O-N 3.32Å; L364-L368 HydrophobicContact CD1-CD2 4.42Å; L364-L368 HydrophobicContact CD1-CG 4.3Å; L364-L368 HydrophobicContact CG-CD1 4.42Å; L364-L368 HydrophobicContact CG-CG 4.41Å; L364-L368 WeakPolarHBondContact O-CG 3.45Å; L364-L368 PolarHBondContact O-N 3.43Å |
| 365 | R | 82.4 | Confident | 82.6 | Confident | 136 Ų | 136 | 72.3 Ų | 72.3 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.1 | -39.4 | 176.5 | -74.6 | 171 | 171.4 | 162 | -5.2 | 113 | L361 D362 | L361-R365 WeakPolarHBondContact O-CG 3.38Å; L361-R365 PolarHBondContact O-N 2.74Å; D362-R365 IonicContact OD1-NH1 3.14Å; D362-R365 PolarHBondContact OD1-NH1 3.5Å; D362-R365 VanDerWaalsContact OD1-NH1 3.14Å |
| 366 | R | 83.1 | Confident | 82.4 | Confident | 96 Ų | 96 | 70.6 Ų | 70.6 | 36% | 0.362 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.2 | -34.6 | 174.2 | -178.2 | 179.8 | 65.9 | -139.7 | -8.7 | 112.3 | D362 N363 L364 | D362-R366 WeakPolarHBondContact O-CB 3.37Å; D362-R366 PolarHBondContact O-N 3.34Å; N363-R366 PolarHBondContact O-N 3.41Å; N363-R366 PolarHBondContact OD1-NH2 2.96Å; L364-R366 VanDerWaalsContact C-N 3.26Å; L364-R366 PolarHBondContact O-N 3.15Å |
| 367 | H | 85.5 | Confident | 82.3 | Confident | 29 Ų | 29 | 69.5 Ų | 69.5 | 13% | 0.134 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.8 | -38.7 | 176.3 | 167.4 | 77 | 0 | 0 | 0 | 112.2 | C351 C354 Y356 N363 L364 R369 V370 H371 | C351-H367 PolarHBondContact SG-CD2 3.4Å; C351-H367 PolarHBondContact SG-NE2 3.04Å; C354-H367 PolarHBondContact SG-CE1 3.09Å; C354-H367 PolarHBondContact SG-NE2 3.37Å; Y356-H367 WeakPolarHBondContact CB-NE2 3.48Å; Y356-H367 HydrophobicContact CD1-CB 3.71Å; Y356-H367 AromaticContact CD1-CD2 3.43Å; Y356-H367 VanDerWaalsContact CD1-CD2 3.43Å; Y356-H367 WeakPolarHBondContact CD1-CD2 3.42Å; Y356-H367 AromaticContact CD1-CG 3.27Å; Y356-H367 AromaticContact CD1-ND1 3.72Å; Y356-H367 AromaticContact CD1-NE2 3.95Å; Y356-H367 HydrophobicContact CE1-CB 3.53Å; Y356-H367 AromaticContact CE1-CG 3.66Å; Y356-H367 HydrophobicContact CG-CB 4.44Å; Y356-H367 AromaticContact CG-CD2 3.85Å; Y356-H367 AromaticContact CG-CE1 3.72Å; Y356-H367 AromaticContact CG-CG 3.67Å; Y356-H367 AromaticContact CG-ND1 3.59Å; Y356-H367 AromaticContact CG-NE2 3.88Å; N363-H367 WeakPolarHBondContact O-CB 3.36Å; N363-H367 PolarHBondContact O-N 2.84Å; L364-H367 CarbonylContact O-C 3.41Å; L364-H367 WeakPolarHBondContact O-CA 3.44Å; L364-H367 WeakPolarHBondContact O-CB 3.48Å; L364-H367 PolarHBondContact O-N 3.32Å; H367-R369 PolarHBondContact O-N 3.26Å; H367-R369 VanDerWaalsContact O-N 3.13Å; H367-V370 VanDerWaalsContact O-CB 3.25Å; H367-V370 WeakPolarHBondContact O-CB 3.45Å; H367-V370 WeakPolarHBondContact O-CG2 3.45Å; H367-V370 PolarHBondContact O-N 2.88Å; H367-H371 AromaticContact CD2-NE2 3.49Å; H367-H371 PolarHBondContact CD2-NE2 3.13Å; H367-H371 AromaticContact CE1-NE2 2.99Å; H367-H371 PolarHBondContact CE1-NE2 3.43Å; H367-H371 AromaticContact NE2-CD2 3.67Å; H367-H371 AromaticContact NE2-NE2 2.35Å; H367-H371 PolarHBondContact NE2-NE2 3.29Å |
| 368 | L | 84.9 | Confident | 82.4 | Confident | 51 Ų | 51 | 77.9 Ų | 77.9 | 27% | 0.267 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -55.6 | -31.5 | 176.6 | -69.1 | 174 | 0 | 0 | 0 | 112.7 | P352 L364 V370 H371 T372 | P352-L368 HydrophobicContact CG-CD2 4.46Å; L364-L368 HydrophobicContact CD1-CD2 4.42Å; L364-L368 HydrophobicContact CD1-CG 4.3Å; L364-L368 HydrophobicContact CG-CD1 4.42Å; L364-L368 HydrophobicContact CG-CG 4.41Å; L364-L368 WeakPolarHBondContact O-CG 3.45Å; L364-L368 PolarHBondContact O-N 3.43Å; L368-V370 PolarHBondContact O-N 3.39Å; L368-V370 VanDerWaalsContact O-N 3.12Å; L368-H371 PolarHBondContact O-N 2.91Å; L368-T372 PolarHBondContact O-N 3.4Å; L368-T372 VanDerWaalsContact O-N 3.08Å |
| 369 | R | 85.8 | Confident | 82.7 | Confident | 63 Ų | 63 | 78.1 Ų | 78.1 | 24% | 0.238 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.1 | -10.4 | 173.3 | -65.8 | -165.3 | -73.7 | -95.6 | 4.8 | 115.3 | H367 T372 G373 E374 G387 | H367-R369 PolarHBondContact O-N 3.26Å; H367-R369 VanDerWaalsContact O-N 3.13Å; R369-T372 WeakPolarHBondContact CA-OG1 3.22Å; R369-G373 PolarHBondContact O-N 3.2Å; R369-E374 HydrophobicContact CB-CB 4.27Å; R369-E374 HydrophobicContact CG-CB 3.99Å; R369-E374 PolarHBondContact O-N 3.03Å; R369-G387 PolarHBondContact NE-O 3.2Å; R369-G387 PolarHBondContact NH2-O 3.45Å |
| 370 | V | 84.5 | Confident | 83.2 | Confident | 110 Ų | 110 | 83 Ų | 83 | 67% | 0.667 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -74.6 | -37.6 | 168.8 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | H367 L368 | H367-V370 VanDerWaalsContact O-CB 3.25Å; H367-V370 WeakPolarHBondContact O-CB 3.45Å; H367-V370 WeakPolarHBondContact O-CG2 3.45Å; H367-V370 PolarHBondContact O-N 2.88Å; L368-V370 PolarHBondContact O-N 3.39Å; L368-V370 VanDerWaalsContact O-N 3.12Å |
| 371 | H | 84.9 | Confident | 83.6 | Confident | 87 Ų | 87 | 83.2 Ų | 83.2 | 40% | 0.403 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -79.4 | -41.1 | 178.6 | -61.4 | -71.5 | 0 | 0 | 0 | 112.1 | C351 H353 C354 H367 L368 G373 | C351-H371 PolarHBondContact SG-NE2 3.06Å; H353-H371 PolarHBondContact O-CE1 3.46Å; H353-H371 VanDerWaalsContact O-CE1 3.25Å; C354-H371 WeakPolarHBondContact CB-CE1 3.29Å; C354-H371 PolarHBondContact SG-CE1 2.82Å; C354-H371 PolarHBondContact SG-NE2 3.35Å; H367-H371 AromaticContact CD2-NE2 3.49Å; H367-H371 PolarHBondContact CD2-NE2 3.13Å; H367-H371 AromaticContact CE1-NE2 2.99Å; H367-H371 PolarHBondContact CE1-NE2 3.43Å; H367-H371 AromaticContact NE2-CD2 3.67Å; H367-H371 AromaticContact NE2-NE2 2.35Å; H367-H371 PolarHBondContact NE2-NE2 3.29Å; L368-H371 PolarHBondContact O-N 2.91Å; H371-G373 VanDerWaalsContact C-N 3.28Å; H371-G373 PolarHBondContact O-N 3.15Å |
| 372 | T | 82.2 | Confident | 84.3 | Confident | 84 Ų | 84 | 82 Ų | 82 | 52% | 0.515 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -80.6 | -4.5 | 178.7 | 65.5 | 0 | 0 | 0 | 0 | 114.2 | L368 R369 E374 | L368-T372 PolarHBondContact O-N 3.4Å; L368-T372 VanDerWaalsContact O-N 3.08Å; R369-T372 WeakPolarHBondContact CA-OG1 3.22Å; T372-E374 PolarHBondContact O-N 3.22Å; T372-E374 WeakPolarHBondContact OG1-CG 3.26Å |
| 373 | G | 82.2 | Confident | 84.7 | Confident | 45 Ų | 45 | 83 Ų | 83 | 46% | 0.464 | 44% | 0.438 | S | S | . | . | trans | 66 | -0.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R369 H371 K375 | R369-G373 PolarHBondContact O-N 3.2Å; H371-G373 VanDerWaalsContact C-N 3.28Å; H371-G373 PolarHBondContact O-N 3.15Å; G373-K375 WeakPolarHBondContact O-CG 3.45Å; G373-K375 PolarHBondContact O-N 3.47Å | ||
