| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.4 | Very low | 37.8 | Very low | 237 Ų | 237 | 137.1 Ų | 137.1 | 100% | 1.167 | 80% | 0.795 | S | S | * | * | 0 | 110 | 0 | -80.1 | -70 | -166.9 | 0 | 0 | 106.5 | |||||
| 2 | A | 36.4 | Very low | 37.9 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | trans | 61.5 | 142.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 3 | T | 44.7 | Very low | 38.6 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | cis | -136.6 | 150.7 | -18.9 | 53.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 4 | D | 38 | Very low | 38.3 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | cis | 66.4 | 127.9 | 48.7 | -54.6 | 111.7 | 0 | 0 | 0 | 112.1 | ||||
| 5 | T | 43.9 | Very low | 38 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | cis | -140.6 | 176.6 | 11.7 | 50.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 6 | S | 39.9 | Very low | 38 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | cis | 76 | 139.2 | 23.5 | -69.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 7 | Q | 40 | Very low | 38.5 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | cis | -174 | 167.8 | -20.2 | -120.9 | -80.2 | 4.2 | 0 | 0 | 107.8 | ||||
| 8 | G | 32.3 | Very low | 38.3 | Very low | 58 Ų | 58 | 136.6 Ų | 136.6 | 60% | 0.598 | 78% | 0.781 | S | S | * | * | trans | 97.4 | 160.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 9 | E | 36.5 | Very low | 38.1 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | cis | -167.1 | 155.4 | -17.7 | -134.5 | -161.5 | 139 | 0 | 0 | 113.9 | ||||
| 10 | L | 35.8 | Very low | 37.9 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | trans | 55.8 | 168.4 | 157 | -69.4 | 169.3 | 0 | 0 | 0 | 120.5 | ||||
| 11 | V | 33.3 | Very low | 37.6 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | cis | -136.2 | 159.5 | 1.7 | -153.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 12 | H | 39 | Very low | 37.6 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | trans | -91.7 | 158.2 | 164.9 | -95.1 | -72.4 | 0 | 0 | 0 | 113.9 | K14 | H12-K14 HydrophobicContact CB-CD 4.23Å; H12-K14 PolarHBondContact CD2-NZ 3.34Å; H12-K14 PolarHBondContact NE2-NZ 2.82Å | ||
| 13 | P | 48.1 | Very low | 37.6 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -102.7 | 161.5 | 139 | 35.7 | -30.1 | 0 | 0 | 0 | 111.7 | ||||
| 14 | K | 34.1 | Very low | 37.1 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | -160.2 | 112.5 | -171.2 | -126.5 | 142.2 | 178.1 | 165.3 | 0 | 117.8 | H12 | H12-K14 HydrophobicContact CB-CD 4.23Å; H12-K14 PolarHBondContact CD2-NZ 3.34Å; H12-K14 PolarHBondContact NE2-NZ 2.82Å | ||
| 15 | A | 34.1 | Very low | 36.9 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | trans | 63.1 | 145.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 16 | L | 37.2 | Very low | 36.6 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 35.1 | 147 | 138.3 | -64.5 | 178.1 | 0 | 0 | 0 | 121.4 | ||||
| 17 | P | 46.8 | Very low | 36.5 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | -155.3 | -159.2 | 55.5 | 44.5 | -21.8 | 0 | 0 | 0 | 117.7 | |||||
| 18 | L | 34.7 | Very low | 36.1 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | -77.4 | 164.7 | 174.2 | -54.7 | 110.1 | 0 | 0 | 0 | 113.4 | ||||
| 19 | I | 34.7 | Very low | 36.4 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | 179.6 | 159.1 | 116.5 | -93.3 | 161.3 | 0 | 0 | 0 | 114.2 | |||||
| 20 | V | 35 | Very low | 36.4 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | trans | -50 | 146.5 | 178.3 | -179.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 21 | G | 30 | Very low | 36.2 | Very low | 75 Ų | 75 | 133.4 Ų | 133.4 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -160.2 | 154.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 22 | A | 35.3 | Very low | 36.3 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -145 | 179.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 23 | Q | 35.2 | Very low | 36.1 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | 88.4 | 151.8 | -178.9 | -63.2 | -173 | 68.9 | 0 | 0 | 115.9 | ||||
| 24 | L | 35.1 | Very low | 35.7 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | cis | -168 | 164 | -29.1 | -159.9 | 73.4 | 0 | 0 | 0 | 108.3 | ||||
| 25 | I | 34.9 | Very low | 35.8 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 67% | 0.672 | 78% | 0.782 | S | S | * | * | trans | 46.5 | 121.9 | 167.3 | -2 | 171.2 | 0 | 0 | 0 | 119.3 | ||||
| 26 | H | 36.8 | Very low | 35.9 | Very low | 193 Ų | 193 | 141.4 Ų | 141.4 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | -153.1 | 157.7 | 102.2 | -105.4 | -79.5 | 0 | 0 | 0 | 108.8 | |||||
| 27 | A | 37.8 | Very low | 35.7 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | -138 | -179.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 28 | D | 31 | Very low | 35.2 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | trans | 72.9 | 143.8 | 172.5 | -75.8 | -5.9 | 0 | 0 | 0 | 117.3 | ||||
| 29 | K | 39.4 | Very low | 35.3 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | cis | -165 | -175.1 | -21.2 | -131.9 | -174.1 | -153.7 | 82.7 | 0 | 110 | ||||
| 30 | L | 35.9 | Very low | 36 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | 74.9 | 135.8 | 173.9 | -45 | 178.4 | 0 | 0 | 0 | 114.2 | ||||
| 31 | G | 32.5 | Very low | 36.3 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | cis | 99.3 | 134.1 | 4.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 32 | E | 34.7 | Very low | 36.6 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | cis | -162.1 | -177.3 | 6 | -156.6 | -172.1 | 90.3 | 0 | 0 | 110.5 | ||||
| 33 | K | 35 | Very low | 36.5 | Very low | 172 Ų | 172 | 151.8 Ų | 151.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | 77.3 | 124.8 | 174.3 | -52.1 | -164.3 | 176 | -160.9 | 0 | 116.4 | ||||
| 34 | V | 38.8 | Very low | 36.3 | Very low | 131 Ų | 131 | 149.2 Ų | 149.2 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | cis | 78 | 108.1 | 7.6 | -163.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 35 | E | 36 | Very low | 36.1 | Very low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | 165.5 | 105.2 | 137.4 | -92.4 | 170 | -151.4 | 0 | 0 | 106.4 | ||||
| 36 | D | 38 | Very low | 35.8 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | 77.1 | 117.3 | 72.6 | -163.9 | 18.9 | 0 | 0 | 0 | 114.9 | |||||
| 37 | S | 32.9 | Very low | 35.6 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -168.6 | 128.9 | 165.6 | -89.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 38 | T | 36.1 | Very low | 35.2 | Very low | 131 Ų | 131 | 148.2 Ų | 148.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -38.1 | 158.6 | 174.3 | -176.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 39 | M | 35.2 | Very low | 35.3 | Very low | 166 Ų | 166 | 152.6 Ų | 152.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -68.7 | 165.4 | 161.6 | -63.1 | -178.8 | 172 | 0 | 0 | 113 | ||||
| 40 | P | 50.6 | Low | 34.8 | Very low | 130 Ų | 130 | 153.2 Ų | 153.2 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | -142.8 | -172.3 | 115.5 | 39 | -25.3 | 0 | 0 | 0 | 116.1 | |||||
| 41 | I | 40.9 | Very low | 34.7 | Very low | 135 Ų | 135 | 150.4 Ų | 150.4 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | -111 | 140.8 | -163.7 | -61.6 | 156.2 | 0 | 0 | 0 | 113.5 | ||||
| 42 | R | 36.3 | Very low | 35.6 | Very low | 243 Ų | 243 | 152.4 Ų | 152.4 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | trans | -166.7 | 143.1 | 144.1 | -89.1 | 132.8 | -165.4 | -132.6 | 6.4 | 107.9 | ||||
| 43 | R | 33.7 | Very low | 36 | Very low | 210 Ų | 210 | 150.3 Ų | 150.3 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | cis | 87.4 | 108.7 | 30 | -88.9 | -166.3 | 165.2 | 104.3 | -4 | 116.7 | ||||
| 44 | T | 30.3 | Very low | 35.8 | Very low | 129 Ų | 129 | 151.8 Ų | 151.8 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | 65.2 | 157.8 | 152 | 58.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 45 | V | 31.6 | Very low | 35.6 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | cis | -139.5 | -179.3 | 12.3 | -75.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 46 | N | 29.4 | Very low | 35.6 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -78.3 | 161.2 | 163.6 | -72.5 | -0.7 | 0 | 0 | 0 | 112.4 | ||||
| 47 | S | 31.5 | Very low | 35.4 | Very low | 108 Ų | 108 | 151.2 Ų | 151.2 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | 150.5 | 159.7 | 110.4 | -160.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 48 | T | 29.7 | Very low | 35.3 | Very low | 121 Ų | 121 | 149.4 Ų | 149.4 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 79.7 | 93.9 | 149.8 | -47.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 49 | R | 33.7 | Very low | 35 | Very low | 222 Ų | 222 | 152.2 Ų | 152.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | 3 | 136.9 | 128.6 | 176.3 | -172.4 | -175.3 | 176.1 | 2 | 119.2 | |||||
| 50 | E | 28.2 | Very low | 34.7 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -159.3 | 145.4 | 151.6 | -115.3 | -70.9 | 71.6 | 0 | 0 | 112.3 | ||||
| 51 | T | 33.6 | Very low | 33.8 | Very low | 106 Ų | 106 | 150.9 Ų | 150.9 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | trans | -174.3 | 157.1 | 179.8 | 52.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 52 | P | 50.5 | Low | 33.3 | Very low | 114 Ų | 114 | 153.2 Ų | 153.2 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | cis | -126.2 | -167.1 | -47 | 41.9 | -27.1 | 0 | 0 | 0 | 110.1 | ||||
| 53 | P | 42.9 | Very low | 33 | Very low | 132 Ų | 132 | 150.5 Ų | 150.5 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -111.3 | 172.6 | 158 | 36.1 | -27.9 | 0 | 0 | 0 | 113.8 | ||||
| 54 | K | 31.2 | Very low | 33.1 | Very low | 203 Ų | 203 | 147.6 Ų | 147.6 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -152.2 | 138.1 | -161.7 | 174.5 | -177.2 | -178.6 | 177.8 | 0 | 111.5 | ||||
| 55 | S | 34.7 | Very low | 33.7 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -144.4 | 163.2 | 170.4 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 56 | K | 36.7 | Very low | 33.8 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -113.2 | -178.3 | -175.9 | -82.3 | -178.2 | 164.6 | -170.3 | 0 | 109.3 | ||||
| 57 | L | 33 | Very low | 34.8 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | cis | -164.7 | 167.2 | 14.2 | -136.3 | 157.6 | 0 | 0 | 0 | 109.9 | ||||
| 58 | A | 32.2 | Very low | 34.9 | Very low | 79 Ų | 79 | 147.6 Ų | 147.6 | 65% | 0.653 | 78% | 0.784 | S | S | * | * | trans | 70 | 156.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 59 | E | 29.2 | Very low | 34.9 | Very low | 191 Ų | 191 | 150 Ų | 150 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | cis | -159.4 | 159.1 | -3.2 | -144.1 | 158.7 | -154.5 | 0 | 0 | 111.8 | ||||
| 60 | G | 29.8 | Very low | 34.5 | Very low | 71 Ų | 71 | 143.6 Ų | 143.6 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | 71.4 | 153.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 61 | E | 30.1 | Very low | 34.8 | Very low | 197 Ų | 197 | 140.3 Ų | 140.3 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | cis | -155.9 | -175 | -17.4 | -144.9 | 169.1 | -173.8 | 0 | 0 | 109.9 | ||||
| 62 | E | 30.1 | Very low | 34.8 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -85.4 | 160.4 | -165.3 | -52.5 | -174.7 | 117.8 | 0 | 0 | 116 | ||||
| 63 | E | 31.3 | Very low | 33.9 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | -160.7 | 142.4 | 114 | -148.8 | 177.5 | 176.5 | 0 | 0 | 112.1 | |||||
| 64 | K | 34.9 | Very low | 34.1 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | -148.2 | 141.7 | 166.3 | -160.9 | -162.4 | -172.2 | -162.9 | 0 | 108.5 | E66 | K64-E66 WeakPolarHBondContact CE-OE1 3.48Å; K64-E66 WeakPolarHBondContact CE-OE2 3.29Å; K64-E66 IonicContact NZ-OE1 2.93Å; K64-E66 PolarHBondContact NZ-OE1 2.98Å; K64-E66 IonicContact NZ-OE2 2.59Å; K64-E66 PolarHBondContact NZ-OE2 3.27Å | ||
| 65 | P | 43.5 | Very low | 33.9 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | trans | -142.7 | 151 | 132 | 33.8 | -19.2 | 0 | 0 | 0 | 115.6 | ||||
| 66 | E | 33.3 | Very low | 33.7 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 67% | 0.673 | 76% | 0.76 | S | S | * | * | trans | -109.4 | 169.8 | 151 | -66.4 | 145.9 | 167.1 | 0 | 0 | 106.8 | K64 | K64-E66 WeakPolarHBondContact CE-OE1 3.48Å; K64-E66 WeakPolarHBondContact CE-OE2 3.29Å; K64-E66 IonicContact NZ-OE1 2.93Å; K64-E66 PolarHBondContact NZ-OE1 2.98Å; K64-E66 IonicContact NZ-OE2 2.59Å; K64-E66 PolarHBondContact NZ-OE2 3.27Å | ||
| 67 | P | 51.7 | Low | 33.3 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | -152.5 | 177.5 | 95.7 | 39.2 | -20.1 | 0 | 0 | 0 | 117.2 | |||||
| 68 | D | 32.4 | Very low | 33.2 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | -55 | 165.2 | -171.8 | -48.3 | -83.8 | 0 | 0 | 0 | 120.8 | ||||
| 69 | I | 29.7 | Very low | 33.5 | Very low | 170 Ų | 170 | 138 Ų | 138 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | -145.3 | 148.9 | 136.8 | 52.3 | 169 | 0 | 0 | 0 | 113.4 | ||||
| 70 | S | 26.2 | Very low | 33.8 | Very low | 88 Ų | 88 | 137 Ų | 137 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | trans | 2.6 | 137.3 | 156.1 | -163.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 71 | S | 33.7 | Very low | 34 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | cis | 90.6 | 157.5 | 30.9 | 93.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 72 | E | 33 | Very low | 34.1 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | 79.4 | 144.1 | -175.2 | -55.6 | -178.5 | 140.2 | 0 | 0 | 117 | ||||
| 73 | E | 31.9 | Very low | 34 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | cis | -161 | 150.5 | -20.1 | -129.9 | -149.8 | 93.6 | 0 | 0 | 112.4 | ||||
| 74 | S | 48.5 | Very low | 33.9 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | trans | 44.5 | 168.6 | 143.3 | -57.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 75 | V | 26.3 | Very low | 33.6 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | cis | -156.4 | 152.3 | 10.1 | 81.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 76 | S | 30.7 | Very low | 34.3 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | trans | 62.5 | 158.3 | 144 | -127.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 77 | T | 28.6 | Very low | 34.9 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | cis | -158.7 | 150.6 | 4.4 | -21.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 78 | V | 30.4 | Very low | 33.9 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | trans | 53 | 126.2 | 141.4 | 162.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 79 | E | 38 | Very low | 33.6 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | cis | -152.4 | -135.4 | -13 | -148 | 74.6 | -73.5 | 0 | 0 | 107.7 | ||||
| 80 | E | 35.6 | Very low | 33.6 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | cis | -165.6 | 164 | -2.2 | -133.3 | -164.3 | 135.2 | 0 | 0 | 105.6 | ||||
| 81 | Q | 33.9 | Very low | 33.7 | Very low | 141 Ų | 141 | 126.2 Ų | 126.2 | 66% | 0.659 | 72% | 0.722 | S | S | * | * | cis | -143.1 | -103.9 | -9.5 | -165.8 | -143 | -21.7 | 0 | 0 | 110.5 | ||||
| 82 | E | 31.8 | Very low | 33.5 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 71% | 0.71 | 73% | 0.731 | S | S | * | * | trans | -156.7 | 174.8 | -159.1 | -81.4 | -178.2 | 122.8 | 0 | 0 | 111.2 | ||||
| 83 | N | 27.8 | Very low | 33.2 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 65% | 0.647 | 73% | 0.725 | S | S | * | * | cis | -173.7 | 143.9 | -25.6 | 171.4 | 29.5 | 0 | 0 | 0 | 107.6 | ||||
| 84 | E | 30.2 | Very low | 33 | Very low | 179 Ų | 179 | 126.3 Ų | 126.3 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | 178.8 | 149.9 | 129.5 | -99.6 | -159 | 146.8 | 0 | 0 | 113.1 | |||||
| 85 | T | 28.8 | Very low | 32.1 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | trans | -163.4 | 178.1 | -173.3 | 38.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 86 | P | 58.4 | Low | 32.6 | Very low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 72% | 0.724 | S | S | * | * | cis | -119.7 | -103.7 | -30.3 | 24.7 | -0.6 | 0 | 0 | 0 | 109.6 | ||||
| 87 | P | 46.3 | Very low | 32.2 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | cis | -120.5 | 165.4 | 1.4 | 42.7 | -28.7 | 0 | 0 | 0 | 116.6 | ||||
| 88 | A | 29.4 | Very low | 32 | Very low | 84 Ų | 84 | 132 Ų | 132 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | trans | 69.5 | 138.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 89 | T | 26.1 | Very low | 31.8 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 77% | 0.767 | 75% | 0.753 | S | S | * | * | cis | -158.6 | 153 | -0.5 | 2.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 90 | S | 29.3 | Very low | 31.8 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | 8.8 | 149.2 | 142.8 | 58.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 91 | S | 30.1 | Very low | 31.3 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | cis | -178.5 | 134.7 | 3 | 42.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 92 | E | 27.5 | Very low | 30.8 | Very low | 191 Ų | 191 | 132 Ų | 132 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | 88.6 | 163.6 | 101.1 | -163.6 | 166.7 | 108.3 | 0 | 0 | 115.1 | |||||
| 93 | A | 28.1 | Very low | 30.5 | Very low | 84 Ų | 84 | 132.2 Ų | 132.2 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | trans | 69.4 | 97.7 | 170 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 94 | E | 27.4 | Very low | 30.4 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | 46.3 | 123 | 125.6 | -64.6 | -148.6 | 84.7 | 0 | 0 | 124.1 | |||||
| 95 | Q | 28.5 | Very low | 30.2 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | 40.3 | 156 | 114.3 | -66.8 | -162.6 | 82.6 | 0 | 0 | 122.5 | |||||
| 96 | P | 38.2 | Very low | 30.1 | Very low | 98 Ų | 98 | 135 Ų | 135 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | cis | -144.4 | 179.6 | -33 | 40.7 | -23.2 | 0 | 0 | 0 | 114.8 | ||||
| 97 | K | 22.5 | Very low | 28.5 | Very low | 208 Ų | 208 | 137.3 Ų | 137.3 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | trans | 59.8 | 107 | 139.6 | -172.2 | -175.2 | -173.6 | -177.1 | 0 | 119.5 | ||||
| 98 | G | 24.1 | Very low | 27.6 | Very low | 82 Ų | 82 | 138.7 Ų | 138.7 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | -173.7 | 90.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 99 | E | 24.9 | Very low | 27.6 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | trans | -89.4 | 171.2 | 160.4 | -113.5 | 178.4 | 162 | 0 | 0 | 109.3 | ||||