| 374 | E | 82.1 | Confident | 85 | Confident | 108 Ų | 108 | 85.5 Ų | 85.5 | 51% | 0.505 | 44% | 0.444 | S | S | . | . | trans | -59.4 | 122.8 | -175 | -78.6 | -177.5 | -178.4 | 0 | 0 | 112.9 | R369 T372 P376 | R369-E374 HydrophobicContact CB-CB 4.27Å; R369-E374 HydrophobicContact CG-CB 3.99Å; R369-E374 PolarHBondContact O-N 3.03Å; T372-E374 PolarHBondContact O-N 3.22Å; T372-E374 WeakPolarHBondContact OG1-CG 3.26Å; E374-P376 WeakPolarHBondContact O-CD 3.36Å | ||
| 375 | K | 86.3 | Confident | 85.2 | Confident | 129 Ų | 129 | 85.9 Ų | 85.9 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | trans | -121.9 | 73.7 | 176.9 | -67.1 | 161.9 | -173.1 | 169.7 | 0 | 110.7 | G373 F377 A385 C386 | G373-K375 WeakPolarHBondContact O-CG 3.45Å; G373-K375 PolarHBondContact O-N 3.47Å; K375-F377 PolarHBondContact O-N 2.98Å; K375-A385 HydrophobicContact CB-CB 3.7Å; K375-A385 HydrophobicContact CD-CB 4.22Å; K375-A385 HydrophobicContact CG-CB 4.45Å; K375-C386 CarbonylContact C-O 3.45Å | ||
| 376 | P | 82.2 | Confident | 85.4 | Confident | 77 Ų | 77 | 79.7 Ų | 79.7 | 50% | 0.5 | 43% | 0.427 | S | S | . | . | trans | -65.1 | -21.6 | -175.9 | -21.5 | 34.2 | 0 | 0 | 0 | 114 | E374 | E374-P376 WeakPolarHBondContact O-CD 3.36Š| ||
| 377 | F | 86 | Confident | 85.3 | Confident | 63 Ų | 63 | 76.1 Ų | 76.1 | 28% | 0.276 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 93.4 | -175 | -54.5 | -77.8 | 0 | 0 | 0 | 110.2 | K375 A385 C386 L389 L392 | K375-F377 PolarHBondContact O-N 2.98Å; F377-A385 WeakPolarHBondContact O-CA 3.48Å; F377-C386 WeakPolarHBondContact CB-O 3.33Å; F377-C386 WeakPolarHBondContact CD2-O 3.37Å; F377-C386 PolarHBondContact N-O 3.01Å; F377-C386 VanDerWaalsContact N-O 3.15Å; F377-C386 PolarHBondContact O-N 3.33Å; F377-L389 HydrophobicContact CD1-CB 3.97Å; F377-L389 HydrophobicContact CD1-CD1 3.92Å; F377-L389 HydrophobicContact CE1-CB 3.79Å; F377-L389 HydrophobicContact CE1-CD1 4.19Å; F377-L389 HydrophobicContact CE1-CG 4.44Å; F377-L389 HydrophobicContact CE2-CB 4.48Å; F377-L389 HydrophobicContact CG-CB 4.39Å; F377-L389 HydrophobicContact CZ-CB 4.06Å; F377-L392 HydrophobicContact CB-CB 4.12Å; F377-L392 HydrophobicContact CB-CD2 3.88Å |
| 378 | R | 86.7 | Confident | 85.2 | Confident | 200 Ų | 200 | 76.4 Ų | 76.4 | 76% | 0.755 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 147.3 | 175.1 | -60 | -171.8 | 177.5 | -172.1 | -1.2 | 111.5 | A385 L392 | R378-A385 HydrophobicContact CB-CB 4.5Å; R378-A385 HydrophobicContact CG-CB 3.88Å; R378-L392 WeakPolarHBondContact O-CD2 3.26Å |
| 379 | C | 88.6 | Confident | 85.1 | Confident | 12 Ų | 12 | 77.3 Ų | 77.3 | 8% | 0.081 | 43% | 0.428 | C | S | . | . | trans | -78.8 | 145.3 | 167.4 | -166.5 | 0 | 0 | 0 | 0 | 110 | C382 Y384 L392 | C379-C382 VanDerWaalsContact O-O 3.1Å; C379-Y384 WeakPolarHBondContact CB-O 3.48Å; C379-Y384 PolarHBondContact N-O 3.27Å; C379-L392 HydrophobicContact CB-CD1 3.91Å | ||
| 380 | T | 85.7 | Confident | 84.9 | Confident | 132 Ų | 132 | 77.1 Ų | 77.1 | 81% | 0.81 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -85.8 | -21.2 | 174.3 | 48.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 381 | S | 82.9 | Confident | 85 | Confident | 82 Ų | 82 | 74.2 Ų | 74.2 | 57% | 0.573 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -98.5 | -5.2 | -175.6 | -50 | 0 | 0 | 0 | 0 | 114 | ||
| 382 | C | 90.3 | Very high | 85 | Confident | 50 Ų | 50 | 70.8 Ų | 70.8 | 34% | 0.338 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -166.2 | 171.5 | 176.3 | 66.2 | 0 | 0 | 0 | 0 | 110.5 | C379 Y384 H395 H399 | C379-C382 VanDerWaalsContact O-O 3.1Å; C382-Y384 PolarHBondContact O-N 2.89Å; C382-Y384 VanDerWaalsContact SG-CB 3.57Å; C382-H395 PolarHBondContact SG-NE2 2.68Å; C382-H399 PolarHBondContact SG-NE2 2.94Å; C382-H399 VanDerWaalsContact SG-NE2 3.41Å |
| 383 | S | 87.9 | Confident | 85.2 | Confident | 129 Ų | 129 | 74.2 Ų | 74.2 | 90% | 0.902 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -67 | -1.3 | 179.1 | 54.1 | 0 | 0 | 0 | 0 | 115.8 | A385 | S383-A385 PolarHBondContact O-N 3.13Š|
| 384 | Y | 88.7 | Confident | 85.3 | Confident | 95 Ų | 95 | 76.3 Ų | 76.3 | 37% | 0.373 | 40% | 0.402 | S | S | . | . | trans | -65 | 127 | -177.2 | -177.8 | -98.1 | 0 | 0 | 0 | 112.9 | C379 C382 C386 H395 | C379-Y384 WeakPolarHBondContact CB-O 3.48Å; C379-Y384 PolarHBondContact N-O 3.27Å; C382-Y384 PolarHBondContact O-N 2.89Å; C382-Y384 VanDerWaalsContact SG-CB 3.57Å; Y384-C386 HydrophobicContact CE1-CB 3.97Å; Y384-H395 VanDerWaalsContact CB-CE1 3.47Å; Y384-H395 WeakPolarHBondContact CB-CE1 3.42Å; Y384-H395 HydrophobicContact CD1-CB 3.94Å; Y384-H395 AromaticContact CD1-CD2 3.67Å; Y384-H395 AromaticContact CD1-CE1 3.76Å; Y384-H395 AromaticContact CD1-CG 3.39Å; Y384-H395 AromaticContact CD1-ND1 3.45Å; Y384-H395 WeakPolarHBondContact CD1-ND1 3.4Å; Y384-H395 AromaticContact CD1-NE2 3.91Å; Y384-H395 HydrophobicContact CE1-CB 3.75Å; Y384-H395 AromaticContact CE1-CG 3.71Å; Y384-H395 AromaticContact CE1-ND1 3.87Å; Y384-H395 AromaticContact CG-CE1 3.53Å; Y384-H395 AromaticContact CG-CG 3.97Å; Y384-H395 AromaticContact CG-ND1 3.54Å; Y384-H395 AromaticContact CG-NE2 3.95Å | ||
| 385 | A | 87.1 | Confident | 85.6 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 21% | 0.207 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 145.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K375 F377 R378 S383 | K375-A385 HydrophobicContact CB-CB 3.7Å; K375-A385 HydrophobicContact CD-CB 4.22Å; K375-A385 HydrophobicContact CG-CB 4.45Å; F377-A385 WeakPolarHBondContact O-CA 3.48Å; R378-A385 HydrophobicContact CB-CB 4.5Å; R378-A385 HydrophobicContact CG-CB 3.88Å; S383-A385 PolarHBondContact O-N 3.13Å |
| 386 | C | 86.1 | Confident | 85.6 | Confident | 7 Ų | 7 | 70 Ų | 70 | 5% | 0.047 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 160.7 | -179.9 | 64.4 | 0 | 0 | 0 | 0 | 114.3 | K375 F377 Y384 N388 N391 L392 | K375-C386 CarbonylContact C-O 3.45Å; F377-C386 WeakPolarHBondContact CB-O 3.33Å; F377-C386 WeakPolarHBondContact CD2-O 3.37Å; F377-C386 PolarHBondContact N-O 3.01Å; F377-C386 VanDerWaalsContact N-O 3.15Å; F377-C386 PolarHBondContact O-N 3.33Å; Y384-C386 HydrophobicContact CE1-CB 3.97Å; C386-N388 VanDerWaalsContact C-N 3.29Å; C386-N388 PolarHBondContact O-N 2.86Å; C386-N388 PolarHBondContact SG-O 2.94Å; C386-N388 VanDerWaalsContact SG-O 3.37Å; C386-N391 HydrophobicContact CB-CB 4.27Å; C386-L392 PolarHBondContact SG-N 3.15Å |
| 387 | G | 81.2 | Confident | 85.8 | Confident | 20 Ų | 20 | 70 Ų | 70 | 21% | 0.206 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -80.8 | 10.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116 | R369 | R369-G387 PolarHBondContact NE-O 3.2Å; R369-G387 PolarHBondContact NH2-O 3.45Å |
| 388 | N | 83.3 | Confident | 85.8 | Confident | 35 Ų | 35 | 72.1 Ų | 72.1 | 19% | 0.187 | 38% | 0.378 | C | S | . | . | trans | -149.9 | 122.7 | -176.1 | -176.7 | -0.6 | 0 | 0 | 0 | 112.9 | C386 A390 N391 L392 | C386-N388 VanDerWaalsContact C-N 3.29Å; C386-N388 PolarHBondContact O-N 2.86Å; C386-N388 PolarHBondContact SG-O 2.94Å; C386-N388 VanDerWaalsContact SG-O 3.37Å; N388-A390 PolarHBondContact O-N 2.83Å; N388-A390 VanDerWaalsContact O-N 3.15Å; N388-A390 PolarHBondContact OD1-N 3.32Å; N388-N391 HydrophobicContact CB-CB 4.31Å; N388-N391 WeakPolarHBondContact O-CA 3.3Å; N388-N391 WeakPolarHBondContact O-CB 3.48Å; N388-N391 PolarHBondContact O-N 2.95Å; N388-L392 PolarHBondContact O-N 3.24Å | ||
| 389 | L | 82.3 | Confident | 85.7 | Confident | 71 Ų | 71 | 66.8 Ų | 66.8 | 37% | 0.372 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -53.4 | -34.5 | 175.8 | -176.3 | 62.3 | 0 | 0 | 0 | 113.9 | F377 N391 L392 R393 | F377-L389 HydrophobicContact CD1-CB 3.97Å; F377-L389 HydrophobicContact CD1-CD1 3.92Å; F377-L389 HydrophobicContact CE1-CB 3.79Å; F377-L389 HydrophobicContact CE1-CD1 4.19Å; F377-L389 HydrophobicContact CE1-CG 4.44Å; F377-L389 HydrophobicContact CE2-CB 4.48Å; F377-L389 HydrophobicContact CG-CB 4.39Å; F377-L389 HydrophobicContact CZ-CB 4.06Å; L389-N391 VanDerWaalsContact C-N 3.29Å; L389-N391 PolarHBondContact O-N 3.3Å; L389-L392 PolarHBondContact O-N 3.37Å; L389-R393 WeakPolarHBondContact O-CG 3.17Å; L389-R393 PolarHBondContact O-N 3.29Å |
| 390 | A | 82.4 | Confident | 85.5 | Confident | 59 Ų | 59 | 70.3 Ų | 70.3 | 49% | 0.488 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.3 | -30 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N388 R394 | N388-A390 PolarHBondContact O-N 2.83Å; N388-A390 VanDerWaalsContact O-N 3.15Å; N388-A390 PolarHBondContact OD1-N 3.32Å; A390-R394 WeakPolarHBondContact O-CB 3.38Å; A390-R394 PolarHBondContact O-N 2.93Å |
| 391 | N | 85 | Confident | 85.4 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 26% | 0.262 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.7 | -42.8 | 172.8 | -72.2 | -14.3 | 0 | 0 | 0 | 110.8 | C386 N388 L389 R394 H395 | C386-N391 HydrophobicContact CB-CB 4.27Å; N388-N391 HydrophobicContact CB-CB 4.31Å; N388-N391 WeakPolarHBondContact O-CA 3.3Å; N388-N391 WeakPolarHBondContact O-CB 3.48Å; N388-N391 PolarHBondContact O-N 2.95Å; L389-N391 VanDerWaalsContact C-N 3.29Å; L389-N391 PolarHBondContact O-N 3.3Å; N391-R394 WeakPolarHBondContact O-CB 3.33Å; N391-R394 PolarHBondContact O-N 2.93Å; N391-R394 VanDerWaalsContact O-N 3.16Å; N391-R394 PolarHBondContact OD1-NH2 2.93Å; N391-H395 WeakPolarHBondContact O-CB 3.46Å; N391-H395 PolarHBondContact O-N 3.07Å |
| 392 | L | 86.8 | Confident | 85.5 | Confident | 15 Ų | 15 | 64.2 Ų | 64.2 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.5 | -49.4 | 175.6 | -179.4 | 61.3 | 0 | 0 | 0 | 111.7 | F377 R378 C379 C386 N388 L389 R394 H395 Q396 | F377-L392 HydrophobicContact CB-CB 4.12Å; F377-L392 HydrophobicContact CB-CD2 3.88Å; R378-L392 WeakPolarHBondContact O-CD2 3.26Å; C379-L392 HydrophobicContact CB-CD1 3.91Å; C386-L392 PolarHBondContact SG-N 3.15Å; N388-L392 PolarHBondContact O-N 3.24Å; L389-L392 PolarHBondContact O-N 3.37Å; L392-R394 PolarHBondContact O-N 3.18Å; L392-H395 WeakPolarHBondContact O-CB 3.41Å; L392-H395 PolarHBondContact O-N 3.18Å; L392-H395 VanDerWaalsContact O-N 3.1Å; L392-Q396 HydrophobicContact CD1-CG 4.48Å; L392-Q396 WeakPolarHBondContact O-CG 3.47Å; L392-Q396 PolarHBondContact O-N 2.91Å |
| 393 | R | 85 | Confident | 85.3 | Confident | 156 Ų | 156 | 67.3 Ų | 67.3 | 59% | 0.589 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.3 | -29 | 175.8 | -73.6 | -178.7 | 176.9 | -179.3 | -0.5 | 113.7 | L389 | L389-R393 WeakPolarHBondContact O-CG 3.17Å; L389-R393 PolarHBondContact O-N 3.29Å |
| 394 | R | 84.5 | Confident | 85 | Confident | 88 Ų | 88 | 64.8 Ų | 64.8 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -75.8 | -43 | 173.9 | 168.4 | 171.3 | 55.2 | 161.2 | -0.7 | 111.1 | A390 N391 L392 R397 Q416 | A390-R394 WeakPolarHBondContact O-CB 3.38Å; A390-R394 PolarHBondContact O-N 2.93Å; N391-R394 WeakPolarHBondContact O-CB 3.33Å; N391-R394 PolarHBondContact O-N 2.93Å; N391-R394 VanDerWaalsContact O-N 3.16Å; N391-R394 PolarHBondContact OD1-NH2 2.93Å; L392-R394 PolarHBondContact O-N 3.18Å; R394-R397 WeakPolarHBondContact O-CB 3.44Å; R394-R397 PolarHBondContact O-N 2.95Å; R394-Q416 VanDerWaalsContact CD-CD 3.43Å; R394-Q416 HydrophobicContact CG-CG 4.36Å |
| 395 | H | 88.3 | Confident | 85 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 12% | 0.116 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 176.4 | 168.8 | 89.9 | 0 | 0 | 0 | 111.7 | C382 Y384 N391 L392 R397 I398 H399 | C382-H395 PolarHBondContact SG-NE2 2.68Å; Y384-H395 VanDerWaalsContact CB-CE1 3.47Å; Y384-H395 WeakPolarHBondContact CB-CE1 3.42Å; Y384-H395 HydrophobicContact CD1-CB 3.94Å; Y384-H395 AromaticContact CD1-CD2 3.67Å; Y384-H395 AromaticContact CD1-CE1 3.76Å; Y384-H395 AromaticContact CD1-CG 3.39Å; Y384-H395 AromaticContact CD1-ND1 3.45Å; Y384-H395 WeakPolarHBondContact CD1-ND1 3.4Å; Y384-H395 AromaticContact CD1-NE2 3.91Å; Y384-H395 HydrophobicContact CE1-CB 3.75Å; Y384-H395 AromaticContact CE1-CG 3.71Å; Y384-H395 AromaticContact CE1-ND1 3.87Å; Y384-H395 AromaticContact CG-CE1 3.53Å; Y384-H395 AromaticContact CG-CG 3.97Å; Y384-H395 AromaticContact CG-ND1 3.54Å; Y384-H395 AromaticContact CG-NE2 3.95Å; N391-H395 WeakPolarHBondContact O-CB 3.46Å; N391-H395 PolarHBondContact O-N 3.07Å; L392-H395 WeakPolarHBondContact O-CB 3.41Å; L392-H395 PolarHBondContact O-N 3.18Å; L392-H395 VanDerWaalsContact O-N 3.1Å; H395-R397 PolarHBondContact O-N 2.65Å; H395-I398 VanDerWaalsContact O-CB 3.26Å; H395-I398 WeakPolarHBondContact O-CB 3.4Å; H395-I398 VanDerWaalsContact O-CG1 3.31Å; H395-I398 WeakPolarHBondContact O-CG1 3.4Å; H395-I398 PolarHBondContact O-N 3.02Å; H395-H399 AromaticContact CD2-NE2 3.81Å; H395-H399 AromaticContact CE1-NE2 3.8Å; H395-H399 AromaticContact NE2-CD2 3.76Å; H395-H399 AromaticContact NE2-CE1 3.98Å; H395-H399 AromaticContact NE2-NE2 3Å; H395-H399 PolarHBondContact NE2-NE2 3.42Å |
| 396 | Q | 85.9 | Confident | 85.1 | Confident | 81 Ų | 81 | 69.9 Ų | 69.9 | 38% | 0.379 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.4 | -21.1 | 176 | -75.3 | 172.8 | -41.8 | 0 | 0 | 114.3 | L392 I398 H399 S400 | L392-Q396 HydrophobicContact CD1-CG 4.48Å; L392-Q396 WeakPolarHBondContact O-CG 3.47Å; L392-Q396 PolarHBondContact O-N 2.91Å; Q396-I398 PolarHBondContact O-N 3.43Å; Q396-H399 PolarHBondContact O-N 2.59Å; Q396-S400 PolarHBondContact O-N 3.28Å; Q396-S400 PolarHBondContact O-OG 3.1Å |
| 397 | R | 86.7 | Confident | 85.2 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 29% | 0.291 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.8 | -12.7 | 173.7 | -55.6 | -179.7 | -164.2 | 150.8 | 6.2 | 114 | R394 H395 G401 A402 N415 | R394-R397 WeakPolarHBondContact O-CB 3.44Å; R394-R397 PolarHBondContact O-N 2.95Å; H395-R397 PolarHBondContact O-N 2.65Å; R397-G401 CarbonylContact O-C 3.58Å; R397-G401 WeakPolarHBondContact O-CA 3.5Å; R397-G401 PolarHBondContact O-N 3.06Å; R397-A402 HydrophobicContact CB-CB 4.19Å; R397-A402 HydrophobicContact CG-CB 4.29Å; R397-A402 PolarHBondContact O-N 3.42Å; R397-A402 VanDerWaalsContact O-N 3.11Å; R397-N415 HydrophobicContact CB-CB 4.49Å; R397-N415 PolarHBondContact NH1-O 3.16Å |