| 100 | P | 39.5 | Very low | 27.8 | Very low | 91 Ų | 91 | 143.3 Ų | 143.3 | 59% | 0.591 | 76% | 0.758 | S | S | * | * | cis | -140.3 | -159.3 | -6.9 | 40.2 | -19.1 | 0 | 0 | 0 | 114 | ||||
| 101 | E | 25.3 | Very low | 27.8 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | trans | 67.3 | 160.6 | 153 | -73 | 168.2 | -154.4 | 0 | 0 | 119.3 | ||||
| 102 | N | 23.4 | Very low | 27.7 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 65% | 0.652 | 76% | 0.763 | S | S | * | * | cis | -165.9 | 169.8 | -35.4 | -171 | 26.9 | 0 | 0 | 0 | 108.6 | ||||
| 103 | E | 25.6 | Very low | 27.8 | Very low | 158 Ų | 158 | 144.5 Ų | 144.5 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | 63.9 | 163.6 | 166.2 | -69.5 | 157 | -147.9 | 0 | 0 | 116.8 | ||||
| 104 | E | 25.1 | Very low | 27.7 | Very low | 139 Ų | 139 | 146 Ų | 146 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | cis | -139.3 | 134.5 | -32.1 | -109 | -158.1 | 149.8 | 0 | 0 | 106.1 | ||||
| 105 | K | 24.7 | Very low | 28 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 66% | 0.661 | 75% | 0.751 | S | S | * | * | 59 | 110.9 | 95.5 | 156.4 | -129.1 | -179.8 | -176.1 | 0 | 116.8 | |||||
| 106 | E | 26.5 | Very low | 28 | Very low | 185 Ų | 185 | 146.8 Ų | 146.8 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | -169.2 | 130.2 | 137.7 | -101 | 176.9 | 173.3 | 0 | 0 | 105.8 | ||||
| 107 | E | 26.2 | Very low | 27.6 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 77% | 0.771 | 75% | 0.754 | S | S | * | * | 67 | 83.8 | 53.1 | -69.1 | -135.9 | 147.8 | 0 | 0 | 115.4 | |||||
| 108 | N | 26.2 | Very low | 28 | Very low | 139 Ų | 139 | 147.9 Ų | 147.9 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | 173.1 | 164.9 | 116.7 | -92.3 | -72.4 | 0 | 0 | 0 | 109.8 | |||||
| 109 | K | 30.2 | Very low | 28.3 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | cis | 165 | 118 | -33.9 | 169.5 | -176.5 | 178 | -178.3 | 0 | 107.6 | ||||
| 110 | S | 29.2 | Very low | 28.6 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | trans | -154 | 142.8 | 161.2 | 47.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 111 | S | 30.7 | Very low | 28.1 | Very low | 97 Ų | 97 | 152.8 Ų | 152.8 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | -91.1 | -178.9 | 167.9 | 56.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 112 | E | 27 | Very low | 28.3 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | cis | -153.7 | -172.4 | 18.8 | -152.6 | 141.9 | 115.4 | 0 | 0 | 113 | ||||
| 113 | E | 29.5 | Very low | 28.8 | Very low | 144 Ų | 144 | 153.2 Ų | 153.2 | 67% | 0.673 | 76% | 0.757 | S | S | * | * | trans | -62.5 | 155.9 | -174.5 | -62.4 | -169.2 | 71.2 | 0 | 0 | 113.9 | K115 | E113-K115 IonicContact OE1-NZ 3.9Š| ||
| 114 | T | 27.8 | Very low | 29.2 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | -169.7 | 127.9 | 76.7 | -63.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 115 | K | 33.3 | Very low | 29.6 | Very low | 166 Ų | 166 | 156.5 Ų | 156.5 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 26.3 | 135.8 | 148 | -56.8 | 163.8 | -176.3 | 107.8 | 0 | 117.8 | E113 | E113-K115 IonicContact OE1-NZ 3.9Š| ||
| 116 | K | 28.8 | Very low | 30.5 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | -174.1 | 152.7 | 59.5 | -171 | 170.6 | 179.2 | -75.4 | 0 | 112.9 | |||||
| 117 | D | 28.9 | Very low | 31 | Very low | 128 Ų | 128 | 157.9 Ų | 157.9 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | trans | 38.3 | 106.4 | 163 | -57.9 | -17.9 | 0 | 0 | 0 | 121.1 | ||||
| 118 | E | 31.6 | Very low | 32 | Very low | 200 Ų | 200 | 159.2 Ų | 159.2 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | -151.9 | 176 | 104.2 | -135.2 | -170 | 113.5 | 0 | 0 | 111.5 | |||||
| 119 | K | 29.3 | Very low | 32.9 | Very low | 156 Ų | 156 | 157.3 Ų | 157.3 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -144 | 121.5 | -163.2 | 131.1 | -95.5 | 154.5 | -95 | 0 | 113.8 | ||||
| 120 | D | 30.8 | Very low | 34.2 | Very low | 134 Ų | 134 | 156.2 Ų | 156.2 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -160.9 | -176.8 | 142.3 | -130.3 | -65.5 | 0 | 0 | 0 | 114.7 | ||||
| 121 | Q | 30.3 | Very low | 36.2 | Very low | 180 Ų | 180 | 155.9 Ų | 155.9 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | trans | 71.8 | 49.4 | 177.6 | -56.3 | -160.1 | 39.6 | 0 | 0 | 117.7 | K123 | Q121-K123 PolarHBondContact O-N 2.89Å; Q121-K123 VanDerWaalsContact O-N 3.17Å | ||
| 122 | S | 29.7 | Very low | 38.7 | Very low | 110 Ų | 110 | 155.1 Ų | 155.1 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -63 | 112.6 | 150.4 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | E124 | S122-E124 PolarHBondContact O-N 3.16Š| ||
| 123 | K | 33.2 | Very low | 41.5 | Very low | 200 Ų | 200 | 148.8 Ų | 148.8 | 87% | 0.87 | 71% | 0.713 | S | S | * | * | trans | -55.2 | 99.2 | 172.6 | -92.6 | 176.2 | 174.6 | 165.2 | 0 | 110.8 | Q121 K125 | Q121-K123 PolarHBondContact O-N 2.89Å; Q121-K123 VanDerWaalsContact O-N 3.17Å; K123-K125 PolarHBondContact O-N 3.34Å | ||
| 124 | E | 34 | Very low | 44.3 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 83% | 0.827 | 68% | 0.682 | S | S | * | * | trans | -69.2 | 94.9 | 172.4 | -174 | 166 | -161.1 | 0 | 0 | 109.1 | S122 E126 | S122-E124 PolarHBondContact O-N 3.16Å; E124-E126 PolarHBondContact O-N 3.32Å | ||
| 125 | K | 34.6 | Very low | 47 | Very low | 188 Ų | 188 | 142.1 Ų | 142.1 | 82% | 0.817 | 69% | 0.687 | S | S | * | * | trans | -64.3 | 98.1 | 169.7 | -74 | -178.8 | 177.8 | 175.3 | 0 | 108.3 | K123 K127 | K123-K125 PolarHBondContact O-N 3.34Å; K125-K127 PolarHBondContact O-N 2.87Å | ||
| 126 | E | 42 | Very low | 49.6 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 79% | 0.794 | 66% | 0.658 | S | S | * | * | trans | -43.7 | 111.8 | 172.6 | -70.8 | -165.7 | 130.8 | 0 | 0 | 110.2 | E124 K128 | E124-E126 PolarHBondContact O-N 3.32Å; E126-K128 PolarHBondContact O-N 2.82Å | ||
| 127 | K | 36.9 | Very low | 52.6 | Low | 197 Ų | 197 | 128 Ų | 128 | 86% | 0.857 | 63% | 0.627 | S | S | * | * | trans | -72.1 | 86.3 | 176.8 | -74.9 | 174.1 | -179.1 | 163.6 | 0 | 107.8 | K125 V129 | K125-K127 PolarHBondContact O-N 2.87Å; K127-V129 PolarHBondContact O-N 3.01Å | ||
| 128 | K | 47.2 | Very low | 55.4 | Low | 193 Ų | 193 | 124.1 Ų | 124.1 | 84% | 0.839 | 61% | 0.608 | S | S | * | * | trans | -40.3 | 97.4 | 178.3 | -69.6 | -172.6 | 177.6 | -176.4 | 0 | 110.1 | E126 K130 | E126-K128 PolarHBondContact O-N 2.82Å; K128-K130 PolarHBondContact O-N 2.85Å | ||
| 129 | V | 46.8 | Very low | 57.8 | Low | 99 Ų | 99 | 115.9 Ų | 115.9 | 60% | 0.6 | 57% | 0.57 | S | S | * | * | trans | -61 | 130.5 | -178.9 | 179.7 | 0 | 0 | 0 | 0 | 106.2 | K127 K131 | K127-V129 PolarHBondContact O-N 3.01Å; V129-K131 PolarHBondContact O-N 3.21Å | ||
| 130 | K | 57.6 | Low | 60 | Low | 162 Ų | 162 | 110.9 Ų | 110.9 | 70% | 0.704 | 56% | 0.555 | S | S | * | * | trans | -69.2 | 86.3 | -176.6 | -65.7 | -175.7 | -179.5 | -177.8 | 0 | 108.3 | K128 T132 | K128-K130 PolarHBondContact O-N 2.85Å; K130-T132 PolarHBondContact O-N 3.24Å; K130-T132 PolarHBondContact O-OG1 2.95Å | ||
| 131 | K | 69.2 | Low | 61.9 | Low | 114 Ų | 114 | 108.4 Ų | 108.4 | 50% | 0.496 | 55% | 0.554 | S | S | . | * | trans | -48.7 | 104.8 | -175.7 | -63.9 | -162.2 | 176.7 | -168.9 | 0 | 107.8 | V129 F413 | V129-K131 PolarHBondContact O-N 3.21Å; K131-F413 HydrophobicContact CB-CZ 4.37Å | ||
| 132 | T | 83.3 | Confident | 63.7 | Low | 81 Ų | 81 | 103.3 Ų | 103.3 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 130.6 | -176.1 | -67.4 | 0 | 0 | 0 | 0 | 106.6 | K130 P134 N394 W396 | K130-T132 PolarHBondContact O-N 3.24Å; K130-T132 PolarHBondContact O-OG1 2.95Å; T132-P134 WeakPolarHBondContact O-CD 3.49Å; T132-N394 PolarHBondContact N-O 3.42Å; T132-W396 PolarHBondContact O-NE1 2.85Å |
| 133 | I | 85.9 | Confident | 65.9 | Low | 39 Ų | 39 | 102.4 Ų | 102.4 | 20% | 0.2 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 124.9 | -179.1 | -43.6 | 173.1 | 0 | 0 | 0 | 108.6 | A137 L139 L144 A147 F413 | I133-A137 HydrophobicContact CG2-CB 3.93Å; I133-L139 HydrophobicContact CG2-CD1 3.89Å; I133-L144 HydrophobicContact CD1-CD2 4.23Å; I133-L144 HydrophobicContact CG2-CD2 4.31Å; I133-A147 HydrophobicContact CD1-CB 3.52Å; I133-A147 HydrophobicContact CG1-CB 4.18Å; I133-F413 HydrophobicContact CG2-CD1 4.44Å; I133-F413 HydrophobicContact CG2-CE1 4.18Å |
| 134 | P | 88.9 | Confident | 67.9 | Low | 5 Ų | 5 | 95.5 Ų | 95.5 | 3% | 0.032 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 149.8 | 173.2 | 23.8 | -23.6 | 0 | 0 | 0 | 110.8 | T132 W136 A137 W396 F413 | T132-P134 WeakPolarHBondContact O-CD 3.49Å; P134-W136 HydrophobicContact CB-CD2 3.95Å; P134-W136 HydrophobicContact CB-CG 4.17Å; P134-W136 HydrophobicContact CB-CZ2 3.99Å; P134-W136 HydrophobicContact CG-CD2 3.96Å; P134-W136 HydrophobicContact CG-CE3 4.29Å; P134-W136 HydrophobicContact CG-CH2 3.98Å; P134-W136 HydrophobicContact CG-CZ2 3.63Å; P134-W136 HydrophobicContact CG-CZ3 4.3Å; P134-W136 PolarHBondContact O-N 2.9Å; P134-W136 VanDerWaalsContact O-N 3.15Å; P134-A137 HydrophobicContact CG-CB 4.04Å; P134-A137 WeakPolarHBondContact O-CB 3.31Å; P134-A137 PolarHBondContact O-N 3Å; P134-A137 VanDerWaalsContact O-N 3.1Å; P134-W396 HydrophobicContact CB-CD2 3.78Å; P134-W396 HydrophobicContact CB-CE3 4.31Å; P134-W396 HydrophobicContact CB-CG 3.98Å; P134-W396 HydrophobicContact CB-CZ2 4.17Å; P134-W396 HydrophobicContact CG-CB 4.38Å; P134-W396 HydrophobicContact CG-CD2 4.28Å; P134-W396 HydrophobicContact CG-CG 3.92Å; P134-F413 VanDerWaalsContact CD-CD2 3.48Å; P134-F413 HydrophobicContact CG-CB 4.38Å; P134-F413 HydrophobicContact CG-CD2 3.79Å; P134-F413 HydrophobicContact CG-CE2 4.28Å; P134-F413 HydrophobicContact CG-CG 4.12Å |
| 135 | S | 85.5 | Confident | 69.6 | Low | 114 Ų | 114 | 89 Ų | 89 | 80% | 0.797 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.9 | -178.7 | 35.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 136 | W | 87.6 | Confident | 71.5 | Confident | 28 Ų | 28 | 88.6 Ų | 88.6 | 11% | 0.106 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -13.4 | 177 | 52.4 | -108.9 | 0 | 0 | 0 | 114.1 | P134 T138 P264 W396 L411 F413 Y415 | P134-W136 HydrophobicContact CB-CD2 3.95Å; P134-W136 HydrophobicContact CB-CG 4.17Å; P134-W136 HydrophobicContact CB-CZ2 3.99Å; P134-W136 HydrophobicContact CG-CD2 3.96Å; P134-W136 HydrophobicContact CG-CE3 4.29Å; P134-W136 HydrophobicContact CG-CH2 3.98Å; P134-W136 HydrophobicContact CG-CZ2 3.63Å; P134-W136 HydrophobicContact CG-CZ3 4.3Å; P134-W136 PolarHBondContact O-N 2.9Å; P134-W136 VanDerWaalsContact O-N 3.15Å; W136-T138 PolarHBondContact O-N 3.41Å; W136-P264 HydrophobicContact CB-CG 4.3Å; W136-P264 HydrophobicContact CD2-CB 4Å; W136-P264 HydrophobicContact CD2-CG 3.28Å; W136-P264 HydrophobicContact CE3-CB 3.96Å; W136-P264 HydrophobicContact CE3-CG 3.75Å; W136-P264 HydrophobicContact CG-CB 4.39Å; W136-P264 HydrophobicContact CG-CG 3.54Å; W136-P264 HydrophobicContact CH2-CG 4.24Å; W136-P264 HydrophobicContact CZ2-CG 3.81Å; W136-P264 HydrophobicContact CZ3-CB 4.32Å; W136-P264 HydrophobicContact CZ3-CG 4.21Å; W136-W396 HydrophobicContact CZ2-CB 4.29Å; W136-L411 HydrophobicContact CH2-CB 4.41Å; W136-L411 HydrophobicContact CH2-CD1 4.36Å; W136-L411 HydrophobicContact CH2-CD2 4.22Å; W136-L411 HydrophobicContact CZ3-CD1 4.35Å; W136-F413 HydrophobicContact CH2-CB 4.15Å; W136-F413 HydrophobicContact CZ3-CB 3.97Å; W136-Y415 HydrophobicContact CB-CD2 4.35Å; W136-Y415 HydrophobicContact CB-CE2 4.22Å; W136-Y415 HydrophobicContact CE3-CD2 4.09Å; W136-Y415 HydrophobicContact CE3-CG 4.28Å; W136-Y415 VanDerWaalsContact O-CD2 3.31Å; W136-Y415 WeakPolarHBondContact O-CD2 3.24Å |
| 137 | A | 90.4 | Very high | 72.6 | Confident | 14 Ų | 14 | 81.7 Ų | 81.7 | 12% | 0.116 | 44% | 0.435 | C | S | . | . | trans | -63.5 | 120.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I133 P134 L139 F413 P414 | I133-A137 HydrophobicContact CG2-CB 3.93Å; P134-A137 HydrophobicContact CG-CB 4.04Å; P134-A137 WeakPolarHBondContact O-CB 3.31Å; P134-A137 PolarHBondContact O-N 3Å; P134-A137 VanDerWaalsContact O-N 3.1Å; A137-L139 HydrophobicContact CB-CG 4.3Å; A137-L139 PolarHBondContact O-N 3.32Å; A137-F413 HydrophobicContact CB-CB 3.81Å; A137-F413 HydrophobicContact CB-CD1 4.15Å; A137-F413 HydrophobicContact CB-CG 4.15Å; A137-P414 CarbonylContact C-O 3.32Å; A137-P414 WeakPolarHBondContact CA-O 3.21Å | ||
| 138 | T | 88.8 | Confident | 73.9 | Confident | 46 Ų | 46 | 77 Ų | 77 | 28% | 0.282 | 42% | 0.417 | S | S | . | . | trans | -85.6 | 52.2 | -179.8 | -36.9 | 0 | 0 | 0 | 0 | 111.6 | W136 P414 Y415 Y416 | W136-T138 PolarHBondContact O-N 3.41Å; T138-P414 PolarHBondContact N-O 3.5Å; T138-Y415 WeakPolarHBondContact OG1-CA 3.37Å; T138-Y416 HydrophobicContact CG2-CD2 3.83Å; T138-Y416 HydrophobicContact CG2-CG 4.33Å; T138-Y416 PolarHBondContact OG1-N 3.49Å | ||
| 139 | L | 81.2 | Confident | 74.5 | Confident | 26 Ų | 26 | 76.7 Ų | 76.7 | 14% | 0.136 | 42% | 0.415 | C | S | . | . | trans | -74.4 | 143.5 | 173.9 | -70.3 | 177.4 | 0 | 0 | 0 | 110.9 | I133 A137 Q143 L144 F413 P414 | I133-L139 HydrophobicContact CG2-CD1 3.89Å; A137-L139 HydrophobicContact CB-CG 4.3Å; A137-L139 PolarHBondContact O-N 3.32Å; L139-Q143 HydrophobicContact CB-CB 4.13Å; L139-Q143 HydrophobicContact CD2-CB 4.24Å; L139-L144 HydrophobicContact CB-CD2 3.84Å; L139-L144 HydrophobicContact CB-CG 3.78Å; L139-L144 HydrophobicContact CD1-CD2 4.1Å; L139-L144 WeakPolarHBondContact O-CD1 3.44Å; L139-F413 HydrophobicContact CD1-CD1 4Å; L139-F413 HydrophobicContact CD1-CE1 4.2Å; L139-F413 HydrophobicContact CG-CD1 4.44Å; L139-P414 HydrophobicContact CD2-CG 4.22Å | ||
| 140 | S | 76.6 | Confident | 75 | Confident | 51 Ų | 51 | 80 Ų | 80 | 36% | 0.357 | 42% | 0.424 | S | S | . | . | trans | -63.7 | 155.6 | 172.6 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | S142 Q143 L144 | S140-S142 PolarHBondContact O-N 3.4Å; S140-S142 VanDerWaalsContact O-N 3.11Å; S140-S142 PolarHBondContact OG-OG 2.86Å; S140-Q143 PolarHBondContact O-N 2.94Å; S140-Q143 VanDerWaalsContact OG-CD 3.26Å; S140-Q143 WeakPolarHBondContact OG-CG 3.5Å; S140-Q143 PolarHBondContact OG-N 3.17Å; S140-Q143 PolarHBondContact OG-OE1 3.42Å; S140-L144 PolarHBondContact O-N 2.97Å | ||
| 141 | A | 69.3 | Low | 74.7 | Confident | 83 Ų | 83 | 74.7 Ų | 74.7 | 69% | 0.686 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -55.4 | -32.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | A145 | A141-A145 VanDerWaalsContact O-CB 3.25Å; A141-A145 WeakPolarHBondContact O-CB 3.36Å; A141-A145 PolarHBondContact O-N 3.46Å |
| 142 | S | 69.3 | Low | 73.8 | Confident | 73 Ų | 73 | 74.7 Ų | 74.7 | 51% | 0.51 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -73.8 | -37.4 | 176.1 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | S140 R146 | S140-S142 PolarHBondContact O-N 3.4Å; S140-S142 VanDerWaalsContact O-N 3.11Å; S140-S142 PolarHBondContact OG-OG 2.86Å; S142-R146 WeakPolarHBondContact O-CB 3.35Å; S142-R146 VanDerWaalsContact O-CG 3.27Å; S142-R146 WeakPolarHBondContact O-CG 3.46Å; S142-R146 PolarHBondContact O-N 3.1Å |
| 143 | Q | 75.6 | Confident | 71.7 | Confident | 90 Ų | 90 | 78.7 Ų | 78.7 | 42% | 0.421 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 172.1 | -72.6 | 163.5 | -45.3 | 0 | 0 | 111.2 | L139 S140 A145 R146 A147 | L139-Q143 HydrophobicContact CB-CB 4.13Å; L139-Q143 HydrophobicContact CD2-CB 4.24Å; S140-Q143 PolarHBondContact O-N 2.94Å; S140-Q143 VanDerWaalsContact OG-CD 3.26Å; S140-Q143 WeakPolarHBondContact OG-CG 3.5Å; S140-Q143 PolarHBondContact OG-N 3.17Å; S140-Q143 PolarHBondContact OG-OE1 3.42Å; Q143-A145 PolarHBondContact O-N 2.9Å; Q143-R146 PolarHBondContact O-N 3.26Å; Q143-A147 WeakPolarHBondContact O-CB 3.21Å; Q143-A147 PolarHBondContact O-N 3.12Å |
| 144 | L | 75.1 | Confident | 69.7 | Low | 55 Ų | 55 | 79.1 Ų | 79.1 | 29% | 0.288 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57 | -47.8 | 172.9 | -72.5 | 172.2 | 0 | 0 | 0 | 110.9 | I133 L139 S140 R146 A147 Q148 | I133-L144 HydrophobicContact CD1-CD2 4.23Å; I133-L144 HydrophobicContact CG2-CD2 4.31Å; L139-L144 HydrophobicContact CB-CD2 3.84Å; L139-L144 HydrophobicContact CB-CG 3.78Å; L139-L144 HydrophobicContact CD1-CD2 4.1Å; L139-L144 WeakPolarHBondContact O-CD1 3.44Å; S140-L144 PolarHBondContact O-N 2.97Å; L144-R146 PolarHBondContact O-N 3.37Å; L144-A147 PolarHBondContact O-N 3.16Å; L144-Q148 WeakPolarHBondContact O-CB 3.47Å; L144-Q148 WeakPolarHBondContact O-CG 3.43Å; L144-Q148 PolarHBondContact O-N 3.42Å |
| 145 | A | 69.6 | Low | 67.4 | Low | 40 Ų | 40 | 82.4 Ų | 82.4 | 33% | 0.331 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | A141 Q143 K149 | A141-A145 VanDerWaalsContact O-CB 3.25Å; A141-A145 WeakPolarHBondContact O-CB 3.36Å; A141-A145 PolarHBondContact O-N 3.46Å; Q143-A145 PolarHBondContact O-N 2.9Å; A145-K149 WeakPolarHBondContact O-CB 3.45Å; A145-K149 WeakPolarHBondContact O-CG 3.31Å; A145-K149 PolarHBondContact O-N 3.5Å |
| 146 | R | 74.4 | Confident | 65.6 | Low | 181 Ų | 181 | 79.4 Ų | 79.4 | 68% | 0.683 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.3 | -49.2 | 175.5 | -76.8 | 172.9 | 179.6 | -176 | 0.5 | 111.6 | S142 Q143 L144 K149 Q150 | S142-R146 WeakPolarHBondContact O-CB 3.35Å; S142-R146 VanDerWaalsContact O-CG 3.27Å; S142-R146 WeakPolarHBondContact O-CG 3.46Å; S142-R146 PolarHBondContact O-N 3.1Å; Q143-R146 PolarHBondContact O-N 3.26Å; L144-R146 PolarHBondContact O-N 3.37Å; R146-K149 PolarHBondContact O-N 2.93Å; R146-Q150 PolarHBondContact O-N 2.96Å |
| 147 | A | 65.1 | Low | 63.7 | Low | 25 Ų | 25 | 84.6 Ų | 84.6 | 21% | 0.207 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | I133 Q143 L144 K149 Q150 T151 | I133-A147 HydrophobicContact CD1-CB 3.52Å; I133-A147 HydrophobicContact CG1-CB 4.18Å; Q143-A147 WeakPolarHBondContact O-CB 3.21Å; Q143-A147 PolarHBondContact O-N 3.12Å; L144-A147 PolarHBondContact O-N 3.16Å; A147-K149 PolarHBondContact O-N 2.94Å; A147-Q150 PolarHBondContact O-N 3.18Å; A147-Q150 VanDerWaalsContact O-N 3.11Å; A147-T151 PolarHBondContact O-N 3.36Å |
| 148 | Q | 64.9 | Low | 61.8 | Low | 99 Ų | 99 | 93.1 Ų | 93.1 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.7 | -45.8 | 171.8 | -78.4 | 177 | 6 | 0 | 0 | 111.8 | L144 Q150 T151 A154 | L144-Q148 WeakPolarHBondContact O-CB 3.47Å; L144-Q148 WeakPolarHBondContact O-CG 3.43Å; L144-Q148 PolarHBondContact O-N 3.42Å; Q148-Q150 PolarHBondContact O-N 2.9Å; Q148-T151 PolarHBondContact O-N 3.21Å; Q148-T151 VanDerWaalsContact O-O 3.08Å; Q148-T151 PolarHBondContact O-OG1 3.15Å; Q148-A154 HydrophobicContact CB-CB 3.81Å; Q148-A154 HydrophobicContact CG-CB 4.48Å; Q148-A154 WeakPolarHBondContact O-CB 3.29Å |