| 398 | I | 85.9 | Confident | 85.3 | Confident | 106 Ų | 106 | 73.1 Ų | 73.1 | 54% | 0.544 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.9 | -54 | 172.6 | -59.2 | 170.2 | 0 | 0 | 0 | 107.6 | H395 Q396 S400 G401 | H395-I398 VanDerWaalsContact O-CB 3.26Å; H395-I398 WeakPolarHBondContact O-CB 3.4Å; H395-I398 VanDerWaalsContact O-CG1 3.31Å; H395-I398 WeakPolarHBondContact O-CG1 3.4Å; H395-I398 PolarHBondContact O-N 3.02Å; Q396-I398 PolarHBondContact O-N 3.43Å; I398-S400 PolarHBondContact O-N 3.11Å; I398-G401 PolarHBondContact O-N 3.16Å; I398-G401 VanDerWaalsContact O-N 3.17Å |
| 399 | H | 84.8 | Confident | 85.4 | Confident | 89 Ų | 89 | 76.1 Ų | 76.1 | 41% | 0.412 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 178.1 | -57.4 | -51.6 | 0 | 0 | 0 | 113.4 | C382 H395 Q396 G401 | C382-H399 PolarHBondContact SG-NE2 2.94Å; C382-H399 VanDerWaalsContact SG-NE2 3.41Å; H395-H399 AromaticContact CD2-NE2 3.81Å; H395-H399 AromaticContact CE1-NE2 3.8Å; H395-H399 AromaticContact NE2-CD2 3.76Å; H395-H399 AromaticContact NE2-CE1 3.98Å; H395-H399 AromaticContact NE2-NE2 3Å; H395-H399 PolarHBondContact NE2-NE2 3.42Å; Q396-H399 PolarHBondContact O-N 2.59Å; H399-G401 VanDerWaalsContact C-N 3.32Å; H399-G401 PolarHBondContact O-N 3.35Å |
| 400 | S | 84.3 | Confident | 85.6 | Confident | 85 Ų | 85 | 75.7 Ų | 75.7 | 59% | 0.594 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 1.1 | 178.2 | 63.5 | 0 | 0 | 0 | 0 | 114.8 | Q396 I398 A402 | Q396-S400 PolarHBondContact O-N 3.28Å; Q396-S400 PolarHBondContact O-OG 3.1Å; I398-S400 PolarHBondContact O-N 3.11Å; S400-A402 PolarHBondContact O-N 3.25Å; S400-A402 WeakPolarHBondContact OG-CB 3.34Å |
| 401 | G | 84.5 | Confident | 85.6 | Confident | 46 Ų | 46 | 74.1 Ų | 74.1 | 47% | 0.474 | 40% | 0.398 | S | S | . | . | trans | 60.2 | 8.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R397 I398 H399 K403 | R397-G401 CarbonylContact O-C 3.58Å; R397-G401 WeakPolarHBondContact O-CA 3.5Å; R397-G401 PolarHBondContact O-N 3.06Å; I398-G401 PolarHBondContact O-N 3.16Å; I398-G401 VanDerWaalsContact O-N 3.17Å; H399-G401 VanDerWaalsContact C-N 3.32Å; H399-G401 PolarHBondContact O-N 3.35Å; G401-K403 WeakPolarHBondContact O-CG 3.46Å; G401-K403 PolarHBondContact O-N 2.88Å; G401-K403 VanDerWaalsContact O-N 3.08Å | ||
| 402 | A | 84.8 | Confident | 85.8 | Confident | 40 Ų | 40 | 75.9 Ų | 75.9 | 33% | 0.331 | 40% | 0.404 | S | S | . | . | trans | -65.3 | 109.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R397 S400 P404 | R397-A402 HydrophobicContact CB-CB 4.19Å; R397-A402 HydrophobicContact CG-CB 4.29Å; R397-A402 PolarHBondContact O-N 3.42Å; R397-A402 VanDerWaalsContact O-N 3.11Å; S400-A402 PolarHBondContact O-N 3.25Å; S400-A402 WeakPolarHBondContact OG-CB 3.34Å; A402-P404 VanDerWaalsContact C-CD 3.41Å; A402-P404 WeakPolarHBondContact O-CD 3.45Å | ||
| 403 | K | 86.8 | Confident | 85.8 | Confident | 116 Ų | 116 | 81.9 Ų | 81.9 | 50% | 0.504 | 43% | 0.426 | S | S | . | . | trans | -111.3 | 77.7 | 177 | -65.8 | 163.2 | -173.7 | 175.4 | 0 | 110.7 | G401 F405 R413 C414 | G401-K403 WeakPolarHBondContact O-CG 3.46Å; G401-K403 PolarHBondContact O-N 2.88Å; G401-K403 VanDerWaalsContact O-N 3.08Å; K403-F405 VanDerWaalsContact C-N 3.34Å; K403-F405 PolarHBondContact O-N 3.37Å; K403-R413 HydrophobicContact CB-CB 3.71Å; K403-R413 HydrophobicContact CD-CB 4.35Å; K403-R413 PolarHBondContact O-NE 3.14Å; K403-R413 PolarHBondContact O-NH2 3Å; K403-R413 VanDerWaalsContact O-NH2 3.1Å; K403-C414 CarbonylContact C-O 3.45Å; K403-C414 WeakPolarHBondContact CA-O 3.34Å | ||
| 404 | P | 81.6 | Confident | 85.9 | Confident | 75 Ų | 75 | 74.9 Ų | 74.9 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | trans | -73.2 | -20.6 | -176.2 | 28.5 | -35.6 | 0 | 0 | 0 | 114 | A402 | A402-P404 VanDerWaalsContact C-CD 3.41Å; A402-P404 WeakPolarHBondContact O-CD 3.45Å | ||
| 405 | F | 87.4 | Confident | 85.8 | Confident | 64 Ų | 64 | 72.8 Ų | 72.8 | 28% | 0.281 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 112.4 | -178.4 | -55.9 | -78.1 | 0 | 0 | 0 | 110 | K403 R413 C414 L420 | K403-F405 VanDerWaalsContact C-N 3.34Å; K403-F405 PolarHBondContact O-N 3.37Å; F405-R413 CarbonylContact O-C 3.49Å; F405-R413 VanDerWaalsContact O-CA 3.31Å; F405-R413 WeakPolarHBondContact O-CA 3.45Å; F405-C414 PolarHBondContact N-O 3.26Å; F405-C414 PolarHBondContact O-N 2.95Å; F405-L420 HydrophobicContact CB-CB 4.22Å; F405-L420 HydrophobicContact CB-CD2 4.03Å |
| 406 | R | 88.9 | Confident | 85.7 | Confident | 164 Ų | 164 | 73.3 Ų | 73.3 | 62% | 0.619 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 137.5 | 178 | -177.3 | 179.1 | -178.9 | -133.3 | 0.1 | 110.6 | H412 R413 | R406-H412 CarbonylContact C-O 3.58Å; R406-R413 HydrophobicContact CB-CG 4.34Å; R406-R413 HydrophobicContact CG-CG 4.26Å |
| 407 | C | 87.9 | Confident | 85.6 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.007 | 40% | 0.398 | C | S | . | . | trans | -75.9 | 125.7 | 166.7 | 178.8 | 0 | 0 | 0 | 0 | 110 | V409 G411 H412 L420 H427 | C407-V409 VanDerWaalsContact C-N 3.33Å; C407-V409 PolarHBondContact SG-N 3.36Å; C407-G411 WeakPolarHBondContact O-CA 3.48Å; C407-G411 PolarHBondContact O-N 3.06Å; C407-H412 HydrophobicContact CB-CB 4.26Å; C407-H412 WeakPolarHBondContact CB-O 3.24Å; C407-H412 PolarHBondContact N-O 3.38Å; C407-L420 HydrophobicContact CB-CD1 3.77Å; C407-H427 PolarHBondContact SG-NE2 3.13Å; C407-H427 VanDerWaalsContact SG-NE2 3.43Å | ||
| 408 | A | 83.4 | Confident | 85.5 | Confident | 94 Ų | 94 | 73.4 Ų | 73.4 | 78% | 0.777 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -34.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 409 | V | 85.5 | Confident | 85.5 | Confident | 98 Ų | 98 | 70.1 Ų | 70.1 | 59% | 0.594 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -43.5 | -173.1 | -176.7 | 0 | 0 | 0 | 0 | 113 | C407 M424 | C407-V409 VanDerWaalsContact C-N 3.33Å; C407-V409 PolarHBondContact SG-N 3.36Å; V409-M424 HydrophobicContact CG2-CE 3.96Å |
| 410 | C | 86.9 | Confident | 85.6 | Confident | 61 Ų | 61 | 67.4 Ų | 67.4 | 41% | 0.412 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.1 | 12.5 | -174.4 | 70.7 | 0 | 0 | 0 | 0 | 114.3 | H412 H423 H427 | C410-H412 PolarHBondContact O-N 3.33Å; C410-H423 VanDerWaalsContact SG-CE1 3.6Å; C410-H423 PolarHBondContact SG-NE2 2.82Å; C410-H427 VanDerWaalsContact SG-CE1 3.54Å; C410-H427 PolarHBondContact SG-NE2 3.36Å; C410-H427 VanDerWaalsContact SG-NE2 3.36Å |
| 411 | G | 83.6 | Confident | 85.6 | Confident | 26 Ų | 26 | 70.5 Ų | 70.5 | 27% | 0.268 | 38% | 0.384 | S | S | . | . | trans | 68.6 | -10.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | C407 R413 | C407-G411 WeakPolarHBondContact O-CA 3.48Å; C407-G411 PolarHBondContact O-N 3.06Å; G411-R413 WeakPolarHBondContact O-CG 3.31Å; G411-R413 PolarHBondContact O-N 3.22Å | ||
| 412 | H | 87.7 | Confident | 85.6 | Confident | 87 Ų | 87 | 72.5 Ų | 72.5 | 40% | 0.403 | 38% | 0.378 | S | S | . | . | trans | -51.8 | 133.4 | -178.1 | 177.4 | 77.8 | 0 | 0 | 0 | 112.5 | R406 C407 C410 H423 | R406-H412 CarbonylContact C-O 3.58Å; C407-H412 HydrophobicContact CB-CB 4.26Å; C407-H412 WeakPolarHBondContact CB-O 3.24Å; C407-H412 PolarHBondContact N-O 3.38Å; C410-H412 PolarHBondContact O-N 3.33Å; H412-H423 AromaticContact CD2-CE1 3.54Å; H412-H423 AromaticContact CD2-ND1 3.42Å; H412-H423 PolarHBondContact CD2-ND1 2.87Å; H412-H423 AromaticContact CG-CE1 3.56Å; H412-H423 AromaticContact CG-ND1 3.89Å | ||
| 413 | R | 88.4 | Confident | 85.7 | Confident | 140 Ų | 140 | 71.8 Ų | 71.8 | 53% | 0.528 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.7 | -176.1 | -53.1 | -175.7 | 68.2 | 145.1 | 1.6 | 111.7 | K403 F405 R406 G411 | K403-R413 HydrophobicContact CB-CB 3.71Å; K403-R413 HydrophobicContact CD-CB 4.35Å; K403-R413 PolarHBondContact O-NE 3.14Å; K403-R413 PolarHBondContact O-NH2 3Å; K403-R413 VanDerWaalsContact O-NH2 3.1Å; F405-R413 CarbonylContact O-C 3.49Å; F405-R413 VanDerWaalsContact O-CA 3.31Å; F405-R413 WeakPolarHBondContact O-CA 3.45Å; R406-R413 HydrophobicContact CB-CG 4.34Å; R406-R413 HydrophobicContact CG-CG 4.26Å; G411-R413 WeakPolarHBondContact O-CG 3.31Å; G411-R413 PolarHBondContact O-N 3.22Å |
| 414 | C | 86.1 | Confident | 85.5 | Confident | 10 Ų | 10 | 69.1 Ų | 69.1 | 7% | 0.068 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 163.2 | 176.3 | 66.7 | 0 | 0 | 0 | 0 | 113 | K403 F405 Q416 N419 L420 | K403-C414 CarbonylContact C-O 3.45Å; K403-C414 WeakPolarHBondContact CA-O 3.34Å; F405-C414 PolarHBondContact N-O 3.26Å; F405-C414 PolarHBondContact O-N 2.95Å; C414-Q416 PolarHBondContact SG-O 3.26Å; C414-Q416 VanDerWaalsContact SG-O 3.35Å; C414-N419 HydrophobicContact CB-CB 4.12Å; C414-L420 PolarHBondContact SG-N 3.43Å; C414-L420 VanDerWaalsContact SG-N 3.41Å |
| 415 | N | 83.3 | Confident | 85.7 | Confident | 43 Ų | 43 | 67.2 Ų | 67.2 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -86.9 | -6.7 | -175.6 | 61.4 | -0.4 | 0 | 0 | 0 | 114.8 | R397 | R397-N415 HydrophobicContact CB-CB 4.49Å; R397-N415 PolarHBondContact NH1-O 3.16Å |
| 416 | Q | 84.7 | Confident | 85.4 | Confident | 36 Ų | 36 | 72.6 Ų | 72.6 | 17% | 0.168 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -141.7 | 135.9 | -176.4 | -62.4 | -176.3 | 68.2 | 0 | 0 | 112.6 | R394 C414 M418 N419 L420 | R394-Q416 VanDerWaalsContact CD-CD 3.43Å; R394-Q416 HydrophobicContact CG-CG 4.36Å; C414-Q416 PolarHBondContact SG-O 3.26Å; C414-Q416 VanDerWaalsContact SG-O 3.35Å; Q416-M418 VanDerWaalsContact C-N 3.29Å; Q416-M418 HydrophobicContact CB-CG 4.28Å; Q416-M418 PolarHBondContact O-N 2.92Å; Q416-M418 VanDerWaalsContact OE1-CE 3.26Å; Q416-N419 HydrophobicContact CB-CB 4.49Å; Q416-N419 WeakPolarHBondContact O-CB 3.41Å; Q416-N419 PolarHBondContact O-N 2.91Å; Q416-L420 PolarHBondContact O-N 2.97Å |
| 417 | S | 85 | Confident | 85.1 | Confident | 53 Ų | 53 | 67.9 Ų | 67.9 | 37% | 0.371 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.3 | -37.7 | 179.3 | 179.4 | 0 | 0 | 0 | 0 | 113.4 | N419 L420 K421 | S417-N419 VanDerWaalsContact C-N 3.27Å; S417-N419 PolarHBondContact O-N 3.12Å; S417-L420 WeakPolarHBondContact O-CB 3.37Å; S417-L420 PolarHBondContact O-N 2.87Å; S417-L420 VanDerWaalsContact O-N 3.1Å; S417-K421 PolarHBondContact O-N 3.24Å |
| 418 | M | 83.9 | Confident | 84.8 | Confident | 107 Ų | 107 | 71.7 Ų | 71.7 | 53% | 0.527 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.8 | -33 | 177.1 | 74.4 | -164.8 | -161.9 | 0 | 0 | 112.8 | Q416 K421 R422 | Q416-M418 VanDerWaalsContact C-N 3.29Å; Q416-M418 HydrophobicContact CB-CG 4.28Å; Q416-M418 PolarHBondContact O-N 2.92Å; Q416-M418 VanDerWaalsContact OE1-CE 3.26Å; M418-K421 PolarHBondContact O-N 3.49Å; M418-R422 VanDerWaalsContact O-CB 3.31Å; M418-R422 WeakPolarHBondContact O-CB 3.4Å; M418-R422 PolarHBondContact O-N 3.13Å |
| 419 | N | 86.2 | Confident | 84.6 | Confident | 37 Ų | 37 | 69.9 Ų | 69.9 | 20% | 0.198 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70 | -37 | 175.2 | -70.9 | -19.4 | 0 | 0 | 0 | 110.8 | C414 Q416 S417 R422 H423 | C414-N419 HydrophobicContact CB-CB 4.12Å; Q416-N419 HydrophobicContact CB-CB 4.49Å; Q416-N419 WeakPolarHBondContact O-CB 3.41Å; Q416-N419 PolarHBondContact O-N 2.91Å; S417-N419 VanDerWaalsContact C-N 3.27Å; S417-N419 PolarHBondContact O-N 3.12Å; N419-R422 PolarHBondContact OD1-NH2 3.07Å; N419-H423 WeakPolarHBondContact O-CB 3.32Å; N419-H423 PolarHBondContact O-N 3.32Å |
| 420 | L | 87 | Confident | 84.3 | Confident | 32 Ų | 32 | 73.5 Ų | 73.5 | 17% | 0.168 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.8 | -48.9 | 172.7 | -177.9 | 59 | 0 | 0 | 0 | 111.4 | F405 C407 C414 Q416 S417 R422 H423 M424 | F405-L420 HydrophobicContact CB-CB 4.22Å; F405-L420 HydrophobicContact CB-CD2 4.03Å; C407-L420 HydrophobicContact CB-CD1 3.77Å; C414-L420 PolarHBondContact SG-N 3.43Å; C414-L420 VanDerWaalsContact SG-N 3.41Å; Q416-L420 PolarHBondContact O-N 2.97Å; S417-L420 WeakPolarHBondContact O-CB 3.37Å; S417-L420 PolarHBondContact O-N 2.87Å; S417-L420 VanDerWaalsContact O-N 3.1Å; L420-R422 VanDerWaalsContact C-N 3.31Å; L420-R422 PolarHBondContact O-N 3.38Å; L420-H423 WeakPolarHBondContact O-CB 3.47Å; L420-H423 PolarHBondContact O-N 3.12Å; L420-H423 VanDerWaalsContact O-N 3.13Å; L420-M424 WeakPolarHBondContact O-CG 3.27Å; L420-M424 PolarHBondContact O-N 2.82Å |
| 421 | K | 84.4 | Confident | 84.1 | Confident | 151 Ų | 151 | 77 Ų | 77 | 66% | 0.657 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -56.5 | -44.8 | 177.2 | -69.7 | -172.9 | 179.7 | -170.7 | 0 | 111.9 | S417 M418 M424 | S417-K421 PolarHBondContact O-N 3.24Å; M418-K421 PolarHBondContact O-N 3.49Å; K421-M424 PolarHBondContact O-N 3.4Å |
| 422 | R | 83.4 | Confident | 84 | Confident | 88 Ų | 88 | 79.3 Ų | 79.3 | 33% | 0.332 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 175.5 | -178.6 | 163.7 | 59.6 | 166.7 | -3.6 | 112.3 | M418 N419 L420 M424 L425 D446 | M418-R422 VanDerWaalsContact O-CB 3.31Å; M418-R422 WeakPolarHBondContact O-CB 3.4Å; M418-R422 PolarHBondContact O-N 3.13Å; N419-R422 PolarHBondContact OD1-NH2 3.07Å; L420-R422 VanDerWaalsContact C-N 3.31Å; L420-R422 PolarHBondContact O-N 3.38Å; R422-M424 VanDerWaalsContact C-N 3.31Å; R422-M424 PolarHBondContact O-N 3.19Å; R422-L425 VanDerWaalsContact O-CB 3.3Å; R422-L425 WeakPolarHBondContact O-CB 3.25Å; R422-L425 PolarHBondContact O-N 3Å; R422-L425 VanDerWaalsContact O-N 3.16Å; R422-D446 IonicContact NH1-OD2 3.47Å; R422-D446 PolarHBondContact NH1-OD2 3.38Å |