| 149 | K | 59.4 | Low | 60.4 | Low | 186 Ų | 186 | 94.3 Ų | 94.3 | 81% | 0.809 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.5 | -25.9 | 175.2 | -77.6 | 174 | 179.2 | -172.6 | 0 | 113.6 | A145 R146 A147 | A145-K149 WeakPolarHBondContact O-CB 3.45Å; A145-K149 WeakPolarHBondContact O-CG 3.31Å; A145-K149 PolarHBondContact O-N 3.5Å; R146-K149 PolarHBondContact O-N 2.93Å; A147-K149 PolarHBondContact O-N 2.94Å |
| 150 | Q | 58.2 | Low | 60.1 | Low | 167 Ų | 167 | 99.5 Ų | 99.5 | 78% | 0.78 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -84.7 | -12 | 174.4 | -68.2 | 176.8 | -5.2 | 0 | 0 | 113.3 | R146 A147 Q148 | R146-Q150 PolarHBondContact O-N 2.96Å; A147-Q150 PolarHBondContact O-N 3.18Å; A147-Q150 VanDerWaalsContact O-N 3.11Å; Q148-Q150 PolarHBondContact O-N 2.9Å |
| 151 | T | 50.8 | Low | 60.5 | Low | 52 Ų | 52 | 98.5 Ų | 98.5 | 32% | 0.319 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -93.3 | 130.5 | 172.4 | 66.2 | 0 | 0 | 0 | 0 | 111.7 | A147 Q148 M153 A154 | A147-T151 PolarHBondContact O-N 3.36Å; Q148-T151 PolarHBondContact O-N 3.21Å; Q148-T151 VanDerWaalsContact O-O 3.08Å; Q148-T151 PolarHBondContact O-OG1 3.15Å; T151-M153 PolarHBondContact O-N 2.84Å; T151-A154 PolarHBondContact O-N 3.03Å |
| 152 | P | 49 | Very low | 61.3 | Low | 114 Ų | 114 | 95.5 Ų | 95.5 | 74% | 0.74 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 23.3 | -179.1 | 33 | -37.7 | 0 | 0 | 0 | 113.9 | ||
| 153 | M | 41 | Very low | 62.2 | Low | 164 Ų | 164 | 94.5 Ų | 94.5 | 81% | 0.808 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | -7.5 | -173.6 | -73.7 | -83.1 | -100.6 | 0 | 0 | 113.2 | T151 S155 | T151-M153 PolarHBondContact O-N 2.84Å; M153-S155 PolarHBondContact O-N 2.88Å |
| 154 | A | 42.1 | Very low | 62.8 | Low | 49 Ų | 49 | 90.3 Ų | 90.3 | 41% | 0.405 | 48% | 0.479 | S | S | . | . | trans | -76.8 | 59.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q148 T151 S156 | Q148-A154 HydrophobicContact CB-CB 3.81Å; Q148-A154 HydrophobicContact CG-CB 4.48Å; Q148-A154 WeakPolarHBondContact O-CB 3.29Å; T151-A154 PolarHBondContact O-N 3.03Å; A154-S156 PolarHBondContact O-N 2.79Å | ||
| 155 | S | 41.7 | Very low | 63.5 | Low | 74 Ų | 74 | 87.7 Ų | 87.7 | 52% | 0.517 | 47% | 0.466 | S | S | . | . | trans | -65 | 122.3 | 163 | 172.8 | 0 | 0 | 0 | 0 | 109.6 | M153 | M153-S155 PolarHBondContact O-N 2.88Š| ||
| 156 | S | 47 | Very low | 64.5 | Low | 51 Ų | 51 | 87.2 Ų | 87.2 | 36% | 0.357 | 46% | 0.458 | S | S | . | . | trans | -44.6 | 159.9 | 165.1 | 63 | 0 | 0 | 0 | 0 | 112.9 | A154 R158 | A154-S156 PolarHBondContact O-N 2.79Å; S156-R158 PolarHBondContact O-N 3.29Å | ||
| 157 | P | 48.2 | Very low | 65.3 | Low | 137 Ų | 137 | 81.9 Ų | 81.9 | 89% | 0.89 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -70.3 | 30.3 | -175.4 | 31.6 | -38.5 | 0 | 0 | 0 | 115.8 | ||
| 158 | R | 50.3 | Low | 66.6 | Low | 193 Ų | 193 | 80.7 Ų | 80.7 | 73% | 0.728 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -59.9 | 126.1 | 160.5 | -72.8 | -169.3 | -81.1 | -112.2 | 5 | 108.3 | S156 K160 | S156-R158 PolarHBondContact O-N 3.29Å; R158-K160 PolarHBondContact O-N 2.86Å; R158-K160 VanDerWaalsContact O-N 3.11Å |
| 159 | P | 59.5 | Low | 67.9 | Low | 71 Ų | 71 | 76 Ų | 76 | 46% | 0.461 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 119.8 | -179.7 | 23.2 | -32 | 0 | 0 | 0 | 109.5 | A163 I164 | P159-A163 HydrophobicContact CB-CB 4.45Å; P159-I164 HydrophobicContact CB-CG1 4.05Å; P159-I164 HydrophobicContact CG-CD1 4.19Å; P159-I164 HydrophobicContact CG-CG1 4.08Å; P159-I164 WeakPolarHBondContact O-CD1 3.25Å |
| 160 | K | 75.5 | Confident | 69.4 | Low | 134 Ų | 134 | 74 Ų | 74 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 147.7 | 178.9 | -65.5 | 177.2 | -179 | 175.1 | 0 | 108.9 | R158 D162 A163 I164 | R158-K160 PolarHBondContact O-N 2.86Å; R158-K160 VanDerWaalsContact O-N 3.11Å; K160-D162 PolarHBondContact O-N 2.8Å; K160-A163 WeakPolarHBondContact O-CB 3.29Å; K160-A163 PolarHBondContact O-N 3.43Å; K160-I164 PolarHBondContact O-N 2.9Å |
| 161 | M | 85.3 | Confident | 70.9 | Confident | 30 Ų | 30 | 68.8 Ų | 68.8 | 15% | 0.148 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -49.3 | -31.7 | -174.3 | -174.5 | 60.2 | -176.6 | 0 | 0 | 114.2 | A163 I164 L165 I187 L194 L196 L203 A206 | M161-A163 VanDerWaalsContact C-N 3.33Å; M161-A163 PolarHBondContact O-N 2.81Å; M161-I164 PolarHBondContact O-N 3.39Å; M161-L165 WeakPolarHBondContact O-CB 3.46Å; M161-L165 PolarHBondContact O-N 3Å; M161-I187 HydrophobicContact CE-CD1 4.21Å; M161-L194 HydrophobicContact CE-CD2 4.45Å; M161-L194 HydrophobicContact SD-CD2 3.52Å; M161-L194 VanDerWaalsContact SD-CD2 3.52Å; M161-L196 HydrophobicContact CE-CD1 4.05Å; M161-L196 HydrophobicContact CE-CD2 4.26Å; M161-L203 HydrophobicContact CE-CB 3.97Å; M161-L203 HydrophobicContact CE-CD1 3.77Å; M161-L203 HydrophobicContact CE-CG 4.48Å; M161-A206 HydrophobicContact CB-CB 4.39Å; M161-A206 HydrophobicContact CE-CB 4.45Å; M161-A206 HydrophobicContact CG-CB 3.52Å |
| 162 | D | 85.7 | Confident | 72.7 | Confident | 21 Ų | 21 | 67.5 Ų | 67.5 | 11% | 0.112 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 176.7 | -51.2 | -25.3 | 0 | 0 | 0 | 112.8 | K160 T166 R209 R213 | K160-D162 PolarHBondContact O-N 2.8Å; D162-T166 WeakPolarHBondContact O-CB 3.34Å; D162-T166 PolarHBondContact O-N 3.04Å; D162-T166 PolarHBondContact O-OG1 2.8Å; D162-R209 VanDerWaalsContact CG-NH2 3.34Å; D162-R209 IonicContact OD1-CZ 3.5Å; D162-R209 VanDerWaalsContact OD1-CZ 3.22Å; D162-R209 IonicContact OD1-NE 3.23Å; D162-R209 PolarHBondContact OD1-NE 2.73Å; D162-R209 IonicContact OD1-NH2 3.28Å; D162-R209 PolarHBondContact OD1-NH2 3.18Å; D162-R209 IonicContact OD2-CZ 2.69Å; D162-R209 IonicContact OD2-NE 3.99Å; D162-R209 PolarHBondContact OD2-NE 3.28Å; D162-R209 IonicContact OD2-NH2 2.93Å; D162-R209 PolarHBondContact OD2-NH2 3.17Å; D162-R213 VanDerWaalsContact CG-NH1 3.31Å; D162-R213 IonicContact OD1-NH1 3.73Å; D162-R213 IonicContact OD2-CZ 2.66Å; D162-R213 IonicContact OD2-NH1 3.65Å; D162-R213 PolarHBondContact OD2-NH1 3.32Å; D162-R213 IonicContact OD2-NH2 2.66Å |
| 163 | A | 88 | Confident | 74.6 | Confident | 51 Ų | 51 | 67.8 Ų | 67.8 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -73.2 | -48.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P159 K160 M161 L165 T166 E167 | P159-A163 HydrophobicContact CB-CB 4.45Å; K160-A163 WeakPolarHBondContact O-CB 3.29Å; K160-A163 PolarHBondContact O-N 3.43Å; M161-A163 VanDerWaalsContact C-N 3.33Å; M161-A163 PolarHBondContact O-N 2.81Å; A163-L165 PolarHBondContact O-N 3.45Å; A163-T166 WeakPolarHBondContact O-CB 3.42Å; A163-T166 PolarHBondContact O-N 3.1Å; A163-T166 VanDerWaalsContact O-N 3.09Å; A163-E167 WeakPolarHBondContact O-CB 3.32Å; A163-E167 PolarHBondContact O-N 2.76Å |
| 164 | I | 88.6 | Confident | 76.8 | Confident | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55.7 | -42.7 | 174.2 | -60.7 | 177.3 | 0 | 0 | 0 | 110.4 | P159 K160 M161 E167 A168 I187 Y191 L194 | P159-I164 HydrophobicContact CB-CG1 4.05Å; P159-I164 HydrophobicContact CG-CD1 4.19Å; P159-I164 HydrophobicContact CG-CG1 4.08Å; P159-I164 WeakPolarHBondContact O-CD1 3.25Å; K160-I164 PolarHBondContact O-N 2.9Å; M161-I164 PolarHBondContact O-N 3.39Å; I164-E167 PolarHBondContact O-N 3.37Å; I164-A168 VanDerWaalsContact O-CB 3.31Å; I164-A168 WeakPolarHBondContact O-CB 3.01Å; I164-A168 PolarHBondContact O-N 3.48Å; I164-I187 HydrophobicContact CG2-CB 4.4Å; I164-I187 HydrophobicContact CG2-CD1 3.96Å; I164-I187 HydrophobicContact CG2-CG1 3.82Å; I164-I187 HydrophobicContact CG2-CG2 3.66Å; I164-Y191 HydrophobicContact CG2-CD2 3.79Å; I164-Y191 HydrophobicContact CG2-CE2 3.82Å; I164-L194 HydrophobicContact CD1-CD1 4.08Å; I164-L194 HydrophobicContact CD1-CD2 4.01Å |
| 165 | L | 89.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 175.8 | 177.9 | 60 | 0 | 0 | 0 | 112.4 | M161 A163 E167 A168 I169 I183 L203 A206 L207 E210 | M161-L165 WeakPolarHBondContact O-CB 3.46Å; M161-L165 PolarHBondContact O-N 3Å; A163-L165 PolarHBondContact O-N 3.45Å; L165-E167 VanDerWaalsContact C-N 3.31Å; L165-E167 PolarHBondContact O-N 2.63Å; L165-A168 PolarHBondContact O-N 3.45Å; L165-I169 HydrophobicContact CD1-CD1 3.81Å; L165-I169 HydrophobicContact CD1-CG1 4.21Å; L165-I169 HydrophobicContact CG-CD1 3.94Å; L165-I169 VanDerWaalsContact O-CG1 3.26Å; L165-I169 WeakPolarHBondContact O-CG1 3.34Å; L165-I169 PolarHBondContact O-N 2.88Å; L165-I183 HydrophobicContact CD1-CG2 3.74Å; L165-L203 HydrophobicContact CD1-CD1 3.85Å; L165-A206 HydrophobicContact CD2-CB 3.93Å; L165-L207 HydrophobicContact CD1-CD2 3.87Å; L165-L207 HydrophobicContact CD1-CG 4.17Å; L165-L207 HydrophobicContact CD2-CD2 4.1Å; L165-L207 HydrophobicContact CD2-CG 4.15Å; L165-E210 HydrophobicContact CD2-CB 4.31Å |
| 166 | T | 90.3 | Very high | 80.6 | Confident | 29 Ų | 29 | 73 Ų | 73 | 18% | 0.178 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | D162 A163 K170 V230 | D162-T166 WeakPolarHBondContact O-CB 3.34Å; D162-T166 PolarHBondContact O-N 3.04Å; D162-T166 PolarHBondContact O-OG1 2.8Å; A163-T166 WeakPolarHBondContact O-CB 3.42Å; A163-T166 PolarHBondContact O-N 3.1Å; A163-T166 VanDerWaalsContact O-N 3.09Å; T166-K170 WeakPolarHBondContact O-CG 3.26Å; T166-K170 PolarHBondContact O-N 3Å; T166-V230 HydrophobicContact CG2-CG1 4.36Å; T166-V230 HydrophobicContact CG2-CG2 4Å |
| 167 | E | 91.6 | Very high | 82.6 | Confident | 69 Ų | 69 | 70.7 Ų | 70.7 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.5 | -48.5 | 175.2 | -172 | 179.2 | 161.4 | 0 | 0 | 111.6 | A163 I164 L165 I169 K170 A171 K190 Y191 | A163-E167 WeakPolarHBondContact O-CB 3.32Å; A163-E167 PolarHBondContact O-N 2.76Å; I164-E167 PolarHBondContact O-N 3.37Å; L165-E167 VanDerWaalsContact C-N 3.31Å; L165-E167 PolarHBondContact O-N 2.63Å; E167-I169 VanDerWaalsContact C-N 3.33Å; E167-I169 PolarHBondContact O-N 3.09Å; E167-K170 WeakPolarHBondContact O-CB 3.49Å; E167-K170 PolarHBondContact O-N 3.32Å; E167-K170 VanDerWaalsContact O-N 3.1Å; E167-A171 PolarHBondContact O-N 2.74Å; E167-K190 IonicContact OE1-NZ 2.63Å; E167-K190 PolarHBondContact OE1-NZ 2.93Å; E167-Y191 PolarHBondContact OE2-OH 2.88Å |
| 168 | A | 92.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.5 | -38.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | I164 L165 K170 A171 C172 I183 Y186 I187 | I164-A168 VanDerWaalsContact O-CB 3.31Å; I164-A168 WeakPolarHBondContact O-CB 3.01Å; I164-A168 PolarHBondContact O-N 3.48Å; L165-A168 PolarHBondContact O-N 3.45Å; A168-K170 VanDerWaalsContact C-N 3.33Å; A168-K170 PolarHBondContact O-N 2.89Å; A168-A171 PolarHBondContact O-N 3.02Å; A168-C172 VanDerWaalsContact O-CB 3.29Å; A168-C172 WeakPolarHBondContact O-CB 3.3Å; A168-C172 PolarHBondContact O-N 3.46Å; A168-I183 HydrophobicContact CB-CG2 4.03Å; A168-Y186 HydrophobicContact CB-CD1 3.58Å; A168-Y186 HydrophobicContact CB-CE1 4.17Å; A168-Y186 HydrophobicContact CB-CG 4.33Å; A168-I187 HydrophobicContact CB-CD1 3.99Å; A168-I187 HydrophobicContact CB-CG1 3.77Å |
| 169 | I | 91.5 | Very high | 86.6 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.5 | -32.4 | 176.2 | -66.7 | 165.2 | 0 | 0 | 0 | 111.7 | L165 E167 F173 A178 I183 I216 F228 V230 | L165-I169 HydrophobicContact CD1-CD1 3.81Å; L165-I169 HydrophobicContact CD1-CG1 4.21Å; L165-I169 HydrophobicContact CG-CD1 3.94Å; L165-I169 VanDerWaalsContact O-CG1 3.26Å; L165-I169 WeakPolarHBondContact O-CG1 3.34Å; L165-I169 PolarHBondContact O-N 2.88Å; E167-I169 VanDerWaalsContact C-N 3.33Å; E167-I169 PolarHBondContact O-N 3.09Å; I169-F173 WeakPolarHBondContact O-CB 3.47Å; I169-F173 PolarHBondContact O-N 3.36Å; I169-A178 HydrophobicContact CB-CB 4.36Å; I169-A178 HydrophobicContact CG1-CB 4.43Å; I169-A178 HydrophobicContact CG2-CB 4.1Å; I169-I183 HydrophobicContact CD1-CD1 4.26Å; I169-I183 HydrophobicContact CG1-CD1 3.56Å; I169-I183 HydrophobicContact CG1-CG1 3.97Å; I169-I216 HydrophobicContact CD1-CD1 4.28Å; I169-I216 HydrophobicContact CD1-CG2 3.73Å; I169-F228 HydrophobicContact CD1-CB 4.19Å; I169-V230 HydrophobicContact CB-CG2 3.98Å; I169-V230 HydrophobicContact CG2-CG2 3.73Å |
| 170 | K | 90.8 | Very high | 88 | Confident | 143 Ų | 143 | 54.8 Ų | 54.8 | 62% | 0.622 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -70.6 | -47 | 173 | -71.2 | 169.6 | -179.9 | -179.7 | 0 | 111.5 | T166 E167 A168 F173 V230 | T166-K170 WeakPolarHBondContact O-CG 3.26Å; T166-K170 PolarHBondContact O-N 3Å; E167-K170 WeakPolarHBondContact O-CB 3.49Å; E167-K170 PolarHBondContact O-N 3.32Å; E167-K170 VanDerWaalsContact O-N 3.1Å; A168-K170 VanDerWaalsContact C-N 3.33Å; A168-K170 PolarHBondContact O-N 2.89Å; K170-F173 VanDerWaalsContact O-CB 3.31Å; K170-F173 WeakPolarHBondContact O-CB 3.38Å; K170-F173 PolarHBondContact O-N 3.15Å; K170-V230 HydrophobicContact CG-CG2 4.39Å |
| 171 | A | 90.8 | Very high | 88.8 | Confident | 58 Ų | 58 | 53.1 Ų | 53.1 | 48% | 0.479 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.5 | -36.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E167 A168 F173 Y186 | E167-A171 PolarHBondContact O-N 2.74Å; A168-A171 PolarHBondContact O-N 3.02Å; A171-F173 VanDerWaalsContact C-N 3.35Å; A171-Y186 HydrophobicContact CB-CD2 4.09Å; A171-Y186 HydrophobicContact CB-CE1 4.16Å; A171-Y186 HydrophobicContact CB-CE2 3.41Å; A171-Y186 VanDerWaalsContact CB-CE2 3.41Å; A171-Y186 VanDerWaalsContact CB-CZ 3.45Å |
| 172 | C | 88.8 | Confident | 89 | Confident | 25 Ų | 25 | 53 Ų | 53 | 17% | 0.169 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 21.7 | 176 | -61.3 | 0 | 0 | 0 | 0 | 113.4 | A168 Q174 A178 A182 Y186 | A168-C172 VanDerWaalsContact O-CB 3.29Å; A168-C172 WeakPolarHBondContact O-CB 3.3Å; A168-C172 PolarHBondContact O-N 3.46Å; C172-Q174 PolarHBondContact O-N 3.21Å; C172-A178 HydrophobicContact CB-CB 3.97Å; C172-A178 WeakPolarHBondContact O-CA 3.3Å; C172-A178 VanDerWaalsContact O-CB 3.24Å; C172-A178 WeakPolarHBondContact O-CB 3.44Å; C172-A182 HydrophobicContact CB-CB 3.98Å; C172-Y186 VanDerWaalsContact SG-CB 3.59Å |
| 173 | F | 87.9 | Confident | 89.3 | Confident | 121 Ų | 121 | 52 Ų | 52 | 53% | 0.531 | 28% | 0.282 | S | S | . | . | trans | -68.2 | 123.9 | -179 | -177.6 | -99.5 | 0 | 0 | 0 | 111.4 | I169 K170 A171 V229 | I169-F173 WeakPolarHBondContact O-CB 3.47Å; I169-F173 PolarHBondContact O-N 3.36Å; K170-F173 VanDerWaalsContact O-CB 3.31Å; K170-F173 WeakPolarHBondContact O-CB 3.38Å; K170-F173 PolarHBondContact O-N 3.15Å; A171-F173 VanDerWaalsContact C-N 3.35Å; F173-V229 HydrophobicContact CD2-CG2 4.42Å; F173-V229 HydrophobicContact CE2-CB 4.47Å; F173-V229 HydrophobicContact CE2-CG1 3.9Å; F173-V229 HydrophobicContact CE2-CG2 3.83Å | ||
| 174 | Q | 87.1 | Confident | 89.4 | Confident | 116 Ų | 116 | 54 Ų | 54 | 54% | 0.542 | 28% | 0.279 | S | S | . | . | trans | -120.8 | 171.9 | 174.7 | -66.3 | -177.9 | -26.5 | 0 | 0 | 109.8 | C172 S176 G177 | C172-Q174 PolarHBondContact O-N 3.21Å; Q174-S176 PolarHBondContact O-N 3.39Å; Q174-G177 PolarHBondContact O-N 3.3Å | ||
| 175 | K | 82.9 | Confident | 89.6 | Confident | 225 Ų | 225 | 61.3 Ų | 61.3 | 98% | 0.978 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -25.4 | 179.1 | -64.4 | -178.8 | 180 | 177.8 | 0 | 113.9 | ||
| 176 | S | 81.6 | Confident | 89.7 | Confident | 56 Ų | 56 | 64.1 Ų | 64.1 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 8.8 | 176.3 | 55.2 | 0 | 0 | 0 | 0 | 114.9 | Q174 S227 | Q174-S176 PolarHBondContact O-N 3.39Å; S176-S227 WeakPolarHBondContact O-CB 3.19Å |
| 177 | G | 88.1 | Confident | 89.7 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | trans | 80.5 | 167 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q174 F228 V229 | Q174-G177 PolarHBondContact O-N 3.3Å; G177-F228 CarbonylContact C-O 3.58Å; G177-F228 WeakPolarHBondContact CA-O 3.28Å; G177-V229 VanDerWaalsContact CA-CG2 3.45Å | ||
| 178 | A | 91.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 127.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I169 C172 I183 S227 F228 | I169-A178 HydrophobicContact CB-CB 4.36Å; I169-A178 HydrophobicContact CG1-CB 4.43Å; I169-A178 HydrophobicContact CG2-CB 4.1Å; C172-A178 HydrophobicContact CB-CB 3.97Å; C172-A178 WeakPolarHBondContact O-CA 3.3Å; C172-A178 VanDerWaalsContact O-CB 3.24Å; C172-A178 WeakPolarHBondContact O-CB 3.44Å; A178-I183 HydrophobicContact CB-CD1 4.08Å; A178-I183 HydrophobicContact CB-CG1 3.97Å; A178-S227 CarbonylContact O-C 3.56Å; A178-S227 WeakPolarHBondContact O-CA 3.3Å; A178-F228 PolarHBondContact N-O 2.96Å; A178-F228 PolarHBondContact O-N 3.48Å |
| 179 | S | 91.7 | Very high | 89.4 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 24% | 0.238 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 153.7 | 177.7 | 73.1 | 0 | 0 | 0 | 0 | 112.2 | V181 A182 I183 G226 | S179-V181 PolarHBondContact O-N 2.78Å; S179-V181 VanDerWaalsContact O-N 3.16Å; S179-A182 PolarHBondContact O-N 3.4Å; S179-A182 VanDerWaalsContact O-N 3.12Å; S179-A182 WeakPolarHBondContact OG-CB 3.38Å; S179-A182 PolarHBondContact OG-N 2.8Å; S179-A182 VanDerWaalsContact OG-N 3.16Å; S179-I183 WeakPolarHBondContact O-CD1 3.43Å; S179-I183 VanDerWaalsContact O-CG1 3.25Å; S179-I183 WeakPolarHBondContact O-CG1 3.49Å; S179-I183 PolarHBondContact O-N 3.15Å; S179-G226 WeakPolarHBondContact CA-O 3.29Å |
| 180 | V | 89.9 | Confident | 89.4 | Confident | 33 Ų | 33 | 74.8 Ų | 74.8 | 20% | 0.2 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -52.7 | -37.3 | 173.9 | -175.8 | 0 | 0 | 0 | 0 | 112 | R184 L203 L207 A224 G226 F228 | V180-R184 VanDerWaalsContact O-CB 3.29Å; V180-R184 WeakPolarHBondContact O-CB 3.49Å; V180-R184 PolarHBondContact O-N 3.04Å; V180-L203 HydrophobicContact CG1-CD2 4.35Å; V180-L207 HydrophobicContact CG1-CD1 4.29Å; V180-L207 HydrophobicContact CG2-CD1 4.17Å; V180-A224 WeakPolarHBondContact CG2-O 3.19Å; V180-G226 PolarHBondContact N-O 3.06Å; V180-F228 HydrophobicContact CG2-CD2 4.33Å; V180-F228 HydrophobicContact CG2-CE2 3.67Å |
| 181 | V | 90.5 | Very high | 89.1 | Confident | 100 Ų | 100 | 70.1 Ų | 70.1 | 61% | 0.606 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -68.3 | -44.3 | -179.6 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | S179 R184 K185 | S179-V181 PolarHBondContact O-N 2.78Å; S179-V181 VanDerWaalsContact O-N 3.16Å; V181-R184 PolarHBondContact O-N 3.04Å; V181-K185 WeakPolarHBondContact O-CG 3.38Å; V181-K185 PolarHBondContact O-N 2.84Å |
| 182 | A | 91.1 | Very high | 88.7 | Confident | 26 Ų | 26 | 72 Ų | 72 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C172 S179 R184 K185 Y186 | C172-A182 HydrophobicContact CB-CB 3.98Å; S179-A182 PolarHBondContact O-N 3.4Å; S179-A182 VanDerWaalsContact O-N 3.12Å; S179-A182 WeakPolarHBondContact OG-CB 3.38Å; S179-A182 PolarHBondContact OG-N 2.8Å; S179-A182 VanDerWaalsContact OG-N 3.16Å; A182-R184 VanDerWaalsContact C-N 3.35Å; A182-R184 PolarHBondContact O-N 3.15Å; A182-K185 PolarHBondContact O-N 3.01Å; A182-Y186 WeakPolarHBondContact O-CB 3.47Å; A182-Y186 PolarHBondContact O-N 2.95Å |
| 183 | I | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57.4 | -46.2 | 175.4 | -64.6 | 160.7 | 0 | 0 | 0 | 110.7 | L165 A168 I169 A178 S179 Y186 I187 L203 F228 | L165-I183 HydrophobicContact CD1-CG2 3.74Å; A168-I183 HydrophobicContact CB-CG2 4.03Å; I169-I183 HydrophobicContact CD1-CD1 4.26Å; I169-I183 HydrophobicContact CG1-CD1 3.56Å; I169-I183 HydrophobicContact CG1-CG1 3.97Å; A178-I183 HydrophobicContact CB-CD1 4.08Å; A178-I183 HydrophobicContact CB-CG1 3.97Å; S179-I183 WeakPolarHBondContact O-CD1 3.43Å; S179-I183 VanDerWaalsContact O-CG1 3.25Å; S179-I183 WeakPolarHBondContact O-CG1 3.49Å; S179-I183 PolarHBondContact O-N 3.15Å; I183-Y186 PolarHBondContact O-N 3.5Å; I183-I187 HydrophobicContact CG2-CD1 3.76Å; I183-I187 VanDerWaalsContact O-CG1 3.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.38Å; I183-I187 PolarHBondContact O-N 2.81Å; I183-L203 HydrophobicContact CG2-CD1 3.87Å; I183-L203 HydrophobicContact CG2-CD2 4.46Å; I183-F228 HydrophobicContact CD1-CD2 4.49Å |
| 184 | R | 90.4 | Very high | 87.8 | Confident | 95 Ų | 95 | 72.6 Ų | 72.6 | 36% | 0.358 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | 179.7 | -164.7 | 180 | -170.4 | -165.4 | 2 | 111.6 | V180 V181 A182 I187 I188 L196 E197 L203 | V180-R184 VanDerWaalsContact O-CB 3.29Å; V180-R184 WeakPolarHBondContact O-CB 3.49Å; V180-R184 PolarHBondContact O-N 3.04Å; V181-R184 PolarHBondContact O-N 3.04Å; A182-R184 VanDerWaalsContact C-N 3.35Å; A182-R184 PolarHBondContact O-N 3.15Å; R184-I187 PolarHBondContact O-N 3.44Å; R184-I188 HydrophobicContact CG-CD1 3.96Å; R184-I188 WeakPolarHBondContact O-CB 3.37Å; R184-I188 VanDerWaalsContact O-CG1 3.29Å; R184-I188 WeakPolarHBondContact O-CG1 3.44Å; R184-I188 PolarHBondContact O-N 2.92Å; R184-L196 PolarHBondContact NE-O 2.95Å; R184-L196 VanDerWaalsContact NE-O 3.1Å; R184-L196 PolarHBondContact NH2-O 3.48Å; R184-E197 PolarHBondContact NH2-O 3.22Å; R184-L203 HydrophobicContact CB-CD2 3.76Å; R184-L203 HydrophobicContact CG-CD2 3.97Å |
| 185 | K | 92.5 | Very high | 87.5 | Confident | 155 Ų | 155 | 69.8 Ų | 69.8 | 67% | 0.674 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.5 | -45.1 | 175.6 | -75.6 | -169.5 | 174.2 | -165.5 | 0 | 111.9 | V181 A182 I187 I188 H189 | V181-K185 WeakPolarHBondContact O-CG 3.38Å; V181-K185 PolarHBondContact O-N 2.84Å; A182-K185 PolarHBondContact O-N 3.01Å; K185-I187 PolarHBondContact O-N 3.07Å; K185-I188 PolarHBondContact O-N 3.39Å; K185-H189 WeakPolarHBondContact O-CB 3.34Å; K185-H189 PolarHBondContact O-N 3.02Å |
| 186 | Y | 91.3 | Very high | 87.5 | Confident | 60 Ų | 60 | 59.2 Ų | 59.2 | 24% | 0.235 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60 | -46.9 | 178.2 | -174.7 | -91.4 | 0 | 0 | 0 | 112.4 | A168 A171 C172 A182 I183 H189 K190 | A168-Y186 HydrophobicContact CB-CD1 3.58Å; A168-Y186 HydrophobicContact CB-CE1 4.17Å; A168-Y186 HydrophobicContact CB-CG 4.33Å; A171-Y186 HydrophobicContact CB-CD2 4.09Å; A171-Y186 HydrophobicContact CB-CE1 4.16Å; A171-Y186 HydrophobicContact CB-CE2 3.41Å; A171-Y186 VanDerWaalsContact CB-CE2 3.41Å; A171-Y186 VanDerWaalsContact CB-CZ 3.45Å; C172-Y186 VanDerWaalsContact SG-CB 3.59Å; A182-Y186 WeakPolarHBondContact O-CB 3.47Å; A182-Y186 PolarHBondContact O-N 2.95Å; I183-Y186 PolarHBondContact O-N 3.5Å; Y186-H189 PolarHBondContact O-N 3.44Å; Y186-K190 HydrophobicContact CE1-CB 4.4Å; Y186-K190 HydrophobicContact CE1-CD 3.67Å; Y186-K190 VanDerWaalsContact O-CB 3.3Å; Y186-K190 WeakPolarHBondContact O-CB 3.49Å; Y186-K190 PolarHBondContact O-N 3.45Å; Y186-K190 WeakPolarHBondContact OH-CD 3.46Å; Y186-K190 PolarHBondContact OH-NZ 3.49Å; Y186-K190 VanDerWaalsContact OH-NZ 3.17Å |
| 187 | I | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.1 | -34.5 | -178.1 | -55.5 | 166.6 | 0 | 0 | 0 | 111.1 | M161 I164 A168 I183 R184 K185 Y191 L194 L196 L203 | M161-I187 HydrophobicContact CE-CD1 4.21Å; I164-I187 HydrophobicContact CG2-CB 4.4Å; I164-I187 HydrophobicContact CG2-CD1 3.96Å; I164-I187 HydrophobicContact CG2-CG1 3.82Å; I164-I187 HydrophobicContact CG2-CG2 3.66Å; A168-I187 HydrophobicContact CB-CD1 3.99Å; A168-I187 HydrophobicContact CB-CG1 3.77Å; I183-I187 HydrophobicContact CG2-CD1 3.76Å; I183-I187 VanDerWaalsContact O-CG1 3.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.38Å; I183-I187 PolarHBondContact O-N 2.81Å; R184-I187 PolarHBondContact O-N 3.44Å; K185-I187 PolarHBondContact O-N 3.07Å; I187-Y191 HydrophobicContact CG2-CD2 4.02Å; I187-Y191 CarbonylContact O-C 3.53Å; I187-Y191 VanDerWaalsContact O-C 3.32Å; I187-Y191 VanDerWaalsContact O-CA 3.3Å; I187-Y191 WeakPolarHBondContact O-CA 3.24Å; I187-Y191 WeakPolarHBondContact O-CB 3.4Å; I187-Y191 PolarHBondContact O-N 3.47Å; I187-L194 HydrophobicContact CG2-CD2 3.91Å; I187-L196 HydrophobicContact CB-CD1 3.69Å; I187-L196 HydrophobicContact CD1-CD1 4.2Å; I187-L196 HydrophobicContact CG2-CD1 3.37Å; I187-L203 HydrophobicContact CD1-CD1 4.27Å |
| 188 | I | 90.4 | Very high | 86.9 | Confident | 58 Ų | 58 | 73.3 Ų | 73.3 | 30% | 0.297 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 172.2 | -71.3 | 168.9 | 0 | 0 | 0 | 110.8 | R184 K185 P192 L196 | R184-I188 HydrophobicContact CG-CD1 3.96Å; R184-I188 WeakPolarHBondContact O-CB 3.37Å; R184-I188 VanDerWaalsContact O-CG1 3.29Å; R184-I188 WeakPolarHBondContact O-CG1 3.44Å; R184-I188 PolarHBondContact O-N 2.92Å; K185-I188 PolarHBondContact O-N 3.39Å; I188-P192 WeakPolarHBondContact O-CA 3.21Å; I188-L196 HydrophobicContact CG1-CB 4.01Å |
| 189 | H | 88.1 | Confident | 86.5 | Confident | 172 Ų | 172 | 79.1 Ų | 79.1 | 80% | 0.796 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -71.6 | -34.1 | -178.3 | -167.9 | -52.5 | 0 | 0 | 0 | 113.4 | K185 Y186 | K185-H189 WeakPolarHBondContact O-CB 3.34Å; K185-H189 PolarHBondContact O-N 3.02Å; Y186-H189 PolarHBondContact O-N 3.44Å |
| 190 | K | 89.8 | Confident | 85.9 | Confident | 92 Ų | 92 | 78.2 Ų | 78.2 | 40% | 0.4 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -93.7 | -25.2 | -177 | -165.6 | 172.6 | -173.6 | -176.8 | 0 | 113.9 | E167 Y186 | E167-K190 IonicContact OE1-NZ 2.63Å; E167-K190 PolarHBondContact OE1-NZ 2.93Å; Y186-K190 HydrophobicContact CE1-CB 4.4Å; Y186-K190 HydrophobicContact CE1-CD 3.67Å; Y186-K190 VanDerWaalsContact O-CB 3.3Å; Y186-K190 WeakPolarHBondContact O-CB 3.49Å; Y186-K190 PolarHBondContact O-N 3.45Å; Y186-K190 WeakPolarHBondContact OH-CD 3.46Å; Y186-K190 PolarHBondContact OH-NZ 3.49Å; Y186-K190 VanDerWaalsContact OH-NZ 3.17Å |
| 191 | Y | 86.1 | Confident | 85.7 | Confident | 46 Ų | 46 | 83.2 Ų | 83.2 | 18% | 0.18 | 40% | 0.397 | C | S | . | . | trans | -136.4 | 65.5 | -178.9 | -55.2 | -84 | 0 | 0 | 0 | 110.5 | I164 E167 I187 S193 L194 | I164-Y191 HydrophobicContact CG2-CD2 3.79Å; I164-Y191 HydrophobicContact CG2-CE2 3.82Å; E167-Y191 PolarHBondContact OE2-OH 2.88Å; I187-Y191 HydrophobicContact CG2-CD2 4.02Å; I187-Y191 CarbonylContact O-C 3.53Å; I187-Y191 VanDerWaalsContact O-C 3.32Å; I187-Y191 VanDerWaalsContact O-CA 3.3Å; I187-Y191 WeakPolarHBondContact O-CA 3.24Å; I187-Y191 WeakPolarHBondContact O-CB 3.4Å; I187-Y191 PolarHBondContact O-N 3.47Å; Y191-S193 PolarHBondContact O-N 2.94Å; Y191-S193 VanDerWaalsContact O-N 3.15Å; Y191-L194 WeakPolarHBondContact O-CB 3.5Å; Y191-L194 PolarHBondContact O-N 3.43Å | ||
| 192 | P | 82.2 | Confident | 85.6 | Confident | 96 Ų | 96 | 81 Ų | 81 | 62% | 0.623 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -57.3 | -31 | 178.5 | 22.6 | -33.5 | 0 | 0 | 0 | 112.3 | I188 L194 E195 | I188-P192 WeakPolarHBondContact O-CA 3.21Å; P192-L194 PolarHBondContact O-N 3.07Å; P192-E195 PolarHBondContact O-N 3.18Å |
| 193 | S | 78.5 | Confident | 85.5 | Confident | 114 Ų | 114 | 79.9 Ų | 79.9 | 80% | 0.797 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -61.4 | -9.1 | 173.7 | 57 | 0 | 0 | 0 | 0 | 115.5 | Y191 | Y191-S193 PolarHBondContact O-N 2.94Å; Y191-S193 VanDerWaalsContact O-N 3.15Å |
| 194 | L | 79.4 | Confident | 85.4 | Confident | 46 Ų | 46 | 86.5 Ų | 86.5 | 24% | 0.241 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -86.3 | -10.3 | 173.6 | -122.6 | 75.7 | 0 | 0 | 0 | 113.7 | M161 I164 I187 Y191 P192 L196 | M161-L194 HydrophobicContact CE-CD2 4.45Å; M161-L194 HydrophobicContact SD-CD2 3.52Å; M161-L194 VanDerWaalsContact SD-CD2 3.52Å; I164-L194 HydrophobicContact CD1-CD1 4.08Å; I164-L194 HydrophobicContact CD1-CD2 4.01Å; I187-L194 HydrophobicContact CG2-CD2 3.91Å; Y191-L194 WeakPolarHBondContact O-CB 3.5Å; Y191-L194 PolarHBondContact O-N 3.43Å; P192-L194 PolarHBondContact O-N 3.07Å; L194-L196 HydrophobicContact CB-CG 4.35Å; L194-L196 HydrophobicContact CD2-CD1 4.22Å; L194-L196 HydrophobicContact CD2-CG 4.36Å; L194-L196 PolarHBondContact O-N 2.69Å |
| 195 | E | 80.4 | Confident | 85.3 | Confident | 57 Ų | 57 | 87.8 Ų | 87.8 | 27% | 0.266 | 41% | 0.41 | S | S | . | . | trans | 49.6 | 35.3 | 175.5 | -152.9 | -173.5 | -155.7 | 0 | 0 | 114.3 | P192 E197 R198 R199 | P192-E195 PolarHBondContact O-N 3.18Å; E195-E197 PolarHBondContact O-N 2.93Å; E195-R198 HydrophobicContact CG-CB 4.28Å; E195-R198 HydrophobicContact CG-CG 4.42Å; E195-R198 PolarHBondContact O-N 3.17Å; E195-R198 VanDerWaalsContact O-N 3.15Å; E195-R198 WeakPolarHBondContact OE1-CD 3.36Å; E195-R198 IonicContact OE1-CZ 2.71Å; E195-R198 IonicContact OE1-NE 3.22Å; E195-R198 IonicContact OE1-NH1 3.86Å; E195-R198 PolarHBondContact OE1-NH1 2.95Å; E195-R199 HydrophobicContact CB-CG 4.37Å; E195-R199 WeakPolarHBondContact O-CB 3.38Å; E195-R199 PolarHBondContact O-N 3.38Å; E195-R199 IonicContact OE2-CZ 3.87Å; E195-R199 IonicContact OE2-NE 2.68Å; E195-R199 PolarHBondContact OE2-NE 2.71Å; E195-R199 IonicContact OE2-NH2 2.72Å; E195-R199 PolarHBondContact OE2-NH2 2.88Å | ||
| 196 | L | 81.9 | Confident | 85.1 | Confident | 2 Ų | 2 | 80.5 Ų | 80.5 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -7.3 | -173.5 | -85.9 | 179 | 0 | 0 | 0 | 115.2 | M161 R184 I187 I188 L194 G200 L202 L203 | M161-L196 HydrophobicContact CE-CD1 4.05Å; M161-L196 HydrophobicContact CE-CD2 4.26Å; R184-L196 PolarHBondContact NE-O 2.95Å; R184-L196 VanDerWaalsContact NE-O 3.1Å; R184-L196 PolarHBondContact NH2-O 3.48Å; I187-L196 HydrophobicContact CB-CD1 3.69Å; I187-L196 HydrophobicContact CD1-CD1 4.2Å; I187-L196 HydrophobicContact CG2-CD1 3.37Å; I188-L196 HydrophobicContact CG1-CB 4.01Å; L194-L196 HydrophobicContact CB-CG 4.35Å; L194-L196 HydrophobicContact CD2-CD1 4.22Å; L194-L196 HydrophobicContact CD2-CG 4.36Å; L194-L196 PolarHBondContact O-N 2.69Å; L196-G200 PolarHBondContact O-N 3.01Å; L196-L202 HydrophobicContact CD2-CB 4.19Å; L196-L203 HydrophobicContact CD2-CB 3.98Å |
| 197 | E | 79.4 | Confident | 85.1 | Confident | 150 Ų | 150 | 77.7 Ų | 77.7 | 70% | 0.701 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -58.5 | 168 | -170.2 | 147.5 | -109.1 | 0 | 0 | 110.4 | R184 E195 | R184-E197 PolarHBondContact NH2-O 3.22Å; E195-E197 PolarHBondContact O-N 2.93Å |
| 198 | R | 78.9 | Confident | 85 | Confident | 204 Ų | 204 | 84.5 Ų | 84.5 | 77% | 0.77 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -43.3 | 173.2 | -58.7 | -172.6 | -178.9 | 128.4 | -4.8 | 111.8 | E195 G200 | E195-R198 HydrophobicContact CG-CB 4.28Å; E195-R198 HydrophobicContact CG-CG 4.42Å; E195-R198 PolarHBondContact O-N 3.17Å; E195-R198 VanDerWaalsContact O-N 3.15Å; E195-R198 WeakPolarHBondContact OE1-CD 3.36Å; E195-R198 IonicContact OE1-CZ 2.71Å; E195-R198 IonicContact OE1-NE 3.22Å; E195-R198 IonicContact OE1-NH1 3.86Å; E195-R198 PolarHBondContact OE1-NH1 2.95Å; R198-G200 VanDerWaalsContact C-N 3.34Å; R198-G200 PolarHBondContact O-N 3.35Å |
| 199 | R | 81.2 | Confident | 84.9 | Confident | 121 Ų | 121 | 87 Ų | 87 | 46% | 0.457 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 35.9 | -171.2 | -52.8 | -173.3 | -163.7 | -158.5 | 3.5 | 114.6 | E195 Y201 L202 | E195-R199 HydrophobicContact CB-CG 4.37Å; E195-R199 WeakPolarHBondContact O-CB 3.38Å; E195-R199 PolarHBondContact O-N 3.38Å; E195-R199 IonicContact OE2-CZ 3.87Å; E195-R199 IonicContact OE2-NE 2.68Å; E195-R199 PolarHBondContact OE2-NE 2.71Å; E195-R199 IonicContact OE2-NH2 2.72Å; E195-R199 PolarHBondContact OE2-NH2 2.88Å; R199-Y201 HydrophobicContact CB-CE1 3.99Å; R199-Y201 HydrophobicContact CG-CE1 4.42Å; R199-Y201 PolarHBondContact O-N 3.39Å; R199-L202 HydrophobicContact CB-CD1 3.79Å; R199-L202 HydrophobicContact CB-CG 4.27Å; R199-L202 WeakPolarHBondContact O-CB 3.48Å; R199-L202 PolarHBondContact O-N 3.27Å |
| 200 | G | 79.8 | Confident | 84.9 | Confident | 16 Ų | 16 | 79.4 Ų | 79.4 | 17% | 0.165 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.3 | -16.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L196 R198 L202 K204 | L196-G200 PolarHBondContact O-N 3.01Å; R198-G200 VanDerWaalsContact C-N 3.34Å; R198-G200 PolarHBondContact O-N 3.35Å; G200-L202 VanDerWaalsContact C-N 3.35Å; G200-K204 PolarHBondContact O-N 3.07Å |
| 201 | Y | 87.1 | Confident | 84.9 | Confident | 137 Ų | 137 | 77.9 Ų | 77.9 | 54% | 0.537 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.7 | -31.9 | 173.7 | 70 | -86.5 | 0 | 0 | 0 | 113.1 | R199 L203 K204 Q205 | R199-Y201 HydrophobicContact CB-CE1 3.99Å; R199-Y201 HydrophobicContact CG-CE1 4.42Å; R199-Y201 PolarHBondContact O-N 3.39Å; Y201-L203 VanDerWaalsContact C-N 3.32Å; Y201-L203 PolarHBondContact O-N 3.23Å; Y201-K204 PolarHBondContact O-N 2.71Å; Y201-Q205 WeakPolarHBondContact O-CB 3.43Å; Y201-Q205 PolarHBondContact O-N 2.7Å |
| 202 | L | 88.1 | Confident | 85 | Confident | 53 Ų | 53 | 81.6 Ų | 81.6 | 28% | 0.277 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 179.5 | -66.3 | 174.9 | 0 | 0 | 0 | 111.6 | L196 R199 G200 Q205 A206 | L196-L202 HydrophobicContact CD2-CB 4.19Å; R199-L202 HydrophobicContact CB-CD1 3.79Å; R199-L202 HydrophobicContact CB-CG 4.27Å; R199-L202 WeakPolarHBondContact O-CB 3.48Å; R199-L202 PolarHBondContact O-N 3.27Å; G200-L202 VanDerWaalsContact C-N 3.35Å; L202-Q205 PolarHBondContact O-N 2.76Å; L202-A206 WeakPolarHBondContact O-CB 3.44Å; L202-A206 PolarHBondContact O-N 3.28Å |
| 203 | L | 88.7 | Confident | 85.1 | Confident | 4 Ų | 4 | 83.2 Ų | 83.2 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 175.4 | 178.9 | 59.1 | 0 | 0 | 0 | 111.8 | M161 L165 V180 I183 R184 I187 L196 Y201 Q205 A206 L207 | M161-L203 HydrophobicContact CE-CB 3.97Å; M161-L203 HydrophobicContact CE-CD1 3.77Å; M161-L203 HydrophobicContact CE-CG 4.48Å; L165-L203 HydrophobicContact CD1-CD1 3.85Å; V180-L203 HydrophobicContact CG1-CD2 4.35Å; I183-L203 HydrophobicContact CG2-CD1 3.87Å; I183-L203 HydrophobicContact CG2-CD2 4.46Å; R184-L203 HydrophobicContact CB-CD2 3.76Å; R184-L203 HydrophobicContact CG-CD2 3.97Å; I187-L203 HydrophobicContact CD1-CD1 4.27Å; L196-L203 HydrophobicContact CD2-CB 3.98Å; Y201-L203 VanDerWaalsContact C-N 3.32Å; Y201-L203 PolarHBondContact O-N 3.23Å; L203-Q205 VanDerWaalsContact C-N 3.34Å; L203-Q205 PolarHBondContact O-N 3.11Å; L203-A206 PolarHBondContact O-N 3.23Å; L203-L207 HydrophobicContact CD1-CD1 4.12Å; L203-L207 HydrophobicContact CD1-CG 4.27Å; L203-L207 HydrophobicContact CG-CD1 4.08Å; L203-L207 WeakPolarHBondContact O-CB 3.37Å; L203-L207 WeakPolarHBondContact O-CG 3.38Å; L203-L207 PolarHBondContact O-N 2.72Å |
| 204 | K | 88 | Confident | 85.3 | Confident | 138 Ų | 138 | 79.4 Ų | 79.4 | 60% | 0.6 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.4 | -41.6 | 175.3 | -66.3 | 178.1 | -179.2 | 178.2 | 0 | 111.6 | G200 Y201 K208 A224 | G200-K204 PolarHBondContact O-N 3.07Å; Y201-K204 PolarHBondContact O-N 2.71Å; K204-K208 WeakPolarHBondContact O-CB 3.16Å; K204-K208 PolarHBondContact O-N 2.72Å; K204-K208 VanDerWaalsContact O-N 3.07Å; K204-A224 HydrophobicContact CB-CB 4.42Å; K204-A224 HydrophobicContact CG-CB 4.46Å |
| 205 | Q | 89.7 | Confident | 85.6 | Confident | 122 Ų | 122 | 78.8 Ų | 78.8 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.7 | -43 | 179.3 | -168.8 | 179.5 | 16.2 | 0 | 0 | 111.9 | Y201 L202 L203 K208 R209 | Y201-Q205 WeakPolarHBondContact O-CB 3.43Å; Y201-Q205 PolarHBondContact O-N 2.7Å; L202-Q205 PolarHBondContact O-N 2.76Å; L203-Q205 VanDerWaalsContact C-N 3.34Å; L203-Q205 PolarHBondContact O-N 3.11Å; Q205-K208 PolarHBondContact O-N 2.83Å; Q205-R209 PolarHBondContact O-N 2.95Å |
| 206 | A | 88.8 | Confident | 86 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 2% | 0.017 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M161 L165 L202 L203 K208 R209 E210 | M161-A206 HydrophobicContact CB-CB 4.39Å; M161-A206 HydrophobicContact CE-CB 4.45Å; M161-A206 HydrophobicContact CG-CB 3.52Å; L165-A206 HydrophobicContact CD2-CB 3.93Å; L202-A206 WeakPolarHBondContact O-CB 3.44Å; L202-A206 PolarHBondContact O-N 3.28Å; L203-A206 PolarHBondContact O-N 3.23Å; A206-K208 VanDerWaalsContact C-N 3.33Å; A206-K208 PolarHBondContact O-N 3.1Å; A206-R209 PolarHBondContact O-N 3.19Å; A206-R209 VanDerWaalsContact O-N 3.17Å; A206-E210 WeakPolarHBondContact O-CB 3.22Å; A206-E210 PolarHBondContact O-N 2.68Å |
| 207 | L | 89.8 | Confident | 86.4 | Confident | 2 Ų | 2 | 82.6 Ų | 82.6 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56.2 | -45.1 | 173.7 | -79.7 | 165.7 | 0 | 0 | 0 | 111.9 | L165 V180 L203 E210 L211 I216 F228 | L165-L207 HydrophobicContact CD1-CD2 3.87Å; L165-L207 HydrophobicContact CD1-CG 4.17Å; L165-L207 HydrophobicContact CD2-CD2 4.1Å; L165-L207 HydrophobicContact CD2-CG 4.15Å; V180-L207 HydrophobicContact CG1-CD1 4.29Å; V180-L207 HydrophobicContact CG2-CD1 4.17Å; L203-L207 HydrophobicContact CD1-CD1 4.12Å; L203-L207 HydrophobicContact CD1-CG 4.27Å; L203-L207 HydrophobicContact CG-CD1 4.08Å; L203-L207 WeakPolarHBondContact O-CB 3.37Å; L203-L207 WeakPolarHBondContact O-CG 3.38Å; L203-L207 PolarHBondContact O-N 2.72Å; L207-E210 PolarHBondContact O-N 2.72Å; L207-L211 VanDerWaalsContact O-CB 3.24Å; L207-L211 WeakPolarHBondContact O-CB 3.45Å; L207-L211 PolarHBondContact O-N 3.29Å; L207-I216 HydrophobicContact CD2-CD1 3.72Å; L207-F228 HydrophobicContact CD1-CE2 4.4Å; L207-F228 HydrophobicContact CD2-CD1 4.32Å; L207-F228 HydrophobicContact CD2-CD2 3.87Å; L207-F228 HydrophobicContact CD2-CE1 4.42Å; L207-F228 HydrophobicContact CD2-CE2 3.99Å; L207-F228 HydrophobicContact CD2-CG 4.05Å; L207-F228 HydrophobicContact CD2-CZ 4.26Å |
| 208 | K | 89.2 | Confident | 86.9 | Confident | 143 Ų | 143 | 78.1 Ų | 78.1 | 62% | 0.622 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.3 | -42.1 | 176.4 | -170.3 | 176.9 | -179.4 | -178.6 | 0 | 112 | K204 Q205 A206 N212 | K204-K208 WeakPolarHBondContact O-CB 3.16Å; K204-K208 PolarHBondContact O-N 2.72Å; K204-K208 VanDerWaalsContact O-N 3.07Å; Q205-K208 PolarHBondContact O-N 2.83Å; A206-K208 VanDerWaalsContact C-N 3.33Å; A206-K208 PolarHBondContact O-N 3.1Å; K208-N212 WeakPolarHBondContact O-CB 3.46Å; K208-N212 PolarHBondContact O-N 2.8Å; K208-N212 PolarHBondContact O-OD1 3.34Å |