| 423 | H | 87.1 | Confident | 83.8 | Confident | 24 Ų | 24 | 77.7 Ų | 77.7 | 11% | 0.111 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.5 | -36.5 | 174.3 | 173.3 | 102.3 | 0 | 0 | 0 | 112.5 | C410 H412 N419 L420 L425 R426 H427 | C410-H423 VanDerWaalsContact SG-CE1 3.6Å; C410-H423 PolarHBondContact SG-NE2 2.82Å; H412-H423 AromaticContact CD2-CE1 3.54Å; H412-H423 AromaticContact CD2-ND1 3.42Å; H412-H423 PolarHBondContact CD2-ND1 2.87Å; H412-H423 AromaticContact CG-CE1 3.56Å; H412-H423 AromaticContact CG-ND1 3.89Å; N419-H423 WeakPolarHBondContact O-CB 3.32Å; N419-H423 PolarHBondContact O-N 3.32Å; L420-H423 WeakPolarHBondContact O-CB 3.47Å; L420-H423 PolarHBondContact O-N 3.12Å; L420-H423 VanDerWaalsContact O-N 3.13Å; H423-L425 PolarHBondContact O-N 3.48Å; H423-R426 PolarHBondContact CE1-NH2 2.88Å; H423-R426 WeakPolarHBondContact O-CB 3.43Å; H423-R426 PolarHBondContact O-N 3.11Å; H423-H427 AromaticContact CD2-CD2 3.84Å; H423-H427 AromaticContact CD2-NE2 3.53Å; H423-H427 AromaticContact CE1-NE2 3.96Å; H423-H427 AromaticContact NE2-CD2 3.78Å; H423-H427 AromaticContact NE2-CE1 4Å; H423-H427 AromaticContact NE2-NE2 2.98Å; H423-H427 PolarHBondContact NE2-NE2 3.34Å |
| 424 | M | 83.4 | Confident | 83.8 | Confident | 60 Ų | 60 | 73.9 Ų | 73.9 | 30% | 0.296 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.8 | -20.5 | 175.9 | -66 | -57.5 | -62.5 | 0 | 0 | 113.8 | V409 L420 K421 R422 R426 H427 T428 | V409-M424 HydrophobicContact CG2-CE 3.96Å; L420-M424 WeakPolarHBondContact O-CG 3.27Å; L420-M424 PolarHBondContact O-N 2.82Å; K421-M424 PolarHBondContact O-N 3.4Å; R422-M424 VanDerWaalsContact C-N 3.31Å; R422-M424 PolarHBondContact O-N 3.19Å; M424-R426 PolarHBondContact O-N 3.19Å; M424-H427 PolarHBondContact O-N 3.46Å; M424-T428 PolarHBondContact O-N 3.3Å; M424-T428 VanDerWaalsContact O-N 3.12Å; M424-T428 PolarHBondContact O-OG1 3.48Å |
| 425 | L | 85.5 | Confident | 83.9 | Confident | 35 Ų | 35 | 73.8 Ų | 73.8 | 18% | 0.183 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.5 | -27.2 | 172.1 | -60.8 | 175.5 | 0 | 0 | 0 | 112.1 | R422 H423 T428 G429 R430 P432 A443 | R422-L425 VanDerWaalsContact O-CB 3.3Å; R422-L425 WeakPolarHBondContact O-CB 3.25Å; R422-L425 PolarHBondContact O-N 3Å; R422-L425 VanDerWaalsContact O-N 3.16Å; H423-L425 PolarHBondContact O-N 3.48Å; L425-T428 WeakPolarHBondContact CA-OG1 3.4Å; L425-G429 PolarHBondContact O-N 2.87Å; L425-R430 HydrophobicContact CD2-CB 4.05Å; L425-R430 PolarHBondContact O-N 3.2Å; L425-P432 HydrophobicContact CD1-CG 4.09Å; L425-P432 HydrophobicContact CD2-CG 4.18Å; L425-A443 HydrophobicContact CB-CB 3.84Å; L425-A443 HydrophobicContact CD1-CB 4.09Å; L425-A443 WeakPolarHBondContact CD1-O 3.27Å |
| 426 | R | 82.2 | Confident | 84 | Confident | 177 Ų | 177 | 77.1 Ų | 77.1 | 67% | 0.668 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -69.1 | -39.1 | 175.1 | -170.4 | 174.6 | 66.9 | 172.9 | 7.1 | 112.4 | H423 M424 | H423-R426 PolarHBondContact CE1-NH2 2.88Å; H423-R426 WeakPolarHBondContact O-CB 3.43Å; H423-R426 PolarHBondContact O-N 3.11Å; M424-R426 PolarHBondContact O-N 3.19Å |
| 427 | H | 82.2 | Confident | 84 | Confident | 65 Ų | 65 | 84 Ų | 84 | 30% | 0.301 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -74.6 | -31.1 | 177.9 | -62.3 | -58.1 | 0 | 0 | 0 | 112.8 | C407 C410 H423 M424 | C407-H427 PolarHBondContact SG-NE2 3.13Å; C407-H427 VanDerWaalsContact SG-NE2 3.43Å; C410-H427 VanDerWaalsContact SG-CE1 3.54Å; C410-H427 PolarHBondContact SG-NE2 3.36Å; C410-H427 VanDerWaalsContact SG-NE2 3.36Å; H423-H427 AromaticContact CD2-CD2 3.84Å; H423-H427 AromaticContact CD2-NE2 3.53Å; H423-H427 AromaticContact CE1-NE2 3.96Å; H423-H427 AromaticContact NE2-CD2 3.78Å; H423-H427 AromaticContact NE2-CE1 4Å; H423-H427 AromaticContact NE2-NE2 2.98Å; H423-H427 PolarHBondContact NE2-NE2 3.34Å; M424-H427 PolarHBondContact O-N 3.46Å |
| 428 | T | 80.3 | Confident | 84.2 | Confident | 82 Ų | 82 | 84.6 Ų | 84.6 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -93.9 | -1.9 | -178.4 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | M424 L425 R430 | M424-T428 PolarHBondContact O-N 3.3Å; M424-T428 VanDerWaalsContact O-N 3.12Å; M424-T428 PolarHBondContact O-OG1 3.48Å; L425-T428 WeakPolarHBondContact CA-OG1 3.4Å; T428-R430 PolarHBondContact O-N 3.21Å |
| 429 | G | 80 | Confident | 84.1 | Confident | 56 Ų | 56 | 82.5 Ų | 82.5 | 58% | 0.577 | 44% | 0.439 | S | S | * | . | trans | 63.4 | -4.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L425 K431 | L425-G429 PolarHBondContact O-N 2.87Å; G429-K431 PolarHBondContact O-N 3.14Å | ||
| 430 | R | 79.1 | Confident | 84.1 | Confident | 174 Ų | 174 | 85.1 Ų | 85.1 | 66% | 0.657 | 45% | 0.447 | S | S | * | . | trans | -66.6 | 127.2 | -172.6 | -65.6 | -172.6 | 74.8 | -161.1 | 3.8 | 110.9 | L425 T428 P432 | L425-R430 HydrophobicContact CD2-CB 4.05Å; L425-R430 PolarHBondContact O-N 3.2Å; T428-R430 PolarHBondContact O-N 3.21Å; R430-P432 WeakPolarHBondContact O-CD 3.36Å | ||
| 431 | K | 83.7 | Confident | 84 | Confident | 133 Ų | 133 | 85.1 Ų | 85.1 | 58% | 0.578 | 45% | 0.451 | S | S | * | . | trans | -115.5 | 86.8 | 178 | -69.6 | 166.4 | 174.6 | -175.1 | 0 | 109.4 | G429 H433 A441 T442 | G429-K431 PolarHBondContact O-N 3.14Å; K431-H433 PolarHBondContact O-N 3.04Å; K431-A441 HydrophobicContact CB-CB 3.86Å; K431-A441 HydrophobicContact CD-CB 4.04Å; K431-A441 WeakPolarHBondContact CD-O 3.29Å; K431-T442 CarbonylContact C-O 3.56Å | ||
| 432 | P | 80 | Confident | 84 | Confident | 75 Ų | 75 | 78.5 Ų | 78.5 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | trans | -72.3 | -11 | -170.3 | -17.4 | 33 | 0 | 0 | 0 | 114.5 | L425 R430 | L425-P432 HydrophobicContact CD1-CG 4.09Å; L425-P432 HydrophobicContact CD2-CG 4.18Å; R430-P432 WeakPolarHBondContact O-CD 3.36Å | ||
| 433 | H | 84.3 | Confident | 83.9 | Confident | 53 Ų | 53 | 75.3 Ų | 75.3 | 25% | 0.245 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 100.9 | -175.7 | -51.1 | -63.8 | 0 | 0 | 0 | 109.2 | K431 A441 T442 W445 Y448 | K431-H433 PolarHBondContact O-N 3.04Å; H433-A441 CarbonylContact O-C 3.46Å; H433-A441 WeakPolarHBondContact O-CA 3.4Å; H433-T442 HydrophobicContact CB-CG2 4.27Å; H433-T442 PolarHBondContact N-O 2.79Å; H433-T442 PolarHBondContact O-N 3.06Å; H433-W445 PolarHBondContact CD2-N 2.84Å; H433-W445 AromaticContact CE1-CE3 3.86Å; H433-W445 AromaticContact ND1-CE3 3.63Å; H433-Y448 HydrophobicContact CB-CD1 4.28Å; H433-Y448 HydrophobicContact CB-CD2 3.8Å; H433-Y448 HydrophobicContact CB-CG 3.65Å |
| 434 | A | 87.6 | Confident | 83.6 | Confident | 60 Ų | 60 | 77.5 Ų | 77.5 | 50% | 0.496 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y440 A441 Y448 | A434-Y440 CarbonylContact C-O 3.59Å; A434-Y440 WeakPolarHBondContact CA-O 3.49Å; A434-A441 HydrophobicContact CB-CB 3.99Å; A434-Y448 WeakPolarHBondContact O-CE2 3.42Å |