| 209 | R | 88.8 | Confident | 87.4 | Confident | 110 Ų | 110 | 72.5 Ų | 72.5 | 42% | 0.415 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 176.4 | 174.5 | 163.2 | 67.1 | -155 | -0.4 | 112.1 | D162 Q205 A206 N212 R213 | D162-R209 VanDerWaalsContact CG-NH2 3.34Å; D162-R209 IonicContact OD1-CZ 3.5Å; D162-R209 VanDerWaalsContact OD1-CZ 3.22Å; D162-R209 IonicContact OD1-NE 3.23Å; D162-R209 PolarHBondContact OD1-NE 2.73Å; D162-R209 IonicContact OD1-NH2 3.28Å; D162-R209 PolarHBondContact OD1-NH2 3.18Å; D162-R209 IonicContact OD2-CZ 2.69Å; D162-R209 IonicContact OD2-NE 3.99Å; D162-R209 PolarHBondContact OD2-NE 3.28Å; D162-R209 IonicContact OD2-NH2 2.93Å; D162-R209 PolarHBondContact OD2-NH2 3.17Å; Q205-R209 PolarHBondContact O-N 2.95Å; A206-R209 PolarHBondContact O-N 3.19Å; A206-R209 VanDerWaalsContact O-N 3.17Å; R209-N212 PolarHBondContact O-N 2.84Å; R209-R213 WeakPolarHBondContact O-CG 3.34Å; R209-R213 PolarHBondContact O-N 3.37Å |
| 210 | E | 88 | Confident | 87.6 | Confident | 13 Ų | 13 | 74 Ų | 74 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -79 | -26.3 | -171.9 | -145 | 54.4 | -147.6 | 0 | 0 | 112.9 | L165 A206 L207 R213 G214 V215 I216 | L165-E210 HydrophobicContact CD2-CB 4.31Å; A206-E210 WeakPolarHBondContact O-CB 3.22Å; A206-E210 PolarHBondContact O-N 2.68Å; L207-E210 PolarHBondContact O-N 2.72Å; E210-R213 IonicContact OE1-NH1 3.68Å; E210-R213 WeakPolarHBondContact OE2-CD 3.46Å; E210-R213 IonicContact OE2-CZ 3.13Å; E210-R213 IonicContact OE2-NE 2.7Å; E210-R213 IonicContact OE2-NH1 2.72Å; E210-R213 PolarHBondContact OE2-NH1 3.03Å; E210-G214 PolarHBondContact O-N 3.42Å; E210-V215 HydrophobicContact CG-CB 3.96Å; E210-V215 HydrophobicContact CG-CG1 4.07Å; E210-V215 PolarHBondContact O-N 3.08Å; E210-V215 VanDerWaalsContact O-N 3.15Å; E210-V215 WeakPolarHBondContact OE1-CB 3.42Å; E210-V215 WeakPolarHBondContact OE1-CG1 3.45Å; E210-V215 WeakPolarHBondContact OE1-CG2 3.48Å; E210-I216 HydrophobicContact CB-CD1 4.13Å; E210-I216 HydrophobicContact CB-CG1 4.15Å; E210-I216 HydrophobicContact CG-CG2 4.3Å; E210-I216 PolarHBondContact O-N 2.86Å |
| 211 | L | 89.6 | Confident | 87.8 | Confident | 59 Ų | 59 | 75.9 Ų | 75.9 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.8 | -44.5 | 167.1 | -176 | 141 | 0 | 0 | 0 | 111.2 | L207 R213 G214 I216 Q218 F228 | L207-L211 VanDerWaalsContact O-CB 3.24Å; L207-L211 WeakPolarHBondContact O-CB 3.45Å; L207-L211 PolarHBondContact O-N 3.29Å; L211-R213 PolarHBondContact O-N 3.19Å; L211-G214 PolarHBondContact O-N 2.87Å; L211-I216 HydrophobicContact CB-CD1 4.42Å; L211-I216 HydrophobicContact CB-CG1 4.1Å; L211-Q218 HydrophobicContact CD1-CB 3.85Å; L211-F228 HydrophobicContact CD1-CD1 4.42Å; L211-F228 HydrophobicContact CD1-CE1 3.84Å |
| 212 | N | 87 | Confident | 87.4 | Confident | 124 Ų | 124 | 78.6 Ų | 78.6 | 66% | 0.663 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.3 | -30.6 | 173.9 | -74.8 | 8.4 | 0 | 0 | 0 | 112.7 | K208 R209 G214 | K208-N212 WeakPolarHBondContact O-CB 3.46Å; K208-N212 PolarHBondContact O-N 2.8Å; K208-N212 PolarHBondContact O-OD1 3.34Å; R209-N212 PolarHBondContact O-N 2.84Å; N212-G214 VanDerWaalsContact C-N 3.27Å; N212-G214 PolarHBondContact O-N 3.04Å |
| 213 | R | 84.3 | Confident | 86.9 | Confident | 130 Ų | 130 | 78.2 Ų | 78.2 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -8 | 172.6 | -78 | 169.2 | 160.2 | 168.6 | -3.8 | 114.6 | D162 R209 E210 L211 V215 | D162-R213 VanDerWaalsContact CG-NH1 3.31Å; D162-R213 IonicContact OD1-NH1 3.73Å; D162-R213 IonicContact OD2-CZ 2.66Å; D162-R213 IonicContact OD2-NH1 3.65Å; D162-R213 PolarHBondContact OD2-NH1 3.32Å; D162-R213 IonicContact OD2-NH2 2.66Å; R209-R213 WeakPolarHBondContact O-CG 3.34Å; R209-R213 PolarHBondContact O-N 3.37Å; E210-R213 IonicContact OE1-NH1 3.68Å; E210-R213 WeakPolarHBondContact OE2-CD 3.46Å; E210-R213 IonicContact OE2-CZ 3.13Å; E210-R213 IonicContact OE2-NE 2.7Å; E210-R213 IonicContact OE2-NH1 2.72Å; E210-R213 PolarHBondContact OE2-NH1 3.03Å; L211-R213 PolarHBondContact O-N 3.19Å; R213-V215 HydrophobicContact CB-CG2 4.1Å; R213-V215 PolarHBondContact O-N 3.22Å |
| 214 | G | 83.9 | Confident | 86.2 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 36% | 0.361 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 26.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E210 L211 N212 K233 | E210-G214 PolarHBondContact O-N 3.42Å; L211-G214 PolarHBondContact O-N 2.87Å; N212-G214 VanDerWaalsContact C-N 3.27Å; N212-G214 PolarHBondContact O-N 3.04Å; G214-K233 WeakPolarHBondContact O-CE 3.46Å |
| 215 | V | 86 | Confident | 85.9 | Confident | 33 Ų | 33 | 77.8 Ų | 77.8 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -90 | -27.6 | 174.9 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | E210 R213 V231 | E210-V215 HydrophobicContact CG-CB 3.96Å; E210-V215 HydrophobicContact CG-CG1 4.07Å; E210-V215 PolarHBondContact O-N 3.08Å; E210-V215 VanDerWaalsContact O-N 3.15Å; E210-V215 WeakPolarHBondContact OE1-CB 3.42Å; E210-V215 WeakPolarHBondContact OE1-CG1 3.45Å; E210-V215 WeakPolarHBondContact OE1-CG2 3.48Å; R213-V215 HydrophobicContact CB-CG2 4.1Å; R213-V215 PolarHBondContact O-N 3.22Å; V215-V231 WeakPolarHBondContact O-CB 3.36Å; V215-V231 PolarHBondContact O-N 3.1Å |
| 216 | I | 88.8 | Confident | 85.7 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 146.3 | 165.1 | 66.1 | 175.9 | 0 | 0 | 0 | 110.5 | I169 L207 E210 L211 F228 V229 V230 | I169-I216 HydrophobicContact CD1-CD1 4.28Å; I169-I216 HydrophobicContact CD1-CG2 3.73Å; L207-I216 HydrophobicContact CD2-CD1 3.72Å; E210-I216 HydrophobicContact CB-CD1 4.13Å; E210-I216 HydrophobicContact CB-CG1 4.15Å; E210-I216 HydrophobicContact CG-CG2 4.3Å; E210-I216 PolarHBondContact O-N 2.86Å; L211-I216 HydrophobicContact CB-CD1 4.42Å; L211-I216 HydrophobicContact CB-CG1 4.1Å; I216-F228 HydrophobicContact CD1-CB 4.41Å; I216-F228 HydrophobicContact CD1-CD1 3.82Å; I216-F228 HydrophobicContact CD1-CE1 4.46Å; I216-F228 HydrophobicContact CD1-CG 4.27Å; I216-F228 HydrophobicContact CG1-CD1 4.39Å; I216-V229 CarbonylContact C-O 3.56Å; I216-V229 VanDerWaalsContact CA-O 3.3Å; I216-V229 WeakPolarHBondContact CA-O 3.36Å; I216-V230 HydrophobicContact CG2-CG2 4.34Å |
| 217 | K | 89.8 | Confident | 85.8 | Confident | 137 Ų | 137 | 73.3 Ų | 73.3 | 60% | 0.596 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 139.6 | 168.5 | -83.6 | 173 | -173.5 | -178.4 | 0 | 109.8 | F228 V229 V231 | K217-F228 WeakPolarHBondContact O-CA 3.49Å; K217-V229 PolarHBondContact N-O 3.48Å; K217-V229 PolarHBondContact O-N 3.14Å; K217-V231 HydrophobicContact CB-CG2 4.07Å; K217-V231 HydrophobicContact CD-CG2 3.75Å; K217-V231 HydrophobicContact CG-CG2 3.53Å |
| 218 | Q | 90.6 | Very high | 85.9 | Confident | 55 Ų | 55 | 73.3 Ų | 73.3 | 26% | 0.257 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 121.6 | 168.2 | -176.4 | 158.6 | 37.9 | 0 | 0 | 108.8 | L211 K220 G221 G223 S225 F228 | L211-Q218 HydrophobicContact CD1-CB 3.85Å; Q218-K220 WeakPolarHBondContact CG-O 3.29Å; Q218-G221 VanDerWaalsContact NE2-C 3.33Å; Q218-G223 PolarHBondContact NE2-O 2.91Å; Q218-G223 PolarHBondContact OE1-O 2.99Å; Q218-S225 PolarHBondContact NE2-O 2.98Å; Q218-F228 HydrophobicContact CB-CD1 4.13Å; Q218-F228 HydrophobicContact CB-CE1 3.87Å; Q218-F228 HydrophobicContact CG-CE1 4.08Å; Q218-F228 HydrophobicContact CG-CZ 4.47Å |
| 219 | V | 88.8 | Confident | 85.9 | Confident | 87 Ų | 87 | 68.2 Ų | 68.2 | 53% | 0.527 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -31.8 | 178.5 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | S227 V229 | V219-S227 PolarHBondContact N-O 2.84Å; V219-V229 HydrophobicContact CG2-CB 4.18Å; V219-V229 HydrophobicContact CG2-CG2 3.55Å |
| 220 | K | 85.1 | Confident | 86 | Confident | 151 Ų | 151 | 64.3 Ų | 64.3 | 66% | 0.657 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 148.5 | 178.9 | -170.4 | 172.1 | -178.1 | 177.4 | 0 | 109.8 | Q218 G226 S227 | Q218-K220 WeakPolarHBondContact CG-O 3.29Å; K220-G226 CarbonylContact O-C 3.54Å; K220-G226 WeakPolarHBondContact O-CA 3.4Å; K220-S227 PolarHBondContact O-N 3.48Å |
| 221 | G | 84.9 | Confident | 85.9 | Confident | 56 Ų | 56 | 65.4 Ų | 65.4 | 58% | 0.577 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 89 | -173.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q218 S225 | Q218-G221 VanDerWaalsContact NE2-C 3.33Å; G221-S225 WeakPolarHBondContact CA-O 3.47Å |
| 222 | K | 78.7 | Confident | 85.1 | Confident | 194 Ų | 194 | 70.9 Ų | 70.9 | 84% | 0.843 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 131.6 | -178.3 | -170.5 | 175.8 | -178.3 | 179.9 | 0 | 109.7 | S225 | K222-S225 PolarHBondContact N-O 3.29Å |
| 223 | G | 77.2 | Confident | 83.5 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 46% | 0.464 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | -143.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q218 S225 | Q218-G223 PolarHBondContact NE2-O 2.91Å; Q218-G223 PolarHBondContact OE1-O 2.99Å; G223-S225 PolarHBondContact O-N 2.9Å; G223-S225 VanDerWaalsContact O-N 3.15Å |
| 224 | A | 73.8 | Confident | 81.5 | Confident | 44 Ų | 44 | 69.3 Ų | 69.3 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -1.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V180 K204 | V180-A224 WeakPolarHBondContact CG2-O 3.19Å; K204-A224 HydrophobicContact CB-CB 4.42Å; K204-A224 HydrophobicContact CG-CB 4.46Å |
| 225 | S | 80.6 | Confident | 79.5 | Confident | 89 Ų | 89 | 79.8 Ų | 79.8 | 62% | 0.622 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 124.3 | 175.7 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | Q218 G221 K222 G223 | Q218-S225 PolarHBondContact NE2-O 2.98Å; G221-S225 WeakPolarHBondContact CA-O 3.47Å; K222-S225 PolarHBondContact N-O 3.29Å; G223-S225 PolarHBondContact O-N 2.9Å; G223-S225 VanDerWaalsContact O-N 3.15Å |
| 226 | G | 87.1 | Confident | 77.3 | Confident | 15 Ų | 15 | 87.1 Ų | 87.1 | 16% | 0.155 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.1 | -162.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | S179 V180 K220 | S179-G226 WeakPolarHBondContact CA-O 3.29Å; V180-G226 PolarHBondContact N-O 3.06Å; K220-G226 CarbonylContact O-C 3.54Å; K220-G226 WeakPolarHBondContact O-CA 3.4Å |
| 227 | S | 89.1 | Confident | 74.8 | Confident | 15 Ų | 15 | 92.6 Ų | 92.6 | 11% | 0.105 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.3 | 170.4 | -61.4 | 0 | 0 | 0 | 0 | 110 | S176 A178 V219 K220 | S176-S227 WeakPolarHBondContact O-CB 3.19Å; A178-S227 CarbonylContact O-C 3.56Å; A178-S227 WeakPolarHBondContact O-CA 3.3Å; V219-S227 PolarHBondContact N-O 2.84Å; K220-S227 PolarHBondContact O-N 3.48Å |
| 228 | F | 91.8 | Very high | 72.4 | Confident | 2 Ų | 2 | 92.3 Ų | 92.3 | 1% | 0.009 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 148.5 | -171.1 | -61.4 | -86.6 | 0 | 0 | 0 | 111.7 | I169 G177 A178 V180 I183 L207 L211 I216 K217 Q218 | I169-F228 HydrophobicContact CD1-CB 4.19Å; G177-F228 CarbonylContact C-O 3.58Å; G177-F228 WeakPolarHBondContact CA-O 3.28Å; A178-F228 PolarHBondContact N-O 2.96Å; A178-F228 PolarHBondContact O-N 3.48Å; V180-F228 HydrophobicContact CG2-CD2 4.33Å; V180-F228 HydrophobicContact CG2-CE2 3.67Å; I183-F228 HydrophobicContact CD1-CD2 4.49Å; L207-F228 HydrophobicContact CD1-CE2 4.4Å; L207-F228 HydrophobicContact CD2-CD1 4.32Å; L207-F228 HydrophobicContact CD2-CD2 3.87Å; L207-F228 HydrophobicContact CD2-CE1 4.42Å; L207-F228 HydrophobicContact CD2-CE2 3.99Å; L207-F228 HydrophobicContact CD2-CG 4.05Å; L207-F228 HydrophobicContact CD2-CZ 4.26Å; L211-F228 HydrophobicContact CD1-CD1 4.42Å; L211-F228 HydrophobicContact CD1-CE1 3.84Å; I216-F228 HydrophobicContact CD1-CB 4.41Å; I216-F228 HydrophobicContact CD1-CD1 3.82Å; I216-F228 HydrophobicContact CD1-CE1 4.46Å; I216-F228 HydrophobicContact CD1-CG 4.27Å; I216-F228 HydrophobicContact CG1-CD1 4.39Å; K217-F228 WeakPolarHBondContact O-CA 3.49Å; Q218-F228 HydrophobicContact CB-CD1 4.13Å; Q218-F228 HydrophobicContact CB-CE1 3.87Å; Q218-F228 HydrophobicContact CG-CE1 4.08Å; Q218-F228 HydrophobicContact CG-CZ 4.47Å |
| 229 | V | 91 | Very high | 70.2 | Confident | 37 Ų | 37 | 98.7 Ų | 98.7 | 22% | 0.224 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.6 | 177.5 | 175.7 | 0 | 0 | 0 | 0 | 109.1 | F173 G177 I216 K217 V219 V231 | F173-V229 HydrophobicContact CD2-CG2 4.42Å; F173-V229 HydrophobicContact CE2-CB 4.47Å; F173-V229 HydrophobicContact CE2-CG1 3.9Å; F173-V229 HydrophobicContact CE2-CG2 3.83Å; G177-V229 VanDerWaalsContact CA-CG2 3.45Å; I216-V229 CarbonylContact C-O 3.56Å; I216-V229 VanDerWaalsContact CA-O 3.3Å; I216-V229 WeakPolarHBondContact CA-O 3.36Å; K217-V229 PolarHBondContact N-O 3.48Å; K217-V229 PolarHBondContact O-N 3.14Å; V219-V229 HydrophobicContact CG2-CB 4.18Å; V219-V229 HydrophobicContact CG2-CG2 3.55Å; V229-V231 PolarHBondContact O-N 3.15Å |
| 230 | V | 90.8 | Very high | 67.9 | Low | 27 Ų | 27 | 104.3 Ų | 104.3 | 16% | 0.164 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 122.1 | 170.9 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | T166 I169 K170 I216 Q232 | T166-V230 HydrophobicContact CG2-CG1 4.36Å; T166-V230 HydrophobicContact CG2-CG2 4Å; I169-V230 HydrophobicContact CB-CG2 3.98Å; I169-V230 HydrophobicContact CG2-CG2 3.73Å; K170-V230 HydrophobicContact CG-CG2 4.39Å; I216-V230 HydrophobicContact CG2-CG2 4.34Å; V230-Q232 PolarHBondContact O-N 2.99Å |
| 231 | V | 85.9 | Confident | 65.8 | Low | 36 Ų | 36 | 103 Ų | 103 | 22% | 0.218 | 56% | 0.558 | C | S | . | * | trans | -70.6 | 100.5 | 169.9 | -174.1 | 0 | 0 | 0 | 0 | 107.4 | V215 K217 V229 K233 | V215-V231 WeakPolarHBondContact O-CB 3.36Å; V215-V231 PolarHBondContact O-N 3.1Å; K217-V231 HydrophobicContact CB-CG2 4.07Å; K217-V231 HydrophobicContact CD-CG2 3.75Å; K217-V231 HydrophobicContact CG-CG2 3.53Å; V229-V231 PolarHBondContact O-N 3.15Å; V231-K233 HydrophobicContact CG1-CG 4.34Å; V231-K233 PolarHBondContact O-N 3.3Å | ||
| 232 | Q | 71.6 | Confident | 63.9 | Low | 174 Ų | 174 | 112.2 Ų | 112.2 | 81% | 0.813 | 58% | 0.575 | S | S | * | * | trans | -59.4 | 101.4 | 164 | -73.8 | -179.6 | -30.5 | 0 | 0 | 108.2 | V230 S234 | V230-Q232 PolarHBondContact O-N 2.99Å; Q232-S234 PolarHBondContact O-N 2.84Å | ||
| 233 | K | 53.2 | Low | 62 | Low | 139 Ų | 139 | 109.8 Ų | 109.8 | 60% | 0.604 | 57% | 0.572 | S | S | * | * | trans | -73.6 | 59.7 | 175 | -70.4 | -177 | 178.4 | 177.2 | 0 | 110.7 | G214 V231 | G214-K233 WeakPolarHBondContact O-CE 3.46Å; V231-K233 HydrophobicContact CG1-CG 4.34Å; V231-K233 PolarHBondContact O-N 3.3Å | ||
| 234 | S | 42.6 | Very low | 60.2 | Low | 83 Ų | 83 | 119.4 Ų | 119.4 | 58% | 0.58 | 59% | 0.594 | S | S | * | * | trans | -51.6 | 138.5 | 151.5 | 63.4 | 0 | 0 | 0 | 0 | 107.9 | Q232 K236 | Q232-S234 PolarHBondContact O-N 2.84Å; S234-K236 PolarHBondContact O-N 2.92Å | ||
| 235 | R | 42.2 | Very low | 59 | Low | 254 Ų | 254 | 126.4 Ų | 126.4 | 96% | 0.958 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -69.6 | 75.2 | -170.4 | -62.4 | 179.2 | -176.2 | 170.9 | 0.7 | 111.6 | ||
| 236 | K | 39 | Very low | 57 | Low | 187 Ų | 187 | 130.1 Ų | 130.1 | 81% | 0.813 | 63% | 0.629 | S | S | * | * | trans | -121.1 | 101.3 | 175.6 | -70.1 | -170.2 | 175.7 | -177.1 | 0 | 110 | S234 | S234-K236 PolarHBondContact O-N 2.92Š| ||
| 237 | T | 36.8 | Very low | 55.2 | Low | 118 Ų | 118 | 140.9 Ų | 140.9 | 72% | 0.724 | 67% | 0.665 | S | S | * | * | trans | -65.7 | 153.3 | 170.4 | 44 | 0 | 0 | 0 | 0 | 110.9 | Q239 | T237-Q239 PolarHBondContact O-N 2.78Š| ||
| 238 | P | 40.7 | Very low | 52.8 | Low | 130 Ų | 130 | 145.8 Ų | 145.8 | 84% | 0.844 | 70% | 0.699 | S | S | * | * | trans | -70.5 | 110.3 | 174.2 | 28.8 | -33.1 | 0 | 0 | 0 | 110 | K240 | P238-K240 PolarHBondContact O-N 2.81Š| ||
| 239 | Q | 42.8 | Very low | 50.2 | Low | 190 Ų | 190 | 150.6 Ų | 150.6 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | -75.9 | 112.1 | 175.1 | -76.5 | -156.6 | -15.1 | 0 | 0 | 111.8 | T237 | T237-Q239 PolarHBondContact O-N 2.78Š| ||
| 240 | K | 41.6 | Very low | 47.9 | Very low | 205 Ų | 205 | 153.9 Ų | 153.9 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | trans | -155.6 | 64.8 | 149.7 | -155.2 | -179.2 | -179.9 | -179.3 | 0 | 115 | P238 | P238-K240 PolarHBondContact O-N 2.81Š| ||
| 241 | S | 39.5 | Very low | 45.4 | Very low | 122 Ų | 122 | 158.4 Ų | 158.4 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -155.5 | 116.8 | 148.5 | 49.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 242 | R | 45.8 | Very low | 42.9 | Very low | 250 Ų | 250 | 163.4 Ų | 163.4 | 94% | 0.943 | 82% | 0.817 | S | S | * | * | trans | -94.3 | 96.5 | 175.6 | 180 | -167.5 | 77.3 | 163.9 | 2.3 | 109 | ||||
| 243 | N | 38.8 | Very low | 41.7 | Very low | 143 Ų | 143 | 160.1 Ų | 160.1 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | trans | 174.6 | 102.4 | 135.6 | -174.2 | 17.9 | 0 | 0 | 0 | 112.7 | ||||
| 244 | R | 38.8 | Very low | 41.2 | Very low | 248 Ų | 248 | 161 Ų | 161 | 94% | 0.936 | 82% | 0.817 | S | S | * | * | -157.6 | 120.7 | 126.8 | -132.9 | 171.4 | 179.9 | 156.4 | -0.1 | 110.2 | |||||
| 245 | K | 49.3 | Very low | 41.5 | Very low | 191 Ų | 191 | 162.3 Ų | 162.3 | 83% | 0.83 | 82% | 0.824 | S | S | * | * | trans | -88.4 | 114.5 | 174.7 | -171.6 | -177.1 | -175.2 | -173.5 | 0 | 107.6 | ||||
| 246 | N | 39 | Very low | 42.1 | Very low | 167 Ų | 167 | 159 Ų | 159 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -168 | 157.4 | 142.8 | -95.5 | -1.5 | 0 | 0 | 0 | 109.2 | ||||
| 247 | R | 50 | Low | 43.7 | Very low | 241 Ų | 241 | 154.2 Ų | 154.2 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -141.6 | 163.2 | -164.5 | -178.4 | -177.9 | 178.8 | -159.1 | 0.1 | 108.6 | ||||
| 248 | S | 38.3 | Very low | 46 | Very low | 117 Ų | 117 | 154.2 Ų | 154.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 90.3 | 143.7 | -171.5 | 89 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 249 | S | 37.4 | Very low | 48.2 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | cis | -130.3 | 155.2 | -13.2 | 50.2 | 0 | 0 | 0 | 0 | 109.8 | V251 | S249-V251 PolarHBondContact O-N 3.43Š| ||
| 250 | A | 42.5 | Very low | 50.3 | Low | 107 Ų | 107 | 141.5 Ų | 141.5 | 88% | 0.884 | 73% | 0.725 | S | S | * | * | trans | -93.4 | 90.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 251 | V | 38.6 | Very low | 52.5 | Low | 121 Ų | 121 | 134.1 Ų | 134.1 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | trans | -83.1 | 141.2 | 152.4 | -173.3 | 0 | 0 | 0 | 0 | 106.4 | S249 | S249-V251 PolarHBondContact O-N 3.43Š| ||