| 435 | C | 89.3 | Confident | 83.6 | Confident | 9 Ų | 9 | 80.1 Ų | 80.1 | 6% | 0.061 | 43% | 0.433 | C | S | . | . | trans | -84 | 115 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 110 | R437 C438 G439 Y440 Y448 | C435-R437 PolarHBondContact O-N 3.38Å; C435-C438 PolarHBondContact O-N 2.89Å; C435-G439 WeakPolarHBondContact O-CA 3.38Å; C435-G439 PolarHBondContact O-N 3.32Å; C435-Y440 PolarHBondContact N-O 3.2Å; C435-Y448 HydrophobicContact CB-CE2 4.2Å | ||
| 436 | A | 84.5 | Confident | 83.6 | Confident | 112 Ų | 112 | 83 Ų | 83 | 93% | 0.926 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 437 | R | 84.9 | Confident | 83.8 | Confident | 180 Ų | 180 | 76.9 Ų | 76.9 | 68% | 0.679 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -19.7 | -175.1 | -165.4 | 169.3 | 176.8 | -172.8 | -7.7 | 114.7 | C435 H455 | C435-R437 PolarHBondContact O-N 3.38Å; R437-H455 PolarHBondContact NH1-O 2.82Å |
| 438 | C | 89.6 | Confident | 84.1 | Confident | 67 Ų | 67 | 75.4 Ų | 75.4 | 45% | 0.453 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.9 | 12.5 | -177.7 | 68.7 | 0 | 0 | 0 | 0 | 115.4 | C435 Y440 H451 H455 | C435-C438 PolarHBondContact O-N 2.89Å; C438-Y440 PolarHBondContact O-N 3.06Å; C438-H451 PolarHBondContact SG-CE1 2.93Å; C438-H451 PolarHBondContact SG-NE2 2.73Å; C438-H455 VanDerWaalsContact SG-CE1 3.58Å; C438-H455 PolarHBondContact SG-NE2 3.36Å |
| 439 | G | 81.7 | Confident | 84.4 | Confident | 63 Ų | 63 | 76.6 Ų | 76.6 | 65% | 0.649 | 42% | 0.419 | S | S | * | . | trans | 71.8 | -5.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | C435 A441 | C435-G439 WeakPolarHBondContact O-CA 3.38Å; C435-G439 PolarHBondContact O-N 3.32Å; G439-A441 PolarHBondContact O-N 3.39Å; G439-A441 VanDerWaalsContact O-N 3.12Å | ||
| 440 | Y | 87.2 | Confident | 84.8 | Confident | 92 Ų | 92 | 81.2 Ų | 81.2 | 36% | 0.361 | 42% | 0.419 | S | S | . | . | trans | -58.5 | 118.1 | 179 | 176.2 | -95.9 | 0 | 0 | 0 | 111.6 | A434 C435 C438 T442 H451 | A434-Y440 CarbonylContact C-O 3.59Å; A434-Y440 WeakPolarHBondContact CA-O 3.49Å; C435-Y440 PolarHBondContact N-O 3.2Å; C438-Y440 PolarHBondContact O-N 3.06Å; Y440-T442 HydrophobicContact CE1-CG2 3.83Å; Y440-H451 WeakPolarHBondContact CB-CE1 3.46Å; Y440-H451 HydrophobicContact CD1-CB 3.8Å; Y440-H451 AromaticContact CD1-CD2 3.61Å; Y440-H451 AromaticContact CD1-CE1 3.94Å; Y440-H451 AromaticContact CD1-CG 3.32Å; Y440-H451 AromaticContact CD1-ND1 3.54Å; Y440-H451 AromaticContact CD1-NE2 3.99Å; Y440-H451 HydrophobicContact CE1-CB 3.76Å; Y440-H451 AromaticContact CE1-CG 3.8Å; Y440-H451 AromaticContact CG-CE1 3.65Å; Y440-H451 AromaticContact CG-CG 3.83Å; Y440-H451 AromaticContact CG-ND1 3.54Å; Y440-H451 AromaticContact CG-NE2 3.97Å | ||
| 441 | A | 84.6 | Confident | 85.3 | Confident | 31 Ų | 31 | 74.4 Ų | 74.4 | 26% | 0.256 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | K431 H433 A434 G439 | K431-A441 HydrophobicContact CB-CB 3.86Å; K431-A441 HydrophobicContact CD-CB 4.04Å; K431-A441 WeakPolarHBondContact CD-O 3.29Å; H433-A441 CarbonylContact O-C 3.46Å; H433-A441 WeakPolarHBondContact O-CA 3.4Å; A434-A441 HydrophobicContact CB-CB 3.99Å; G439-A441 PolarHBondContact O-N 3.39Å; G439-A441 VanDerWaalsContact O-N 3.12Å |
| 442 | T | 84.5 | Confident | 85.4 | Confident | 13 Ų | 13 | 71.8 Ų | 71.8 | 8% | 0.08 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 153.4 | -178.4 | -172.3 | 0 | 0 | 0 | 0 | 113 | K431 H433 Y440 H444 N447 | K431-T442 CarbonylContact C-O 3.56Å; H433-T442 HydrophobicContact CB-CG2 4.27Å; H433-T442 PolarHBondContact N-O 2.79Å; H433-T442 PolarHBondContact O-N 3.06Å; Y440-T442 HydrophobicContact CE1-CG2 3.83Å; T442-H444 VanDerWaalsContact C-N 3.3Å; T442-H444 VanDerWaalsContact CG2-O 3.29Å; T442-H444 WeakPolarHBondContact CG2-O 3.37Å; T442-H444 PolarHBondContact OG1-N 3.34Å; T442-N447 HydrophobicContact CG2-CB 4.06Å |
| 443 | A | 81.6 | Confident | 85.9 | Confident | 20 Ų | 20 | 77.7 Ų | 77.7 | 17% | 0.165 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -79.9 | -9.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L425 | L425-A443 HydrophobicContact CB-CB 3.84Å; L425-A443 HydrophobicContact CD1-CB 4.09Å; L425-A443 WeakPolarHBondContact CD1-O 3.27Å |
| 444 | H | 80.4 | Confident | 86.2 | Confident | 70 Ų | 70 | 83.5 Ų | 83.5 | 32% | 0.324 | 42% | 0.422 | S | S | . | . | trans | -120.9 | 119.1 | -173.5 | -71.5 | -119.7 | 0 | 0 | 0 | 111.6 | T442 D446 N447 Y448 | T442-H444 VanDerWaalsContact C-N 3.3Å; T442-H444 VanDerWaalsContact CG2-O 3.29Å; T442-H444 WeakPolarHBondContact CG2-O 3.37Å; T442-H444 PolarHBondContact OG1-N 3.34Å; H444-D446 PolarHBondContact O-N 3.13Å; H444-N447 HydrophobicContact CB-CB 4.21Å; H444-N447 WeakPolarHBondContact O-CB 3.18Å; H444-N447 PolarHBondContact O-N 3.03Å; H444-N447 VanDerWaalsContact O-N 3.13Å; H444-Y448 PolarHBondContact O-N 2.83Å; H444-Y448 VanDerWaalsContact O-N 3.08Å | ||
| 445 | W | 83.1 | Confident | 85.9 | Confident | 116 Ų | 116 | 85.6 Ų | 85.6 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -52.5 | -38.8 | 175.9 | 176.9 | -115.1 | 0 | 0 | 0 | 113.8 | H433 N447 Y448 K449 | H433-W445 PolarHBondContact CD2-N 2.84Å; H433-W445 AromaticContact CE1-CE3 3.86Å; H433-W445 AromaticContact ND1-CE3 3.63Å; W445-N447 VanDerWaalsContact C-N 3.33Å; W445-N447 PolarHBondContact O-N 3.45Å; W445-Y448 AromaticContact CE3-CD1 3.57Å; W445-Y448 HydrophobicContact CE3-CD1 3.57Å; W445-Y448 HydrophobicContact CE3-CE1 4.23Å; W445-Y448 HydrophobicContact CE3-CG 4.39Å; W445-Y448 HydrophobicContact CH2-CD1 4.14Å; W445-Y448 HydrophobicContact CH2-CE1 4.14Å; W445-Y448 AromaticContact CZ3-CD1 3.32Å; W445-Y448 HydrophobicContact CZ3-CD1 3.32Å; W445-Y448 AromaticContact CZ3-CE1 3.51Å; W445-Y448 HydrophobicContact CZ3-CE1 3.51Å; W445-Y448 HydrophobicContact CZ3-CG 4.45Å; W445-Y448 WeakPolarHBondContact O-CB 3.11Å; W445-Y448 PolarHBondContact O-N 3.13Å; W445-Y448 VanDerWaalsContact O-N 3.14Å; W445-K449 HydrophobicContact CD2-CG 4.38Å; W445-K449 HydrophobicContact CH2-CG 4.46Å; W445-K449 HydrophobicContact CZ2-CD 4.12Å; W445-K449 VanDerWaalsContact CZ2-CE 3.41Å; W445-K449 HydrophobicContact CZ2-CG 3.89Å; W445-K449 PolarHBondContact O-N 2.7Å |
| 446 | D | 85.4 | Confident | 85.8 | Confident | 94 Ų | 94 | 89.4 Ų | 89.4 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | -178.3 | -45.1 | -56.7 | 0 | 0 | 0 | 111.5 | R422 H444 R450 | R422-D446 IonicContact NH1-OD2 3.47Å; R422-D446 PolarHBondContact NH1-OD2 3.38Å; H444-D446 PolarHBondContact O-N 3.13Å; D446-R450 WeakPolarHBondContact O-CB 3.41Å; D446-R450 PolarHBondContact O-N 2.84Å |