| 252 | D | 33.1 | Very low | 54.9 | Low | 142 Ų | 142 | 128.9 Ų | 128.9 | 76% | 0.759 | 66% | 0.658 | S | S | * | * | trans | -60.2 | 125.7 | 172.8 | -156.1 | -30.3 | 0 | 0 | 0 | 108 | E254 | D252-E254 VanDerWaalsContact C-N 3.35Å; D252-E254 PolarHBondContact O-N 2.95Å | ||
| 253 | P | 44.9 | Very low | 57.1 | Low | 104 Ų | 104 | 117.1 Ų | 117.1 | 68% | 0.675 | 61% | 0.614 | S | S | * | * | trans | -67.4 | 94.2 | -176.5 | 26.3 | -36.7 | 0 | 0 | 0 | 111 | ||||
| 254 | E | 42.6 | Very low | 59.6 | Low | 157 Ų | 157 | 110.3 Ų | 110.3 | 73% | 0.734 | 58% | 0.577 | S | S | * | * | trans | -39.1 | 126.7 | 156.2 | -173.6 | -170.1 | -173.7 | 0 | 0 | 107.8 | D252 Q256 | D252-E254 VanDerWaalsContact C-N 3.35Å; D252-E254 PolarHBondContact O-N 2.95Å; E254-Q256 VanDerWaalsContact C-N 3.33Å; E254-Q256 PolarHBondContact O-N 2.68Å | ||
| 255 | P | 49.9 | Very low | 62.1 | Low | 111 Ų | 111 | 100.2 Ų | 100.2 | 72% | 0.721 | 54% | 0.542 | S | S | * | . | trans | -70.1 | 89.2 | -163.4 | 26.9 | -35.9 | 0 | 0 | 0 | 110.8 | V257 | P255-V257 WeakPolarHBondContact O-CA 3.19Å; P255-V257 PolarHBondContact O-N 3.08Å | ||
| 256 | Q | 55.7 | Low | 64.2 | Low | 185 Ų | 185 | 91.1 Ų | 91.1 | 86% | 0.864 | 50% | 0.502 | S | S | * | . | trans | -32.5 | 96.1 | -171.2 | -71.4 | -173.7 | -16.8 | 0 | 0 | 112.2 | E254 K258 | E254-Q256 VanDerWaalsContact C-N 3.33Å; E254-Q256 PolarHBondContact O-N 2.68Å; Q256-K258 PolarHBondContact O-N 2.67Å; Q256-K258 VanDerWaalsContact O-N 3.1Å | ||
| 257 | V | 71.6 | Confident | 66.7 | Low | 86 Ų | 86 | 83.1 Ų | 83.1 | 52% | 0.521 | 46% | 0.46 | S | S | . | . | trans | -67.8 | 116.7 | -169 | -168.2 | 0 | 0 | 0 | 0 | 107.5 | P255 L259 D261 V262 | P255-V257 WeakPolarHBondContact O-CA 3.19Å; P255-V257 PolarHBondContact O-N 3.08Å; V257-L259 PolarHBondContact O-N 3.19Å; V257-D261 HydrophobicContact CG1-CB 4.4Å; V257-V262 HydrophobicContact CB-CG2 4.22Å; V257-V262 HydrophobicContact CG1-CG2 3.62Å | ||
| 258 | K | 85.1 | Confident | 68.7 | Low | 119 Ų | 119 | 71.7 Ų | 71.7 | 52% | 0.517 | 42% | 0.417 | S | S | . | . | trans | -65.6 | 138.5 | -179.1 | -55.4 | -175.3 | -128.2 | 76.8 | 0 | 107.7 | Q256 E260 D261 V262 | Q256-K258 PolarHBondContact O-N 2.67Å; Q256-K258 VanDerWaalsContact O-N 3.1Å; K258-E260 HydrophobicContact CB-CB 4.31Å; K258-E260 PolarHBondContact O-N 3.32Å; K258-D261 WeakPolarHBondContact CB-OD2 3.31Å; K258-D261 IonicContact NZ-OD2 3.98Å; K258-D261 PolarHBondContact NZ-OD2 2.66Å; K258-D261 WeakPolarHBondContact O-CA 3.47Å; K258-D261 WeakPolarHBondContact O-CB 3.18Å; K258-D261 PolarHBondContact O-N 2.79Å; K258-V262 PolarHBondContact O-N 3.08Å | ||
| 259 | L | 86.7 | Confident | 71.1 | Confident | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.084 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.1 | -27.6 | 176.4 | -168.5 | 57.3 | 0 | 0 | 0 | 112.2 | V257 D261 V262 L263 V368 L383 L384 T387 | V257-L259 PolarHBondContact O-N 3.19Å; L259-D261 VanDerWaalsContact C-N 3.29Å; L259-D261 PolarHBondContact O-N 2.66Å; L259-V262 HydrophobicContact CD1-CB 4.33Å; L259-V262 HydrophobicContact CD1-CG1 4.47Å; L259-V262 PolarHBondContact O-N 3.08Å; L259-L263 VanDerWaalsContact O-CG 3.3Å; L259-L263 WeakPolarHBondContact O-CG 3.23Å; L259-L263 PolarHBondContact O-N 2.92Å; L259-L263 VanDerWaalsContact O-N 3.08Å; L259-V368 HydrophobicContact CD1-CG1 4.31Å; L259-V368 HydrophobicContact CD1-CG2 3.85Å; L259-L383 HydrophobicContact CD2-CD2 4.44Å; L259-L383 HydrophobicContact CD2-CG 4.07Å; L259-L384 HydrophobicContact CD2-CB 3.93Å; L259-L384 HydrophobicContact CD2-CD1 4.09Å; L259-T387 HydrophobicContact CB-CG2 4.18Å; L259-T387 HydrophobicContact CG-CG2 4.19Å |
| 260 | E | 87.2 | Confident | 73.6 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.4 | -34.7 | 170.1 | -64.7 | 174.8 | -137.9 | 0 | 0 | 114.4 | K258 T387 K390 W396 | K258-E260 HydrophobicContact CB-CB 4.31Å; K258-E260 PolarHBondContact O-N 3.32Å; E260-T387 HydrophobicContact CB-CG2 4.4Å; E260-T387 HydrophobicContact CG-CG2 3.71Å; E260-K390 HydrophobicContact CG-CD 4.46Å; E260-K390 WeakPolarHBondContact OE1-CD 3.42Å; E260-K390 IonicContact OE1-NZ 3.84Å; E260-K390 PolarHBondContact OE1-NZ 3.01Å; E260-K390 IonicContact OE2-NZ 2.74Å; E260-K390 PolarHBondContact OE2-NZ 3.4Å; E260-W396 HydrophobicContact CB-CZ3 4.43Å |
| 261 | D | 88.1 | Confident | 75.9 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -91.4 | -21.5 | -179 | -59.4 | -53.6 | 0 | 0 | 0 | 111.5 | V257 K258 L259 | V257-D261 HydrophobicContact CG1-CB 4.4Å; K258-D261 WeakPolarHBondContact CB-OD2 3.31Å; K258-D261 IonicContact NZ-OD2 3.98Å; K258-D261 PolarHBondContact NZ-OD2 2.66Å; K258-D261 WeakPolarHBondContact O-CA 3.47Å; K258-D261 WeakPolarHBondContact O-CB 3.18Å; K258-D261 PolarHBondContact O-N 2.79Å; L259-D261 VanDerWaalsContact C-N 3.29Å; L259-D261 PolarHBondContact O-N 2.66Å |
| 262 | V | 89.3 | Confident | 78.1 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -76.9 | -41 | 174.4 | 174.6 | 0 | 0 | 0 | 0 | 112.6 | V257 K258 L259 L265 A266 Y367 H372 | V257-V262 HydrophobicContact CB-CG2 4.22Å; V257-V262 HydrophobicContact CG1-CG2 3.62Å; K258-V262 PolarHBondContact O-N 3.08Å; L259-V262 HydrophobicContact CD1-CB 4.33Å; L259-V262 HydrophobicContact CD1-CG1 4.47Å; L259-V262 PolarHBondContact O-N 3.08Å; V262-L265 WeakPolarHBondContact O-CB 3.27Å; V262-L265 PolarHBondContact O-N 2.86Å; V262-A266 PolarHBondContact O-N 2.97Å; V262-A266 VanDerWaalsContact O-N 3.08Å; V262-Y367 HydrophobicContact CG1-CE1 4.17Å; V262-H372 VanDerWaalsContact CG1-NE2 3.29Å; V262-H372 WeakPolarHBondContact CG1-NE2 3.07Å |
| 263 | L | 91.9 | Very high | 80.7 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -49.7 | -42.3 | -171.7 | -82.1 | 167.5 | 0 | 0 | 0 | 115 | L259 L265 A266 F267 L364 L384 T387 L388 M397 | L259-L263 VanDerWaalsContact O-CG 3.3Å; L259-L263 WeakPolarHBondContact O-CG 3.23Å; L259-L263 PolarHBondContact O-N 2.92Å; L259-L263 VanDerWaalsContact O-N 3.08Å; L263-L265 VanDerWaalsContact C-N 3.3Å; L263-L265 PolarHBondContact O-N 3.36Å; L263-A266 PolarHBondContact O-N 3.02Å; L263-F267 HydrophobicContact CD2-CE2 4.21Å; L263-F267 WeakPolarHBondContact O-CD2 3.36Å; L263-F267 PolarHBondContact O-N 3.25Å; L263-L364 HydrophobicContact CD2-CD2 4.04Å; L263-L384 HydrophobicContact CD2-CD1 4.01Å; L263-T387 HydrophobicContact CD1-CG2 3.47Å; L263-T387 VanDerWaalsContact CD1-CG2 3.47Å; L263-L388 HydrophobicContact CD1-CD2 3.82Å; L263-L388 HydrophobicContact CD2-CD2 3.97Å; L263-M397 HydrophobicContact CD1-SD 4.12Å |
| 264 | P | 92.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -36.8 | 178.8 | -22.2 | 34 | 0 | 0 | 0 | 113.2 | W136 T268 L411 Y415 | W136-P264 HydrophobicContact CB-CG 4.3Å; W136-P264 HydrophobicContact CD2-CB 4Å; W136-P264 HydrophobicContact CD2-CG 3.28Å; W136-P264 HydrophobicContact CE3-CB 3.96Å; W136-P264 HydrophobicContact CE3-CG 3.75Å; W136-P264 HydrophobicContact CG-CB 4.39Å; W136-P264 HydrophobicContact CG-CG 3.54Å; W136-P264 HydrophobicContact CH2-CG 4.24Å; W136-P264 HydrophobicContact CZ2-CG 3.81Å; W136-P264 HydrophobicContact CZ3-CB 4.32Å; W136-P264 HydrophobicContact CZ3-CG 4.21Å; P264-T268 WeakPolarHBondContact O-CB 3.46Å; P264-T268 PolarHBondContact O-N 2.81Å; P264-T268 PolarHBondContact O-OG1 3.21Å; P264-L411 HydrophobicContact CB-CD1 4.3Å; P264-Y415 VanDerWaalsContact C-CE1 3.45Å; P264-Y415 HydrophobicContact CB-CD1 3.46Å; P264-Y415 VanDerWaalsContact CB-CD1 3.46Å; P264-Y415 HydrophobicContact CB-CD2 4.08Å; P264-Y415 HydrophobicContact CB-CE1 3.59Å; P264-Y415 HydrophobicContact CB-CE2 4.18Å; P264-Y415 HydrophobicContact CB-CG 3.72Å; P264-Y415 WeakPolarHBondContact O-CD1 3.3Å |
| 265 | L | 91.9 | Very high | 85.2 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.6 | -43.5 | 175.9 | -176.2 | 59.2 | 0 | 0 | 0 | 110.9 | V262 L263 F267 T268 R269 Y415 V421 L422 | V262-L265 WeakPolarHBondContact O-CB 3.27Å; V262-L265 PolarHBondContact O-N 2.86Å; L263-L265 VanDerWaalsContact C-N 3.3Å; L263-L265 PolarHBondContact O-N 3.36Å; L265-F267 VanDerWaalsContact C-N 3.33Å; L265-F267 PolarHBondContact O-N 2.83Å; L265-T268 WeakPolarHBondContact O-CB 3.35Å; L265-T268 PolarHBondContact O-N 3.12Å; L265-R269 WeakPolarHBondContact O-CG 3.44Å; L265-R269 PolarHBondContact O-N 3.1Å; L265-Y415 HydrophobicContact CB-CE1 4.39Å; L265-V421 HydrophobicContact CD1-CG1 4.35Å; L265-V421 HydrophobicContact CD2-CG1 4.28Å; L265-L422 HydrophobicContact CD1-CD2 4.25Å |
| 266 | A | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56 | -47 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V262 L263 T268 R269 L270 L364 Y367 | V262-A266 PolarHBondContact O-N 2.97Å; V262-A266 VanDerWaalsContact O-N 3.08Å; L263-A266 PolarHBondContact O-N 3.02Å; A266-T268 VanDerWaalsContact C-N 3.33Å; A266-T268 PolarHBondContact O-N 3.36Å; A266-R269 PolarHBondContact O-N 2.98Å; A266-L270 HydrophobicContact CB-CD1 4.38Å; A266-L270 VanDerWaalsContact O-CB 3.26Å; A266-L270 WeakPolarHBondContact O-CB 3.31Å; A266-L270 WeakPolarHBondContact O-CD1 3.3Å; A266-L270 WeakPolarHBondContact O-CG 3.26Å; A266-L270 PolarHBondContact O-N 3.47Å; A266-L364 HydrophobicContact CB-CD2 4.2Å; A266-Y367 HydrophobicContact CB-CD1 3.61Å; A266-Y367 HydrophobicContact CB-CD2 4.49Å; A266-Y367 HydrophobicContact CB-CE1 3.51Å; A266-Y367 HydrophobicContact CB-CE2 4.38Å; A266-Y367 HydrophobicContact CB-CG 4.14Å |
| 267 | F | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.1 | -41.3 | 173.6 | -90.1 | -114.7 | 0 | 0 | 0 | 112.5 | L263 L265 R269 L270 C271 K357 C359 L364 M397 F409 L411 | L263-F267 HydrophobicContact CD2-CE2 4.21Å; L263-F267 WeakPolarHBondContact O-CD2 3.36Å; L263-F267 PolarHBondContact O-N 3.25Å; L265-F267 VanDerWaalsContact C-N 3.33Å; L265-F267 PolarHBondContact O-N 2.83Å; F267-R269 VanDerWaalsContact C-N 3.34Å; F267-R269 PolarHBondContact O-N 3.42Å; F267-L270 PolarHBondContact O-N 3.04Å; F267-C271 WeakPolarHBondContact O-CB 3.41Å; F267-C271 PolarHBondContact O-N 2.81Å; F267-K357 WeakPolarHBondContact CD1-O 3.36Å; F267-C359 HydrophobicContact CD1-CB 3.72Å; F267-C359 HydrophobicContact CD2-CB 4.11Å; F267-C359 HydrophobicContact CE1-CB 3.65Å; F267-C359 HydrophobicContact CE2-CB 4.05Å; F267-C359 HydrophobicContact CG-CB 3.97Å; F267-C359 HydrophobicContact CZ-CB 3.8Å; F267-L364 HydrophobicContact CD2-CD2 3.72Å; F267-L364 HydrophobicContact CE2-CD1 3.57Å; F267-L364 HydrophobicContact CE2-CD2 3.54Å; F267-L364 HydrophobicContact CE2-CG 4.14Å; F267-L364 HydrophobicContact CZ-CD1 3.95Å; F267-M397 HydrophobicContact CD2-CE 4.39Å; F267-M397 HydrophobicContact CE1-CE 4.07Å; F267-M397 HydrophobicContact CE2-CE 3.38Å; F267-M397 HydrophobicContact CZ-CE 3.18Å; F267-F409 HydrophobicContact CE1-CB 4.26Å; F267-F409 WeakPolarHBondContact CE1-O 3.5Å; F267-F409 HydrophobicContact CZ-CB 3.77Å; F267-L411 HydrophobicContact CB-CD1 4.01Å; F267-L411 HydrophobicContact CB-CD2 4.29Å; F267-L411 HydrophobicContact CB-CG 4.16Å; F267-L411 HydrophobicContact CD1-CD1 4.45Å; F267-L411 HydrophobicContact CD1-CD2 3.73Å; F267-L411 HydrophobicContact CD1-CG 3.69Å; F267-L411 HydrophobicContact CD2-CD2 4.19Å; F267-L411 HydrophobicContact CE1-CD2 4.04Å; F267-L411 HydrophobicContact CE1-CG 4.29Å; F267-L411 HydrophobicContact CE2-CD2 4.47Å; F267-L411 HydrophobicContact CG-CD1 4.38Å; F267-L411 HydrophobicContact CG-CD2 3.81Å; F267-L411 HydrophobicContact CG-CG 4Å; F267-L411 HydrophobicContact CZ-CD2 4.41Å |
| 268 | T | 91.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.2 | -37.7 | 179 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | P264 L265 A266 K274 A351 K357 Y415 P417 L422 | P264-T268 WeakPolarHBondContact O-CB 3.46Å; P264-T268 PolarHBondContact O-N 2.81Å; P264-T268 PolarHBondContact O-OG1 3.21Å; L265-T268 WeakPolarHBondContact O-CB 3.35Å; L265-T268 PolarHBondContact O-N 3.12Å; A266-T268 VanDerWaalsContact C-N 3.33Å; A266-T268 PolarHBondContact O-N 3.36Å; T268-K274 PolarHBondContact O-NZ 3.08Å; T268-A351 WeakPolarHBondContact CG2-O 3.3Å; T268-K357 VanDerWaalsContact OG1-CE 3.24Å; T268-K357 WeakPolarHBondContact OG1-CE 3.48Å; T268-Y415 WeakPolarHBondContact OG1-CD1 3.47Å; T268-P417 HydrophobicContact CG2-CG 3.98Å; T268-L422 HydrophobicContact CG2-CD2 3.66Å |
| 269 | R | 89.5 | Confident | 90.4 | Very high | 102 Ų | 102 | 34 Ų | 34 | 39% | 0.385 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -71.1 | -43.2 | 174.1 | -65.6 | -49 | -148.3 | 119.2 | 9.4 | 112.7 | L265 A266 F267 K274 Y367 L422 | L265-R269 WeakPolarHBondContact O-CG 3.44Å; L265-R269 PolarHBondContact O-N 3.1Å; A266-R269 PolarHBondContact O-N 2.98Å; F267-R269 VanDerWaalsContact C-N 3.34Å; F267-R269 PolarHBondContact O-N 3.42Å; R269-K274 PolarHBondContact O-NZ 3.32Å; R269-Y367 HydrophobicContact CB-CE2 4.13Å; R269-Y367 HydrophobicContact CG-CE2 4.3Å; R269-L422 PolarHBondContact NE-O 2.91Å; R269-L422 VanDerWaalsContact NE-O 3.08Å; R269-L422 PolarHBondContact NH2-O 2.9Å |
| 270 | L | 89.6 | Confident | 90.7 | Very high | 46 Ų | 46 | 35 Ų | 35 | 24% | 0.241 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -93.2 | -13.5 | -170.8 | -61 | 167.8 | 0 | 0 | 0 | 115.5 | A266 F267 E272 C359 A363 L364 Y367 | A266-L270 HydrophobicContact CB-CD1 4.38Å; A266-L270 VanDerWaalsContact O-CB 3.26Å; A266-L270 WeakPolarHBondContact O-CB 3.31Å; A266-L270 WeakPolarHBondContact O-CD1 3.3Å; A266-L270 WeakPolarHBondContact O-CG 3.26Å; A266-L270 PolarHBondContact O-N 3.47Å; F267-L270 PolarHBondContact O-N 3.04Å; L270-E272 PolarHBondContact O-N 3.15Å; L270-C359 VanDerWaalsContact CB-SG 3.53Å; L270-A363 HydrophobicContact CD1-CB 4.19Å; L270-A363 HydrophobicContact CD2-CB 4.34Å; L270-L364 HydrophobicContact CD1-CD2 3.94Å; L270-Y367 HydrophobicContact CD1-CD2 4.09Å; L270-Y367 HydrophobicContact CD1-CG 3.97Å; L270-Y367 HydrophobicContact CD2-CD2 4.09Å; L270-Y367 HydrophobicContact CG-CD2 4.05Å; L270-Y367 HydrophobicContact CG-CG 4.44Å |
| 271 | C | 89.8 | Confident | 91 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.027 | 17% | 0.174 | C | C | . | . | trans | -67.3 | 131.2 | 179.7 | -177 | 0 | 0 | 0 | 0 | 110.7 | F267 K274 N354 P356 T358 | F267-C271 WeakPolarHBondContact O-CB 3.41Å; F267-C271 PolarHBondContact O-N 2.81Å; C271-K274 WeakPolarHBondContact O-CG 3.36Å; C271-K274 PolarHBondContact O-NZ 2.96Å; C271-N354 PolarHBondContact SG-ND2 3.18Å; C271-N354 VanDerWaalsContact SG-ND2 3.37Å; C271-P356 PolarHBondContact SG-O 3.21Å; C271-T358 WeakPolarHBondContact CA-O 3.21Å; C271-T358 VanDerWaalsContact CB-O 3.26Å; C271-T358 WeakPolarHBondContact CB-O 3.4Å; C271-T358 PolarHBondContact SG-N 3.19Å; C271-T358 VanDerWaalsContact SG-N 3.38Å; C271-T358 PolarHBondContact SG-O 3.13Å; C271-T358 VanDerWaalsContact SG-O 3.38Å | ||
| 272 | E | 86.5 | Confident | 91.3 | Very high | 110 Ų | 110 | 34.8 Ų | 34.8 | 51% | 0.514 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -137.5 | 138 | 178.1 | -57.4 | -171.6 | 151.2 | 0 | 0 | 108.1 | L270 K330 | L270-E272 PolarHBondContact O-N 3.15Å; E272-K330 WeakPolarHBondContact OE1-CE 3.34Å; E272-K330 IonicContact OE1-NZ 3.67Å; E272-K330 PolarHBondContact OE1-NZ 3.19Å; E272-K330 IonicContact OE2-NZ 3.68Å; E272-K330 PolarHBondContact OE2-NZ 3.24Å |
| 273 | P | 87.6 | Confident | 91.5 | Very high | 68 Ų | 68 | 39.8 Ų | 39.8 | 44% | 0.442 | 20% | 0.196 | S | C | . | . | S | Bend | cis | -64.7 | 172.9 | -2.3 | 30.5 | -37.1 | 0 | 0 | 0 | 113.2 | E275 Q327 N354 | P273-E275 HydrophobicContact CB-CG 4.27Å; P273-E275 WeakPolarHBondContact CB-OE1 3.23Å; P273-E275 HydrophobicContact CG-CG 4.48Å; P273-E275 WeakPolarHBondContact CG-OE1 3.4Å; P273-Q327 HydrophobicContact CB-CG 4.31Å; P273-Q327 VanDerWaalsContact CB-NE2 3.34Å; P273-N354 PolarHBondContact O-ND2 3.33Å |
| 274 | K | 90.2 | Very high | 91.6 | Very high | 41 Ų | 41 | 39.7 Ų | 39.7 | 18% | 0.178 | 20% | 0.196 | C | C | . | . | trans | -116.1 | 98.7 | 176.2 | -68.4 | -166 | -169.4 | -54.7 | 0 | 109.5 | T268 R269 C271 Q327 L328 I350 | T268-K274 PolarHBondContact O-NZ 3.08Å; R269-K274 PolarHBondContact O-NZ 3.32Å; C271-K274 WeakPolarHBondContact O-CG 3.36Å; C271-K274 PolarHBondContact O-NZ 2.96Å; K274-Q327 WeakPolarHBondContact O-CA 3.21Å; K274-L328 HydrophobicContact CB-CB 4.2Å; K274-L328 HydrophobicContact CD-CD2 4.3Å; K274-L328 PolarHBondContact O-N 2.9Å; K274-I350 HydrophobicContact CB-CG2 4.22Å; K274-I350 WeakPolarHBondContact O-CG2 3.3Å | ||
| 275 | E | 91.4 | Very high | 91.7 | Very high | 51 Ų | 51 | 39.7 Ų | 39.7 | 24% | 0.238 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 143.5 | -171 | -71.4 | 170 | -151.6 | 0 | 0 | 111.1 | P273 I317 T325 F326 Q327 N354 | P273-E275 HydrophobicContact CB-CG 4.27Å; P273-E275 WeakPolarHBondContact CB-OE1 3.23Å; P273-E275 HydrophobicContact CG-CG 4.48Å; P273-E275 WeakPolarHBondContact CG-OE1 3.4Å; E275-I317 VanDerWaalsContact CD-CD1 3.4Å; E275-I317 HydrophobicContact CG-CD1 4.04Å; E275-I317 VanDerWaalsContact OE1-CD1 3.26Å; E275-I317 WeakPolarHBondContact OE1-CD1 3.4Å; E275-T325 HydrophobicContact CB-CG2 4.24Å; E275-F326 WeakPolarHBondContact CA-O 3.17Å; E275-Q327 HydrophobicContact CG-CB 3.73Å; E275-Q327 HydrophobicContact CG-CG 3.69Å; E275-Q327 PolarHBondContact OE1-NE2 3.25Å; E275-N354 PolarHBondContact N-OD1 3.32Å; E275-N354 VanDerWaalsContact O-CA 3.26Å; E275-N354 WeakPolarHBondContact O-CA 3.25Å; E275-N354 PolarHBondContact O-OD1 3.14Å |
| 276 | A | 92.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 145.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I281 F326 I350 M353 | A276-I281 HydrophobicContact CB-CD1 4.1Å; A276-I281 HydrophobicContact CB-CG1 3.72Å; A276-F326 PolarHBondContact N-O 2.75Å; A276-F326 PolarHBondContact O-N 3.37Å; A276-I350 HydrophobicContact CB-CB 4.42Å; A276-I350 HydrophobicContact CB-CG1 4.12Å; A276-M353 HydrophobicContact CB-CB 4.24Å |
| 277 | S | 92.9 | Very high | 91.8 | Very high | 31 Ų | 31 | 45.3 Ų | 45.3 | 22% | 0.217 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 151 | 172.2 | 63.2 | 0 | 0 | 0 | 0 | 111.6 | S279 L280 I281 G324 | S277-S279 PolarHBondContact O-N 2.57Å; S277-S279 PolarHBondContact OG-OG 3.46Å; S277-L280 PolarHBondContact O-N 2.92Å; S277-L280 WeakPolarHBondContact OG-CG 3.33Å; S277-I281 WeakPolarHBondContact O-CG1 3.5Å; S277-I281 PolarHBondContact O-N 3.47Å; S277-G324 CarbonylContact C-O 3.57Å; S277-G324 VanDerWaalsContact CA-O 3.25Å; S277-G324 WeakPolarHBondContact CA-O 3.41Å |
| 278 | Y | 93.1 | Very high | 91.7 | Very high | 29 Ų | 29 | 48.6 Ų | 48.6 | 11% | 0.114 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -47.6 | -37.5 | 178.3 | 175.4 | -93.6 | 0 | 0 | 0 | 113.2 | I281 R282 P298 L301 K302 L305 G324 | Y278-I281 PolarHBondContact O-N 3.15Å; Y278-R282 VanDerWaalsContact O-CB 3.32Å; Y278-R282 WeakPolarHBondContact O-CB 3.34Å; Y278-R282 PolarHBondContact O-N 3.11Å; Y278-P298 WeakPolarHBondContact OH-CB 3.31Å; Y278-L301 HydrophobicContact CD2-CD2 4.19Å; Y278-L301 HydrophobicContact CD2-CG 4.44Å; Y278-L301 HydrophobicContact CE2-CD2 3.65Å; Y278-L301 HydrophobicContact CE2-CG 3.82Å; Y278-K302 HydrophobicContact CE2-CG 3.62Å; Y278-L305 HydrophobicContact CD2-CD1 3.63Å; Y278-L305 HydrophobicContact CE2-CD1 4.14Å; Y278-G324 PolarHBondContact N-O 3.18Å |
| 279 | S | 92.6 | Very high | 91.7 | Very high | 75 Ų | 75 | 50.3 Ų | 50.3 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.2 | -33.7 | -179.8 | 61.2 | 0 | 0 | 0 | 0 | 113.2 | S277 K283 | S277-S279 PolarHBondContact O-N 2.57Å; S277-S279 PolarHBondContact OG-OG 3.46Å; S279-K283 WeakPolarHBondContact O-CB 3.43Å; S279-K283 PolarHBondContact O-N 2.94Å |
| 280 | L | 92.3 | Very high | 91.7 | Very high | 36 Ų | 36 | 49.8 Ų | 49.8 | 19% | 0.188 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -74.5 | -41.2 | 172.3 | -62.1 | 178.9 | 0 | 0 | 0 | 111 | S277 K283 Y284 M353 | S277-L280 PolarHBondContact O-N 2.92Å; S277-L280 WeakPolarHBondContact OG-CG 3.33Å; L280-K283 PolarHBondContact O-N 3.27Å; L280-Y284 PolarHBondContact O-N 3.47Å; L280-M353 HydrophobicContact CB-CB 3.95Å; L280-M353 HydrophobicContact CB-CE 4.06Å; L280-M353 HydrophobicContact CB-CG 4.22Å; L280-M353 HydrophobicContact CD1-CB 4.48Å; L280-M353 HydrophobicContact CD2-CE 3.83Å; L280-M353 HydrophobicContact CG-CE 4.4Å |
| 281 | I | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.9 | -51.9 | 175.5 | -62.9 | 170.1 | 0 | 0 | 0 | 110.3 | A276 S277 Y278 K283 Y284 V285 L301 L305 F326 I346 A349 I350 | A276-I281 HydrophobicContact CB-CD1 4.1Å; A276-I281 HydrophobicContact CB-CG1 3.72Å; S277-I281 WeakPolarHBondContact O-CG1 3.5Å; S277-I281 PolarHBondContact O-N 3.47Å; Y278-I281 PolarHBondContact O-N 3.15Å; I281-K283 VanDerWaalsContact C-N 3.32Å; I281-K283 PolarHBondContact O-N 3Å; I281-Y284 PolarHBondContact O-N 3.33Å; I281-V285 HydrophobicContact CG2-CG2 4.24Å; I281-V285 VanDerWaalsContact O-CG2 3.31Å; I281-V285 WeakPolarHBondContact O-CG2 3.11Å; I281-V285 PolarHBondContact O-N 3.21Å; I281-L301 HydrophobicContact CG2-CD1 3.78Å; I281-L301 HydrophobicContact CG2-CD2 4.16Å; I281-L305 HydrophobicContact CD1-CD2 4.2Å; I281-F326 HydrophobicContact CD1-CD2 4.17Å; I281-I346 HydrophobicContact CG2-CG1 4.39Å; I281-A349 HydrophobicContact CB-CB 4.31Å; I281-A349 HydrophobicContact CG1-CB 4.34Å; I281-A349 HydrophobicContact CG2-CB 3.97Å; I281-I350 HydrophobicContact CD1-CD1 4.27Å; I281-I350 HydrophobicContact CD1-CG1 3.81Å; I281-I350 HydrophobicContact CG1-CG1 4.17Å |
| 282 | R | 93.7 | Very high | 91.6 | Very high | 82 Ų | 82 | 58.8 Ų | 58.8 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55 | -45.7 | 176.4 | -177.8 | 175.5 | -175.7 | -174.1 | 8.3 | 111.9 | Y278 V285 S286 V294 D295 L301 | Y278-R282 VanDerWaalsContact O-CB 3.32Å; Y278-R282 WeakPolarHBondContact O-CB 3.34Å; Y278-R282 PolarHBondContact O-N 3.11Å; R282-V285 PolarHBondContact O-N 3.48Å; R282-S286 WeakPolarHBondContact O-CB 3.25Å; R282-S286 PolarHBondContact O-N 2.79Å; R282-V294 HydrophobicContact CG-CG1 4.07Å; R282-D295 IonicContact NE-OD1 3.85Å; R282-D295 PolarHBondContact NH2-O 3.18Å; R282-L301 HydrophobicContact CB-CD2 3.85Å; R282-L301 HydrophobicContact CG-CD2 4.47Å |
| 283 | K | 93.4 | Very high | 91.6 | Very high | 116 Ų | 116 | 61.2 Ų | 61.2 | 50% | 0.504 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 179.6 | -173.8 | -171.9 | -60.3 | 172.7 | 0 | 112.2 | S279 L280 I281 Q287 | S279-K283 WeakPolarHBondContact O-CB 3.43Å; S279-K283 PolarHBondContact O-N 2.94Å; L280-K283 PolarHBondContact O-N 3.27Å; I281-K283 VanDerWaalsContact C-N 3.32Å; I281-K283 PolarHBondContact O-N 3Å; K283-Q287 WeakPolarHBondContact O-CB 3.21Å; K283-Q287 PolarHBondContact O-N 2.93Å |
| 284 | Y | 94.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 178.7 | -171.2 | -89.2 | 0 | 0 | 0 | 112.3 | L280 I281 Q287 Y288 Y289 A349 A352 M353 P417 P419 | L280-Y284 PolarHBondContact O-N 3.47Å; I281-Y284 PolarHBondContact O-N 3.33Å; Y284-Q287 PolarHBondContact O-N 2.86Å; Y284-Y288 HydrophobicContact CD1-CD2 4.05Å; Y284-Y288 AromaticContact CD2-CD2 3.61Å; Y284-Y288 HydrophobicContact CD2-CD2 3.61Å; Y284-Y288 AromaticContact CD2-CE2 3.64Å; Y284-Y288 HydrophobicContact CD2-CE2 3.64Å; Y284-Y288 AromaticContact CE1-CD2 3.9Å; Y284-Y288 HydrophobicContact CE1-CD2 3.9Å; Y284-Y288 AromaticContact CE2-CD2 3.41Å; Y284-Y288 HydrophobicContact CE2-CD2 3.41Å; Y284-Y288 VanDerWaalsContact CE2-CD2 3.41Å; Y284-Y288 AromaticContact CE2-CE2 3.36Å; Y284-Y288 HydrophobicContact CE2-CE2 3.36Å; Y284-Y288 AromaticContact CG-CD2 3.94Å; Y284-Y288 HydrophobicContact CG-CD2 3.94Å; Y284-Y288 HydrophobicContact CG-CE2 4.41Å; Y284-Y288 AromaticContact CZ-CD2 3.59Å; Y284-Y288 AromaticContact CZ-CE2 3.95Å; Y284-Y288 PolarHBondContact O-N 3.44Å; Y284-Y289 HydrophobicContact CE1-CE2 4.17Å; Y284-A349 VanDerWaalsContact CD1-CA 3.44Å; Y284-A349 HydrophobicContact CD1-CB 3.57Å; Y284-A349 HydrophobicContact CE1-CB 4.4Å; Y284-A349 HydrophobicContact CG-CB 3.92Å; Y284-A352 HydrophobicContact CD2-CB 3.74Å; Y284-A352 HydrophobicContact CE1-CB 4.44Å; Y284-A352 HydrophobicContact CE2-CB 3.16Å; Y284-M353 HydrophobicContact CD2-CG 4.04Å; Y284-M353 HydrophobicContact CD2-SD 3.68Å; Y284-M353 HydrophobicContact CG-CG 4.19Å; Y284-M353 HydrophobicContact CG-SD 4.29Å; Y284-P417 VanDerWaalsContact CE2-O 3.26Å; Y284-P417 WeakPolarHBondContact CE2-O 3.43Å; Y284-P417 PolarHBondContact OH-O 3.32Å; Y284-P419 HydrophobicContact CE1-CG 4.02Å; Y284-P419 VanDerWaalsContact OH-CD 3.27Å; Y284-P419 WeakPolarHBondContact OH-CD 3.29Å |
| 285 | V | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.2 | -37.8 | -179.9 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | I281 R282 Y289 L292 V294 M342 A345 A349 | I281-V285 HydrophobicContact CG2-CG2 4.24Å; I281-V285 VanDerWaalsContact O-CG2 3.31Å; I281-V285 WeakPolarHBondContact O-CG2 3.11Å; I281-V285 PolarHBondContact O-N 3.21Å; R282-V285 PolarHBondContact O-N 3.48Å; V285-Y289 CarbonylContact O-C 3.59Å; V285-Y289 VanDerWaalsContact O-C 3.29Å; V285-Y289 VanDerWaalsContact O-CA 3.28Å; V285-Y289 WeakPolarHBondContact O-CA 3.18Å; V285-Y289 WeakPolarHBondContact O-CB 3.24Å; V285-Y289 PolarHBondContact O-N 2.99Å; V285-L292 HydrophobicContact CG1-CB 4.44Å; V285-L292 HydrophobicContact CG1-CD1 3.75Å; V285-V294 HydrophobicContact CG1-CB 4.5Å; V285-V294 HydrophobicContact CG1-CG2 3.63Å; V285-M342 HydrophobicContact CG1-CE 4.17Å; V285-A345 HydrophobicContact CG1-CB 4.18Å; V285-A345 HydrophobicContact CG2-CB 4.12Å; V285-A349 HydrophobicContact CG2-CB 4.1Å |
| 286 | S | 93.4 | Very high | 91.4 | Very high | 39 Ų | 39 | 63.7 Ų | 63.7 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.9 | -53.7 | 168.3 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | R282 D295 | R282-S286 WeakPolarHBondContact O-CB 3.25Å; R282-S286 PolarHBondContact O-N 2.79Å; S286-D295 WeakPolarHBondContact CB-OD2 3.46Å; S286-D295 PolarHBondContact OG-OD1 2.94Å; S286-D295 PolarHBondContact OG-OD2 2.84Å |
| 287 | Q | 92.1 | Very high | 91.2 | Very high | 115 Ų | 115 | 69.8 Ų | 69.8 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | -173.4 | -178 | 177.3 | -16.4 | 0 | 0 | 113.8 | K283 Y284 | K283-Q287 WeakPolarHBondContact O-CB 3.21Å; K283-Q287 PolarHBondContact O-N 2.93Å; Y284-Q287 PolarHBondContact O-N 2.86Å |
| 288 | Y | 92.1 | Very high | 91 | Very high | 69 Ų | 69 | 70 Ų | 70 | 27% | 0.271 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -107.7 | -17 | -171.9 | -65.7 | -69.4 | 0 | 0 | 0 | 114.8 | Y284 Y416 P419 | Y284-Y288 HydrophobicContact CD1-CD2 4.05Å; Y284-Y288 AromaticContact CD2-CD2 3.61Å; Y284-Y288 HydrophobicContact CD2-CD2 3.61Å; Y284-Y288 AromaticContact CD2-CE2 3.64Å; Y284-Y288 HydrophobicContact CD2-CE2 3.64Å; Y284-Y288 AromaticContact CE1-CD2 3.9Å; Y284-Y288 HydrophobicContact CE1-CD2 3.9Å; Y284-Y288 AromaticContact CE2-CD2 3.41Å; Y284-Y288 HydrophobicContact CE2-CD2 3.41Å; Y284-Y288 VanDerWaalsContact CE2-CD2 3.41Å; Y284-Y288 AromaticContact CE2-CE2 3.36Å; Y284-Y288 HydrophobicContact CE2-CE2 3.36Å; Y284-Y288 AromaticContact CG-CD2 3.94Å; Y284-Y288 HydrophobicContact CG-CD2 3.94Å; Y284-Y288 HydrophobicContact CG-CE2 4.41Å; Y284-Y288 AromaticContact CZ-CD2 3.59Å; Y284-Y288 AromaticContact CZ-CE2 3.95Å; Y284-Y288 PolarHBondContact O-N 3.44Å; Y288-Y416 PolarHBondContact OH-O 3.11Å; Y288-P419 HydrophobicContact CG-CG 4.18Å |
| 289 | Y | 91.8 | Very high | 90.8 | Very high | 36 Ų | 36 | 74 Ų | 74 | 14% | 0.141 | 35% | 0.351 | C | S | . | . | trans | -127.6 | 56.1 | -179.7 | -60.4 | -90.4 | 0 | 0 | 0 | 112.3 | Y284 V285 K291 L292 Y344 A345 S348 P419 | Y284-Y289 HydrophobicContact CE1-CE2 4.17Å; V285-Y289 CarbonylContact O-C 3.59Å; V285-Y289 VanDerWaalsContact O-C 3.29Å; V285-Y289 VanDerWaalsContact O-CA 3.28Å; V285-Y289 WeakPolarHBondContact O-CA 3.18Å; V285-Y289 WeakPolarHBondContact O-CB 3.24Å; V285-Y289 PolarHBondContact O-N 2.99Å; Y289-K291 PolarHBondContact O-N 2.81Å; Y289-L292 HydrophobicContact CG-CD1 4.28Å; Y289-L292 WeakPolarHBondContact O-CB 3.37Å; Y289-L292 PolarHBondContact O-N 3.45Å; Y289-Y344 HydrophobicContact CE1-CD1 4.32Å; Y289-Y344 VanDerWaalsContact OH-CD1 3.31Å; Y289-Y344 WeakPolarHBondContact OH-CD1 3.48Å; Y289-Y344 WeakPolarHBondContact OH-CE1 2.74Å; Y289-A345 HydrophobicContact CD1-CB 4.05Å; Y289-A345 HydrophobicContact CD2-CB 3.61Å; Y289-A345 HydrophobicContact CE1-CB 4.07Å; Y289-A345 HydrophobicContact CE2-CB 3.62Å; Y289-A345 HydrophobicContact CG-CB 3.81Å; Y289-S348 PolarHBondContact OH-OG 2.68Å; Y289-P419 HydrophobicContact CD2-CG 4.46Å; Y289-P419 HydrophobicContact CE2-CB 4.36Å; Y289-P419 HydrophobicContact CE2-CG 3.56Å; Y289-P419 WeakPolarHBondContact OH-CB 3.34Å | ||
| 290 | P | 89.3 | Confident | 90.7 | Very high | 91 Ų | 91 | 73.8 Ų | 73.8 | 59% | 0.591 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -57.8 | -23.5 | -178.5 | 24.3 | -35.3 | 0 | 0 | 0 | 113.4 | L292 R293 | P290-L292 PolarHBondContact O-N 3.23Å; P290-R293 PolarHBondContact O-N 2.85Å; P290-R293 VanDerWaalsContact O-N 3.08Å |
| 291 | K | 88.6 | Confident | 90.7 | Very high | 205 Ų | 205 | 72.1 Ų | 72.1 | 89% | 0.891 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -55 | -31.1 | 171.9 | -64.4 | -173.4 | 178.5 | -175.3 | 0 | 113.3 | Y289 R293 | Y289-K291 PolarHBondContact O-N 2.81Å; K291-R293 VanDerWaalsContact C-N 3.33Å |
| 292 | L | 88.1 | Confident | 90.7 | Very high | 34 Ų | 34 | 75.4 Ų | 75.4 | 18% | 0.178 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -78.8 | -13.7 | -179.8 | -64.2 | 173.7 | 0 | 0 | 0 | 113.3 | V285 Y289 P290 V294 L341 M342 A345 | V285-L292 HydrophobicContact CG1-CB 4.44Å; V285-L292 HydrophobicContact CG1-CD1 3.75Å; Y289-L292 HydrophobicContact CG-CD1 4.28Å; Y289-L292 WeakPolarHBondContact O-CB 3.37Å; Y289-L292 PolarHBondContact O-N 3.45Å; P290-L292 PolarHBondContact O-N 3.23Å; L292-V294 HydrophobicContact CB-CG2 3.89Å; L292-V294 PolarHBondContact O-N 3.22Å; L292-V294 VanDerWaalsContact O-N 3.15Å; L292-L341 HydrophobicContact CD2-CB 4.43Å; L292-M342 HydrophobicContact CD1-CE 4.26Å; L292-M342 HydrophobicContact CD1-SD 3.93Å; L292-M342 HydrophobicContact CD2-SD 4.28Å; L292-M342 HydrophobicContact CG-SD 4.49Å; L292-A345 HydrophobicContact CD1-CB 3.63Å |
| 293 | R | 86.9 | Confident | 90.7 | Very high | 162 Ų | 162 | 75.8 Ų | 75.8 | 61% | 0.611 | 36% | 0.358 | S | S | * | . | trans | 50.4 | 35.5 | 176.6 | -60 | -173.9 | 178.1 | -168.7 | 1 | 114.8 | P290 K291 D295 I296 R297 | P290-R293 PolarHBondContact O-N 2.85Å; P290-R293 VanDerWaalsContact O-N 3.08Å; K291-R293 VanDerWaalsContact C-N 3.33Å; R293-D295 PolarHBondContact O-N 3.41Å; R293-I296 HydrophobicContact CB-CD1 4.48Å; R293-I296 PolarHBondContact O-N 2.98Å; R293-I296 VanDerWaalsContact O-N 3.14Å; R293-R297 PolarHBondContact O-N 2.96Å | ||
| 294 | V | 88.9 | Confident | 90.6 | Very high | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -25.6 | -174.5 | -178.3 | 0 | 0 | 0 | 0 | 113 | R282 V285 L292 R297 P298 L301 M342 | R282-V294 HydrophobicContact CG-CG1 4.07Å; V285-V294 HydrophobicContact CG1-CB 4.5Å; V285-V294 HydrophobicContact CG1-CG2 3.63Å; L292-V294 HydrophobicContact CB-CG2 3.89Å; L292-V294 PolarHBondContact O-N 3.22Å; L292-V294 VanDerWaalsContact O-N 3.15Å; V294-R297 CarbonylContact O-C 3.55Å; V294-P298 VanDerWaalsContact O-CA 3.24Å; V294-P298 WeakPolarHBondContact O-CA 3.18Å; V294-L301 HydrophobicContact CG1-CB 3.57Å; V294-L301 HydrophobicContact CG1-CD2 3.73Å; V294-L301 HydrophobicContact CG1-CG 4.27Å; V294-L301 HydrophobicContact CG2-CB 4.43Å; V294-M342 HydrophobicContact CG2-CE 4.34Å |
| 295 | D | 86.5 | Confident | 90.5 | Very high | 77 Ų | 77 | 70.9 Ų | 70.9 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -40.4 | 176.8 | -58.4 | -56.3 | 0 | 0 | 0 | 112.7 | R282 S286 R293 | R282-D295 IonicContact NE-OD1 3.85Å; R282-D295 PolarHBondContact NH2-O 3.18Å; S286-D295 WeakPolarHBondContact CB-OD2 3.46Å; S286-D295 PolarHBondContact OG-OD1 2.94Å; S286-D295 PolarHBondContact OG-OD2 2.84Å; R293-D295 PolarHBondContact O-N 3.41Å |
| 296 | I | 89.5 | Confident | 90.5 | Very high | 132 Ų | 132 | 73.7 Ų | 73.7 | 68% | 0.677 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -40.5 | 177 | -54.3 | 173.5 | 0 | 0 | 0 | 110.3 | R293 P298 | R293-I296 HydrophobicContact CB-CD1 4.48Å; R293-I296 PolarHBondContact O-N 2.98Å; R293-I296 VanDerWaalsContact O-N 3.14Å; I296-P298 WeakPolarHBondContact O-CD 3.31Å |
| 297 | R | 87.8 | Confident | 90.4 | Very high | 133 Ų | 133 | 79.3 Ų | 79.3 | 50% | 0.502 | 37% | 0.368 | S | S | . | . | trans | -124.7 | 71.7 | -177.4 | -57 | -170.2 | -59.9 | 177.5 | 1.9 | 112 | R293 V294 Q299 L300 | R293-R297 PolarHBondContact O-N 2.96Å; V294-R297 CarbonylContact O-C 3.55Å; R297-Q299 PolarHBondContact O-N 2.74Å; R297-Q299 VanDerWaalsContact O-N 3.13Å; R297-L300 HydrophobicContact CB-CD1 3.73Å; R297-L300 PolarHBondContact O-N 3.24Å; R297-L300 VanDerWaalsContact O-N 3.16Å | ||
| 298 | P | 88.9 | Confident | 90.4 | Very high | 35 Ų | 35 | 73.9 Ų | 73.9 | 23% | 0.227 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.4 | -22.7 | 179.9 | 23.6 | -33.8 | 0 | 0 | 0 | 113.3 | Y278 V294 I296 L300 L301 K302 | Y278-P298 WeakPolarHBondContact OH-CB 3.31Å; V294-P298 VanDerWaalsContact O-CA 3.24Å; V294-P298 WeakPolarHBondContact O-CA 3.18Å; I296-P298 WeakPolarHBondContact O-CD 3.31Å; P298-L300 PolarHBondContact O-N 2.82Å; P298-L301 PolarHBondContact O-N 2.95Å; P298-K302 PolarHBondContact O-N 3.38Å; P298-K302 VanDerWaalsContact O-N 3.07Å |
| 299 | Q | 89.8 | Confident | 90.4 | Very high | 112 Ų | 112 | 72.4 Ų | 72.4 | 52% | 0.523 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.4 | -28.1 | 177.1 | -52.7 | -64.5 | 33.1 | 0 | 0 | 113.1 | R297 K302 N303 | R297-Q299 PolarHBondContact O-N 2.74Å; R297-Q299 VanDerWaalsContact O-N 3.13Å; Q299-K302 PolarHBondContact O-N 3.28Å; Q299-N303 WeakPolarHBondContact O-CB 3.14Å; Q299-N303 PolarHBondContact O-N 2.57Å; Q299-N303 PolarHBondContact O-OD1 3.11Å |
| 300 | L | 90.9 | Very high | 90.3 | Very high | 72 Ų | 72 | 76.8 Ų | 76.8 | 38% | 0.377 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 176 | -87.1 | 77.8 | 0 | 0 | 0 | 111.8 | R297 P298 A304 | R297-L300 HydrophobicContact CB-CD1 3.73Å; R297-L300 PolarHBondContact O-N 3.24Å; R297-L300 VanDerWaalsContact O-N 3.16Å; P298-L300 PolarHBondContact O-N 2.82Å; L300-A304 VanDerWaalsContact O-CB 3.3Å; L300-A304 WeakPolarHBondContact O-CB 3.26Å; L300-A304 PolarHBondContact O-N 3.16Å |
| 301 | L | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 174.7 | 170 | 62.7 | 0 | 0 | 0 | 110.7 | Y278 I281 R282 V294 P298 A304 L305 M342 I346 | Y278-L301 HydrophobicContact CD2-CD2 4.19Å; Y278-L301 HydrophobicContact CD2-CG 4.44Å; Y278-L301 HydrophobicContact CE2-CD2 3.65Å; Y278-L301 HydrophobicContact CE2-CG 3.82Å; I281-L301 HydrophobicContact CG2-CD1 3.78Å; I281-L301 HydrophobicContact CG2-CD2 4.16Å; R282-L301 HydrophobicContact CB-CD2 3.85Å; R282-L301 HydrophobicContact CG-CD2 4.47Å; V294-L301 HydrophobicContact CG1-CB 3.57Å; V294-L301 HydrophobicContact CG1-CD2 3.73Å; V294-L301 HydrophobicContact CG1-CG 4.27Å; V294-L301 HydrophobicContact CG2-CB 4.43Å; P298-L301 PolarHBondContact O-N 2.95Å; L301-A304 PolarHBondContact O-N 3.42Å; L301-L305 HydrophobicContact CD1-CD1 3.76Å; L301-L305 HydrophobicContact CD1-CG 3.94Å; L301-L305 HydrophobicContact CG-CD1 3.89Å; L301-L305 HydrophobicContact CG-CG 4.47Å; L301-L305 WeakPolarHBondContact O-CB 3.45Å; L301-L305 WeakPolarHBondContact O-CG 3.48Å; L301-L305 PolarHBondContact O-N 2.9Å; L301-M342 HydrophobicContact CB-CE 4.09Å; L301-M342 HydrophobicContact CD1-CE 3.57Å; L301-M342 HydrophobicContact CG-CE 4.42Å; L301-I346 HydrophobicContact CD1-CD1 3.9Å; L301-I346 HydrophobicContact CD1-CG1 3.68Å |
| 302 | K | 92.6 | Very high | 90.3 | Very high | 69 Ų | 69 | 71.4 Ų | 71.4 | 30% | 0.3 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.7 | -52.3 | 177.1 | -77.7 | -179 | 160.9 | -170.3 | 0 | 112.3 | Y278 P298 Q299 A304 L305 Q306 A322 | Y278-K302 HydrophobicContact CE2-CG 3.62Å; P298-K302 PolarHBondContact O-N 3.38Å; P298-K302 VanDerWaalsContact O-N 3.07Å; Q299-K302 PolarHBondContact O-N 3.28Å; K302-A304 VanDerWaalsContact C-N 3.27Å; K302-A304 PolarHBondContact O-N 2.94Å; K302-L305 PolarHBondContact O-N 3.42Å; K302-Q306 WeakPolarHBondContact O-CB 3.49Å; K302-Q306 PolarHBondContact O-N 2.96Å; K302-A322 HydrophobicContact CB-CB 3.52Å; K302-A322 HydrophobicContact CD-CB 4.44Å; K302-A322 HydrophobicContact CG-CB 3.85Å; K302-A322 VanDerWaalsContact O-CB 3.32Å; K302-A322 WeakPolarHBondContact O-CB 3.48Å |
| 303 | N | 92.8 | Very high | 90.3 | Very high | 91 Ų | 91 | 71.2 Ų | 71.2 | 49% | 0.487 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.4 | -30.7 | -178.9 | -64.7 | 8.8 | 0 | 0 | 0 | 111.9 | Q299 R307 | Q299-N303 WeakPolarHBondContact O-CB 3.14Å; Q299-N303 PolarHBondContact O-N 2.57Å; Q299-N303 PolarHBondContact O-OD1 3.11Å; N303-R307 WeakPolarHBondContact O-CB 3.38Å; N303-R307 WeakPolarHBondContact O-CD 3.4Å; N303-R307 VanDerWaalsContact O-CG 3.25Å; N303-R307 WeakPolarHBondContact O-CG 3.36Å; N303-R307 PolarHBondContact O-N 2.92Å; N303-R307 VanDerWaalsContact O-N 3.08Å |
| 304 | A | 92.4 | Very high | 90.5 | Very high | 15 Ų | 15 | 63.6 Ų | 63.6 | 12% | 0.124 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.8 | -41.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L300 L301 K302 A308 M342 I346 | L300-A304 VanDerWaalsContact O-CB 3.3Å; L300-A304 WeakPolarHBondContact O-CB 3.26Å; L300-A304 PolarHBondContact O-N 3.16Å; L301-A304 PolarHBondContact O-N 3.42Å; K302-A304 VanDerWaalsContact C-N 3.27Å; K302-A304 PolarHBondContact O-N 2.94Å; A304-A308 WeakPolarHBondContact O-CB 3.44Å; A304-A308 PolarHBondContact O-N 3.1Å; A304-M342 HydrophobicContact CB-CG 3.5Å; A304-I346 HydrophobicContact CB-CD1 3.83Å |