| 447 | N | 86.6 | Confident | 85.8 | Confident | 49 Ų | 49 | 88.2 Ų | 88.2 | 26% | 0.262 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.8 | -38.6 | 173 | -73.1 | -25.3 | 0 | 0 | 0 | 111.4 | T442 H444 W445 R450 H451 | T442-N447 HydrophobicContact CG2-CB 4.06Å; H444-N447 HydrophobicContact CB-CB 4.21Å; H444-N447 WeakPolarHBondContact O-CB 3.18Å; H444-N447 PolarHBondContact O-N 3.03Å; H444-N447 VanDerWaalsContact O-N 3.13Å; W445-N447 VanDerWaalsContact C-N 3.33Å; W445-N447 PolarHBondContact O-N 3.45Å; N447-R450 PolarHBondContact O-N 3.1Å; N447-R450 PolarHBondContact OD1-NH2 2.79Å; N447-H451 VanDerWaalsContact O-CB 3.28Å; N447-H451 WeakPolarHBondContact O-CB 3.43Å; N447-H451 PolarHBondContact O-N 2.83Å |
| 448 | Y | 87.9 | Confident | 85.9 | Confident | 34 Ų | 34 | 83.1 Ų | 83.1 | 13% | 0.133 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.2 | -50 | 175.6 | 176.1 | -101.4 | 0 | 0 | 0 | 111.6 | H433 A434 C435 H444 W445 R450 H451 Q452 | H433-Y448 HydrophobicContact CB-CD1 4.28Å; H433-Y448 HydrophobicContact CB-CD2 3.8Å; H433-Y448 HydrophobicContact CB-CG 3.65Å; A434-Y448 WeakPolarHBondContact O-CE2 3.42Å; C435-Y448 HydrophobicContact CB-CE2 4.2Å; H444-Y448 PolarHBondContact O-N 2.83Å; H444-Y448 VanDerWaalsContact O-N 3.08Å; W445-Y448 AromaticContact CE3-CD1 3.57Å; W445-Y448 HydrophobicContact CE3-CD1 3.57Å; W445-Y448 HydrophobicContact CE3-CE1 4.23Å; W445-Y448 HydrophobicContact CE3-CG 4.39Å; W445-Y448 HydrophobicContact CH2-CD1 4.14Å; W445-Y448 HydrophobicContact CH2-CE1 4.14Å; W445-Y448 AromaticContact CZ3-CD1 3.32Å; W445-Y448 HydrophobicContact CZ3-CD1 3.32Å; W445-Y448 AromaticContact CZ3-CE1 3.51Å; W445-Y448 HydrophobicContact CZ3-CE1 3.51Å; W445-Y448 HydrophobicContact CZ3-CG 4.45Å; W445-Y448 WeakPolarHBondContact O-CB 3.11Å; W445-Y448 PolarHBondContact O-N 3.13Å; W445-Y448 VanDerWaalsContact O-N 3.14Å; Y448-R450 VanDerWaalsContact C-N 3.31Å; Y448-R450 PolarHBondContact O-N 3.33Å; Y448-H451 CarbonylContact O-C 3.53Å; Y448-H451 WeakPolarHBondContact O-CB 3.25Å; Y448-H451 PolarHBondContact O-N 3.12Å; Y448-H451 VanDerWaalsContact O-N 3.14Å; Y448-Q452 HydrophobicContact CD1-CG 4.19Å; Y448-Q452 HydrophobicContact CE1-CG 3.77Å; Y448-Q452 HydrophobicContact CE2-CG 4.09Å; Y448-Q452 VanDerWaalsContact CZ-CD 3.42Å; Y448-Q452 WeakPolarHBondContact O-CG 3.09Å; Y448-Q452 PolarHBondContact O-N 2.78Å; Y448-Q452 PolarHBondContact OH-NE2 3.1Å; Y448-Q452 VanDerWaalsContact OH-NE2 3.11Å |
| 449 | K | 87.8 | Confident | 85.7 | Confident | 108 Ų | 108 | 84.1 Ų | 84.1 | 47% | 0.47 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.6 | -36.1 | 175 | -89.7 | -159.2 | 170.8 | -162.1 | 0 | 113.5 | W445 R453 | W445-K449 HydrophobicContact CD2-CG 4.38Å; W445-K449 HydrophobicContact CH2-CG 4.46Å; W445-K449 HydrophobicContact CZ2-CD 4.12Å; W445-K449 VanDerWaalsContact CZ2-CE 3.41Å; W445-K449 HydrophobicContact CZ2-CG 3.89Å; W445-K449 PolarHBondContact O-N 2.7Å; K449-R453 PolarHBondContact O-N 2.84Å; K449-R453 PolarHBondContact O-NE 3.02Å |
| 450 | R | 88.1 | Confident | 85.9 | Confident | 153 Ų | 153 | 85.4 Ų | 85.4 | 58% | 0.577 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -69.9 | -37.6 | 174.8 | 176.2 | 167.5 | 55.6 | 173.3 | -3.6 | 111.7 | D446 N447 Y448 | D446-R450 WeakPolarHBondContact O-CB 3.41Å; D446-R450 PolarHBondContact O-N 2.84Å; N447-R450 PolarHBondContact O-N 3.1Å; N447-R450 PolarHBondContact OD1-NH2 2.79Å; Y448-R450 VanDerWaalsContact C-N 3.31Å; Y448-R450 PolarHBondContact O-N 3.33Å |
| 451 | H | 88.9 | Confident | 85.8 | Confident | 31 Ų | 31 | 84.9 Ų | 84.9 | 14% | 0.144 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.1 | -42.8 | 174.3 | 171.3 | 87 | 0 | 0 | 0 | 112.1 | C438 Y440 N447 Y448 R453 K454 H455 | C438-H451 PolarHBondContact SG-CE1 2.93Å; C438-H451 PolarHBondContact SG-NE2 2.73Å; Y440-H451 WeakPolarHBondContact CB-CE1 3.46Å; Y440-H451 HydrophobicContact CD1-CB 3.8Å; Y440-H451 AromaticContact CD1-CD2 3.61Å; Y440-H451 AromaticContact CD1-CE1 3.94Å; Y440-H451 AromaticContact CD1-CG 3.32Å; Y440-H451 AromaticContact CD1-ND1 3.54Å; Y440-H451 AromaticContact CD1-NE2 3.99Å; Y440-H451 HydrophobicContact CE1-CB 3.76Å; Y440-H451 AromaticContact CE1-CG 3.8Å; Y440-H451 AromaticContact CG-CE1 3.65Å; Y440-H451 AromaticContact CG-CG 3.83Å; Y440-H451 AromaticContact CG-ND1 3.54Å; Y440-H451 AromaticContact CG-NE2 3.97Å; N447-H451 VanDerWaalsContact O-CB 3.28Å; N447-H451 WeakPolarHBondContact O-CB 3.43Å; N447-H451 PolarHBondContact O-N 2.83Å; Y448-H451 CarbonylContact O-C 3.53Å; Y448-H451 WeakPolarHBondContact O-CB 3.25Å; Y448-H451 PolarHBondContact O-N 3.12Å; Y448-H451 VanDerWaalsContact O-N 3.14Å; H451-R453 PolarHBondContact O-N 3.22Å; H451-K454 WeakPolarHBondContact O-CB 3.38Å; H451-K454 PolarHBondContact O-N 3.42Å; H451-H455 AromaticContact CD2-NE2 3.97Å; H451-H455 AromaticContact CE1-NE2 3.52Å; H451-H455 AromaticContact NE2-CD2 3.67Å; H451-H455 AromaticContact NE2-NE2 3.07Å; H451-H455 PolarHBondContact NE2-NE2 2.98Å |
| 452 | Q | 86.8 | Confident | 85.9 | Confident | 78 Ų | 78 | 88.8 Ų | 88.8 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -56.9 | -34.7 | 177 | -78.9 | -169.2 | -64.1 | 0 | 0 | 112.7 | Y448 K454 H455 | Y448-Q452 HydrophobicContact CD1-CG 4.19Å; Y448-Q452 HydrophobicContact CE1-CG 3.77Å; Y448-Q452 HydrophobicContact CE2-CG 4.09Å; Y448-Q452 VanDerWaalsContact CZ-CD 3.42Å; Y448-Q452 WeakPolarHBondContact O-CG 3.09Å; Y448-Q452 PolarHBondContact O-N 2.78Å; Y448-Q452 PolarHBondContact OH-NE2 3.1Å; Y448-Q452 VanDerWaalsContact OH-NE2 3.11Å; Q452-K454 PolarHBondContact O-N 3.25Å; Q452-K454 VanDerWaalsContact O-N 3.15Å; Q452-H455 PolarHBondContact O-N 3.39Å |
| 453 | R | 90.3 | Very high | 86 | Confident | 199 Ų | 199 | 94.6 Ų | 94.6 | 75% | 0.751 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -0 | 176.2 | -77.8 | -176.9 | -78.5 | 160.5 | -9.5 | 115 | K449 H451 | K449-R453 PolarHBondContact O-N 2.84Å; K449-R453 PolarHBondContact O-NE 3.02Å; H451-R453 PolarHBondContact O-N 3.22Å |
| 454 | K | 88.8 | Confident | 86.4 | Confident | 175 Ų | 175 | 100.8 Ų | 100.8 | 76% | 0.761 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 4.6 | 171.7 | -60.6 | -168.1 | 169.2 | -159.5 | 0 | 113.1 | H451 Q452 | H451-K454 WeakPolarHBondContact O-CB 3.38Å; H451-K454 PolarHBondContact O-N 3.42Å; Q452-K454 PolarHBondContact O-N 3.25Å; Q452-K454 VanDerWaalsContact O-N 3.15Å |
| 455 | H | 82.6 | Confident | 86.9 | Confident | 103 Ų | 103 | 103.6 Ų | 103.6 | 48% | 0.477 | 44% | 0.444 | S | S | . | . | trans | -127.4 | 0 | -176.7 | -66.2 | -81.7 | 0 | 0 | 0 | 110.5 | R437 C438 H451 Q452 | R437-H455 PolarHBondContact NH1-O 2.82Å; C438-H455 VanDerWaalsContact SG-CE1 3.58Å; C438-H455 PolarHBondContact SG-NE2 3.36Å; H451-H455 AromaticContact CD2-NE2 3.97Å; H451-H455 AromaticContact CE1-NE2 3.52Å; H451-H455 AromaticContact NE2-CD2 3.67Å; H451-H455 AromaticContact NE2-NE2 3.07Å; H451-H455 PolarHBondContact NE2-NE2 2.98Å; Q452-H455 PolarHBondContact O-N 3.39Å |
Retrieved 455 of 455 residues in 110.4 ms
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