| 305 | L | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 173.9 | -74.1 | 166.7 | 0 | 0 | 0 | 111.6 | Y278 I281 L301 K302 A308 V309 L314 F326 I346 | Y278-L305 HydrophobicContact CD2-CD1 3.63Å; Y278-L305 HydrophobicContact CE2-CD1 4.14Å; I281-L305 HydrophobicContact CD1-CD2 4.2Å; L301-L305 HydrophobicContact CD1-CD1 3.76Å; L301-L305 HydrophobicContact CD1-CG 3.94Å; L301-L305 HydrophobicContact CG-CD1 3.89Å; L301-L305 HydrophobicContact CG-CG 4.47Å; L301-L305 WeakPolarHBondContact O-CB 3.45Å; L301-L305 WeakPolarHBondContact O-CG 3.48Å; L301-L305 PolarHBondContact O-N 2.9Å; K302-L305 PolarHBondContact O-N 3.42Å; L305-A308 PolarHBondContact O-N 2.86Å; L305-V309 WeakPolarHBondContact O-CG2 3.42Å; L305-V309 PolarHBondContact O-N 2.7Å; L305-L314 HydrophobicContact CD2-CD1 3.63Å; L305-F326 HydrophobicContact CB-CE1 4.32Å; L305-F326 HydrophobicContact CB-CZ 4.21Å; L305-F326 HydrophobicContact CD1-CD2 4.28Å; L305-F326 HydrophobicContact CD1-CE2 3.87Å; L305-F326 HydrophobicContact CD1-CZ 4.26Å; L305-F326 HydrophobicContact CD2-CD1 4.49Å; L305-F326 HydrophobicContact CD2-CD2 4.12Å; L305-F326 HydrophobicContact CD2-CE2 4.4Å; L305-F326 HydrophobicContact CD2-CG 4.18Å; L305-I346 HydrophobicContact CD2-CD1 4.12Å; L305-I346 HydrophobicContact CD2-CG1 4.38Å; L305-I346 HydrophobicContact CD2-CG2 3.68Å; L305-I346 HydrophobicContact CG-CD1 4.17Å |
| 306 | Q | 92.8 | Very high | 90.9 | Very high | 59 Ų | 59 | 66.2 Ų | 66.2 | 28% | 0.276 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.1 | -51.8 | 176.1 | -175.5 | 60.3 | 41.9 | 0 | 0 | 111.1 | K302 A308 V309 E310 G321 A322 | K302-Q306 WeakPolarHBondContact O-CB 3.49Å; K302-Q306 PolarHBondContact O-N 2.96Å; Q306-A308 VanDerWaalsContact C-N 3.32Å; Q306-A308 PolarHBondContact O-N 2.75Å; Q306-V309 PolarHBondContact O-N 3.26Å; Q306-V309 VanDerWaalsContact O-N 3.15Å; Q306-E310 VanDerWaalsContact CG-OE1 3.27Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.26Å; Q306-E310 PolarHBondContact NE2-OE1 3.46Å; Q306-E310 WeakPolarHBondContact O-CG 3.27Å; Q306-E310 PolarHBondContact O-N 2.93Å; Q306-G321 VanDerWaalsContact OE1-C 3.3Å; Q306-G321 VanDerWaalsContact OE1-CA 3.3Å; Q306-A322 HydrophobicContact CB-CB 4.3Å |
| 307 | R | 91.6 | Very high | 91 | Very high | 157 Ų | 157 | 63.8 Ų | 63.8 | 59% | 0.592 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.5 | -35.1 | 175.3 | -73.3 | 170.8 | 179.2 | -179.3 | -2.3 | 113.7 | N303 V309 E310 R311 | N303-R307 WeakPolarHBondContact O-CB 3.38Å; N303-R307 WeakPolarHBondContact O-CD 3.4Å; N303-R307 VanDerWaalsContact O-CG 3.25Å; N303-R307 WeakPolarHBondContact O-CG 3.36Å; N303-R307 PolarHBondContact O-N 2.92Å; N303-R307 VanDerWaalsContact O-N 3.08Å; R307-V309 VanDerWaalsContact C-N 3.34Å; R307-E310 WeakPolarHBondContact CA-OE2 3.06Å; R307-E310 PolarHBondContact O-N 3.26Å; R307-R311 VanDerWaalsContact O-CB 3.29Å; R307-R311 WeakPolarHBondContact O-CB 3.3Å; R307-R311 WeakPolarHBondContact O-CD 3.42Å; R307-R311 WeakPolarHBondContact O-CG 3.34Å; R307-R311 PolarHBondContact O-N 3.37Å |
| 308 | A | 91 | Very high | 91 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.8 | -29.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A304 L305 Q306 Q313 L314 L337 | A304-A308 WeakPolarHBondContact O-CB 3.44Å; A304-A308 PolarHBondContact O-N 3.1Å; L305-A308 PolarHBondContact O-N 2.86Å; Q306-A308 VanDerWaalsContact C-N 3.32Å; Q306-A308 PolarHBondContact O-N 2.75Å; A308-Q313 WeakPolarHBondContact O-CA 3.43Å; A308-Q313 WeakPolarHBondContact O-CB 3.44Å; A308-Q313 PolarHBondContact O-N 3.06Å; A308-L314 HydrophobicContact CB-CB 4.36Å; A308-L314 HydrophobicContact CB-CD1 3.74Å; A308-L314 HydrophobicContact CB-CG 3.88Å; A308-L314 PolarHBondContact O-N 3.34Å; A308-L337 HydrophobicContact CB-CD1 3.74Å |
| 309 | V | 92.3 | Very high | 90.8 | Very high | 38 Ų | 38 | 61.8 Ų | 61.8 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -73.2 | -45.2 | 169.9 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | L305 Q306 R307 R311 G312 L314 Q316 F326 | L305-V309 WeakPolarHBondContact O-CG2 3.42Å; L305-V309 PolarHBondContact O-N 2.7Å; Q306-V309 PolarHBondContact O-N 3.26Å; Q306-V309 VanDerWaalsContact O-N 3.15Å; R307-V309 VanDerWaalsContact C-N 3.34Å; V309-R311 VanDerWaalsContact C-N 3.26Å; V309-R311 PolarHBondContact O-N 2.69Å; V309-G312 WeakPolarHBondContact O-CA 3.48Å; V309-G312 PolarHBondContact O-N 3.4Å; V309-L314 WeakPolarHBondContact CA-O 3.41Å; V309-L314 HydrophobicContact CG2-CB 3.88Å; V309-Q316 HydrophobicContact CG2-CB 4.47Å; V309-F326 HydrophobicContact CG2-CD1 3.82Å; V309-F326 HydrophobicContact CG2-CE1 3.9Å |
| 310 | E | 91.3 | Very high | 90.4 | Very high | 128 Ų | 128 | 66 Ų | 66 | 60% | 0.598 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59.7 | -34.6 | 176.1 | -70.8 | 158.4 | 178.7 | 0 | 0 | 112.6 | Q306 R307 G312 | Q306-E310 VanDerWaalsContact CG-OE1 3.27Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.26Å; Q306-E310 PolarHBondContact NE2-OE1 3.46Å; Q306-E310 WeakPolarHBondContact O-CG 3.27Å; Q306-E310 PolarHBondContact O-N 2.93Å; R307-E310 WeakPolarHBondContact CA-OE2 3.06Å; R307-E310 PolarHBondContact O-N 3.26Å; E310-G312 PolarHBondContact O-N 3.27Å |
| 311 | R | 89.8 | Confident | 89.8 | Confident | 153 Ų | 153 | 64 Ų | 64 | 58% | 0.577 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 0.5 | 172.9 | -71.7 | 169.6 | 167.5 | -167.8 | -10.2 | 114.3 | R307 V309 Q313 E343 | R307-R311 VanDerWaalsContact O-CB 3.29Å; R307-R311 WeakPolarHBondContact O-CB 3.3Å; R307-R311 WeakPolarHBondContact O-CD 3.42Å; R307-R311 WeakPolarHBondContact O-CG 3.34Å; R307-R311 PolarHBondContact O-N 3.37Å; V309-R311 VanDerWaalsContact C-N 3.26Å; V309-R311 PolarHBondContact O-N 2.69Å; R311-Q313 HydrophobicContact CB-CG 3.87Å; R311-Q313 PolarHBondContact O-N 3.01Å; R311-E343 IonicContact CZ-OE1 2.71Å; R311-E343 IonicContact NH1-OE1 2.65Å; R311-E343 PolarHBondContact NH1-OE1 3.46Å |
| 312 | G | 87.8 | Confident | 89.1 | Confident | 31 Ų | 31 | 65 Ų | 65 | 32% | 0.32 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 12.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V309 E310 K329 | V309-G312 WeakPolarHBondContact O-CA 3.48Å; V309-G312 PolarHBondContact O-N 3.4Å; E310-G312 PolarHBondContact O-N 3.27Å; G312-K329 WeakPolarHBondContact O-CD 3.47Å |
| 313 | Q | 88.2 | Confident | 88.7 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -82.4 | -29.1 | -179.4 | -58.5 | 179.1 | -24.4 | 0 | 0 | 111.9 | A308 R311 K329 L336 L337 | A308-Q313 WeakPolarHBondContact O-CA 3.43Å; A308-Q313 WeakPolarHBondContact O-CB 3.44Å; A308-Q313 PolarHBondContact O-N 3.06Å; R311-Q313 HydrophobicContact CB-CG 3.87Å; R311-Q313 PolarHBondContact O-N 3.01Å; Q313-K329 PolarHBondContact O-N 3.48Å; Q313-K329 VanDerWaalsContact O-N 3.17Å; Q313-L336 HydrophobicContact CB-CB 4.27Å; Q313-L336 HydrophobicContact CG-CB 3.87Å; Q313-L336 HydrophobicContact CG-CD1 4.47Å; Q313-L336 PolarHBondContact NE2-O 3.14Å; Q313-L337 HydrophobicContact CB-CD1 4.34Å |
| 314 | L | 90.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 152.1 | 170.7 | -66 | -177.9 | 0 | 0 | 0 | 110.1 | L305 A308 V309 F326 Q327 L328 L337 I346 I350 | L305-L314 HydrophobicContact CD2-CD1 3.63Å; A308-L314 HydrophobicContact CB-CB 4.36Å; A308-L314 HydrophobicContact CB-CD1 3.74Å; A308-L314 HydrophobicContact CB-CG 3.88Å; A308-L314 PolarHBondContact O-N 3.34Å; V309-L314 WeakPolarHBondContact CA-O 3.41Å; V309-L314 HydrophobicContact CG2-CB 3.88Å; L314-F326 HydrophobicContact CD1-CB 4.26Å; L314-Q327 CarbonylContact C-O 3.29Å; L314-Q327 WeakPolarHBondContact CA-O 3.35Å; L314-Q327 WeakPolarHBondContact CD2-O 3.47Å; L314-L328 HydrophobicContact CD2-CB 4.39Å; L314-L328 HydrophobicContact CD2-CD1 3.91Å; L314-L337 HydrophobicContact CD1-CD2 4.22Å; L314-L337 HydrophobicContact CD2-CD2 3.93Å; L314-L337 HydrophobicContact CG-CD2 4.16Å; L314-I346 HydrophobicContact CD1-CG2 4.15Å; L314-I350 HydrophobicContact CD1-CD1 4.16Å; L314-I350 HydrophobicContact CD2-CD1 3.56Å |
| 315 | E | 91.3 | Very high | 88.5 | Confident | 80 Ų | 80 | 62 Ų | 62 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.6 | 173.2 | -167.5 | 163.2 | 136.1 | 0 | 0 | 109.6 | F326 Q327 K329 | E315-F326 CarbonylContact O-C 3.53Å; E315-F326 WeakPolarHBondContact O-CA 3.47Å; E315-Q327 HydrophobicContact CB-CB 4.43Å; E315-Q327 PolarHBondContact N-O 3.43Å; E315-Q327 PolarHBondContact O-N 2.84Å; E315-K329 IonicContact OE2-NZ 2.71Å; E315-K329 PolarHBondContact OE2-NZ 2.87Å |
| 316 | Q | 92.3 | Very high | 88.5 | Confident | 54 Ų | 54 | 62 Ų | 62 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 100.4 | -178.3 | -179.3 | 170.5 | 24.9 | 0 | 0 | 110.3 | V309 G321 S323 F326 | V309-Q316 HydrophobicContact CG2-CB 4.47Å; Q316-G321 PolarHBondContact NE2-O 3.21Å; Q316-G321 PolarHBondContact OE1-O 3.45Å; Q316-S323 PolarHBondContact NE2-O 3.22Å; Q316-F326 HydrophobicContact CB-CD1 4.49Å; Q316-F326 HydrophobicContact CB-CE1 4.44Å; Q316-F326 HydrophobicContact CG-CE1 4.41Å |
| 317 | I | 90.8 | Very high | 88.5 | Confident | 80 Ų | 80 | 61.5 Ų | 61.5 | 41% | 0.41 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -28.9 | 178.7 | -64.1 | 178 | 0 | 0 | 0 | 111.4 | E275 T325 Q327 | E275-I317 VanDerWaalsContact CD-CD1 3.4Å; E275-I317 HydrophobicContact CG-CD1 4.04Å; E275-I317 VanDerWaalsContact OE1-CD1 3.26Å; E275-I317 WeakPolarHBondContact OE1-CD1 3.4Å; I317-T325 PolarHBondContact N-O 3Å; I317-T325 VanDerWaalsContact N-O 3.11Å; I317-Q327 HydrophobicContact CD1-CB 3.71Å; I317-Q327 HydrophobicContact CD1-CG 4.26Å; I317-Q327 HydrophobicContact CG1-CB 4.18Å |
| 318 | T | 89 | Confident | 88.4 | Confident | 80 Ų | 80 | 54.8 Ų | 54.8 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 142.2 | -174.7 | -48.3 | 0 | 0 | 0 | 0 | 111 | G324 T325 | T318-G324 CarbonylContact O-C 3.57Å; T318-G324 VanDerWaalsContact O-CA 3.29Å; T318-G324 WeakPolarHBondContact O-CA 3.26Å; T318-T325 PolarHBondContact O-N 3.35Å |
| 319 | G | 83.7 | Confident | 88.2 | Confident | 46 Ų | 46 | 59 Ų | 59 | 47% | 0.474 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 103.9 | -171.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 320 | K | 81.9 | Confident | 87.4 | Confident | 200 Ų | 200 | 63.3 Ų | 63.3 | 87% | 0.87 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -135.5 | 134.1 | 171.8 | -66.8 | -172.7 | 178.1 | -174.6 | 0 | 108.4 | ||
| 321 | G | 79.5 | Confident | 85.6 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 32% | 0.32 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 58.2 | -144.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q306 Q316 S323 | Q306-G321 VanDerWaalsContact OE1-C 3.3Å; Q306-G321 VanDerWaalsContact OE1-CA 3.3Å; Q316-G321 PolarHBondContact NE2-O 3.21Å; Q316-G321 PolarHBondContact OE1-O 3.45Å; G321-S323 PolarHBondContact O-N 2.94Å |
| 322 | A | 76.9 | Confident | 84.1 | Confident | 20 Ų | 20 | 56 Ų | 56 | 17% | 0.165 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -73.1 | 41.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | K302 Q306 | K302-A322 HydrophobicContact CB-CB 3.52Å; K302-A322 HydrophobicContact CD-CB 4.44Å; K302-A322 HydrophobicContact CG-CB 3.85Å; K302-A322 VanDerWaalsContact O-CB 3.32Å; K302-A322 WeakPolarHBondContact O-CB 3.48Å; Q306-A322 HydrophobicContact CB-CB 4.3Å |
| 323 | S | 84.2 | Confident | 82.4 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 42% | 0.42 | 36% | 0.361 | S | S | . | . | trans | -148 | 154.2 | -178.3 | -167.6 | 0 | 0 | 0 | 0 | 112.5 | Q316 G321 | Q316-S323 PolarHBondContact NE2-O 3.22Å; G321-S323 PolarHBondContact O-N 2.94Å | ||
| 324 | G | 89.6 | Confident | 81.1 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | S | Bend | trans | 100.9 | -137.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S277 Y278 T318 | S277-G324 CarbonylContact C-O 3.57Å; S277-G324 VanDerWaalsContact CA-O 3.25Å; S277-G324 WeakPolarHBondContact CA-O 3.41Å; Y278-G324 PolarHBondContact N-O 3.18Å; T318-G324 CarbonylContact O-C 3.57Å; T318-G324 VanDerWaalsContact O-CA 3.29Å; T318-G324 WeakPolarHBondContact O-CA 3.26Å |
| 325 | T | 92.3 | Very high | 80 | Confident | 34 Ų | 34 | 73 Ų | 73 | 21% | 0.209 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.2 | -170.7 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | E275 I317 T318 | E275-T325 HydrophobicContact CB-CG2 4.24Å; I317-T325 PolarHBondContact N-O 3Å; I317-T325 VanDerWaalsContact N-O 3.11Å; T318-T325 PolarHBondContact O-N 3.35Å |
| 326 | F | 92.9 | Very high | 78.9 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 0% | 0.004 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.9 | -177.9 | -57.6 | -86 | 0 | 0 | 0 | 110.2 | E275 A276 I281 L305 V309 L314 E315 Q316 | E275-F326 WeakPolarHBondContact CA-O 3.17Å; A276-F326 PolarHBondContact N-O 2.75Å; A276-F326 PolarHBondContact O-N 3.37Å; I281-F326 HydrophobicContact CD1-CD2 4.17Å; L305-F326 HydrophobicContact CB-CE1 4.32Å; L305-F326 HydrophobicContact CB-CZ 4.21Å; L305-F326 HydrophobicContact CD1-CD2 4.28Å; L305-F326 HydrophobicContact CD1-CE2 3.87Å; L305-F326 HydrophobicContact CD1-CZ 4.26Å; L305-F326 HydrophobicContact CD2-CD1 4.49Å; L305-F326 HydrophobicContact CD2-CD2 4.12Å; L305-F326 HydrophobicContact CD2-CE2 4.4Å; L305-F326 HydrophobicContact CD2-CG 4.18Å; V309-F326 HydrophobicContact CG2-CD1 3.82Å; V309-F326 HydrophobicContact CG2-CE1 3.9Å; L314-F326 HydrophobicContact CD1-CB 4.26Å; E315-F326 CarbonylContact O-C 3.53Å; E315-F326 WeakPolarHBondContact O-CA 3.47Å; Q316-F326 HydrophobicContact CB-CD1 4.49Å; Q316-F326 HydrophobicContact CB-CE1 4.44Å; Q316-F326 HydrophobicContact CG-CE1 4.41Å |
| 327 | Q | 91.9 | Very high | 78.2 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 22% | 0.22 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 141.7 | 169.9 | -168.5 | -177 | 87.2 | 0 | 0 | 109.5 | P273 K274 E275 L314 E315 I317 K329 | P273-Q327 HydrophobicContact CB-CG 4.31Å; P273-Q327 VanDerWaalsContact CB-NE2 3.34Å; K274-Q327 WeakPolarHBondContact O-CA 3.21Å; E275-Q327 HydrophobicContact CG-CB 3.73Å; E275-Q327 HydrophobicContact CG-CG 3.69Å; E275-Q327 PolarHBondContact OE1-NE2 3.25Å; L314-Q327 CarbonylContact C-O 3.29Å; L314-Q327 WeakPolarHBondContact CA-O 3.35Å; L314-Q327 WeakPolarHBondContact CD2-O 3.47Å; E315-Q327 HydrophobicContact CB-CB 4.43Å; E315-Q327 PolarHBondContact N-O 3.43Å; E315-Q327 PolarHBondContact O-N 2.84Å; I317-Q327 HydrophobicContact CD1-CB 3.71Å; I317-Q327 HydrophobicContact CD1-CG 4.26Å; I317-Q327 HydrophobicContact CG1-CB 4.18Å; Q327-K329 PolarHBondContact O-N 3.4Å |
| 328 | L | 90.1 | Very high | 77.1 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 8% | 0.084 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 112.4 | 171.2 | -178.3 | 67.6 | 0 | 0 | 0 | 110.2 | K274 L314 P335 L337 L347 I350 | K274-L328 HydrophobicContact CB-CB 4.2Å; K274-L328 HydrophobicContact CD-CD2 4.3Å; K274-L328 PolarHBondContact O-N 2.9Å; L314-L328 HydrophobicContact CD2-CB 4.39Å; L314-L328 HydrophobicContact CD2-CD1 3.91Å; L328-P335 HydrophobicContact CD1-CB 4.29Å; L328-P335 HydrophobicContact CD2-CB 3.99Å; L328-P335 HydrophobicContact CD2-CG 4.01Å; L328-L337 HydrophobicContact CD1-CB 3.99Å; L328-L337 HydrophobicContact CD1-CD2 4.44Å; L328-L347 HydrophobicContact CD1-CD1 4.06Å; L328-L347 HydrophobicContact CD2-CD1 3.56Å; L328-L347 HydrophobicContact CG-CD1 4.47Å; L328-I350 HydrophobicContact CB-CG2 4.3Å |
| 329 | K | 86.2 | Confident | 76.6 | Confident | 89 Ų | 89 | 68.7 Ų | 68.7 | 39% | 0.387 | 42% | 0.416 | S | S | . | . | trans | -69.4 | 135 | 176.2 | -150.1 | -176 | -170.5 | 89 | 0 | 109 | G312 Q313 E315 Q327 | G312-K329 WeakPolarHBondContact O-CD 3.47Å; Q313-K329 PolarHBondContact O-N 3.48Å; Q313-K329 VanDerWaalsContact O-N 3.17Å; E315-K329 IonicContact OE2-NZ 2.71Å; E315-K329 PolarHBondContact OE2-NZ 2.87Å; Q327-K329 PolarHBondContact O-N 3.4Å | ||
| 330 | K | 75.1 | Confident | 76.7 | Confident | 129 Ų | 129 | 68.9 Ų | 68.9 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | B | Isolated β-bridge | trans | -91.3 | 141.6 | 178.5 | -55.3 | -168.6 | -152.6 | 173.8 | 0 | 111 | E272 | E272-K330 WeakPolarHBondContact OE1-CE 3.34Å; E272-K330 IonicContact OE1-NZ 3.67Å; E272-K330 PolarHBondContact OE1-NZ 3.19Å; E272-K330 IonicContact OE2-NZ 3.68Å; E272-K330 PolarHBondContact OE2-NZ 3.24Å |
| 331 | S | 53.5 | Low | 77 | Confident | 63 Ų | 63 | 65.8 Ų | 65.8 | 44% | 0.441 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -145.5 | 79.8 | 171.1 | -51.1 | 0 | 0 | 0 | 0 | 108.3 | L336 | S331-L336 VanDerWaalsContact OG-CD1 3.3Å; S331-L336 WeakPolarHBondContact OG-CD1 3.45Å |
| 332 | G | 57.5 | Low | 77.5 | Confident | 65 Ų | 65 | 65.3 Ų | 65.3 | 67% | 0.67 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 81.6 | -166.5 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K334 | G332-K334 VanDerWaalsContact C-N 3.27Å; G332-K334 PolarHBondContact O-N 2.93Å |
| 333 | E | 53 | Low | 78.1 | Confident | 188 Ų | 188 | 65.4 Ų | 65.4 | 88% | 0.879 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -73.4 | -14.9 | -176.4 | -62.3 | -165.8 | 136.1 | 0 | 0 | 114.3 | ||
| 334 | K | 61.9 | Low | 78.5 | Confident | 173 Ų | 173 | 66.4 Ų | 66.4 | 75% | 0.752 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -106.2 | 135.7 | -177.9 | -66.4 | 176.6 | -175.5 | 171 | 0 | 110.5 | G332 | G332-K334 VanDerWaalsContact C-N 3.27Å; G332-K334 PolarHBondContact O-N 2.93Å |
| 335 | P | 66.3 | Low | 78.6 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -58.1 | 135.1 | 167.8 | -26.3 | 36.7 | 0 | 0 | 0 | 112.2 | L328 L337 L347 | L328-P335 HydrophobicContact CD1-CB 4.29Å; L328-P335 HydrophobicContact CD2-CB 3.99Å; L328-P335 HydrophobicContact CD2-CG 4.01Å; P335-L337 PolarHBondContact O-N 3.37Å; P335-L347 HydrophobicContact CB-CD1 3.6Å; P335-L347 HydrophobicContact CB-CD2 3.87Å; P335-L347 HydrophobicContact CB-CG 4.41Å; P335-L347 HydrophobicContact CG-CD1 3.72Å; P335-L347 HydrophobicContact CG-CD2 4.06Å |
| 336 | L | 69.2 | Low | 78.6 | Confident | 76 Ų | 76 | 63.9 Ų | 63.9 | 40% | 0.398 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -69.1 | -20.2 | 170.1 | -66.1 | -173.2 | 0 | 0 | 0 | 113.2 | Q313 S331 G338 | Q313-L336 HydrophobicContact CB-CB 4.27Å; Q313-L336 HydrophobicContact CG-CB 3.87Å; Q313-L336 HydrophobicContact CG-CD1 4.47Å; Q313-L336 PolarHBondContact NE2-O 3.14Å; S331-L336 VanDerWaalsContact OG-CD1 3.3Å; S331-L336 WeakPolarHBondContact OG-CD1 3.45Å; L336-G338 VanDerWaalsContact C-N 3.3Å; L336-G338 PolarHBondContact O-N 3.21Å |
| 337 | L | 75.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | trans | -79.6 | 73.3 | -174.9 | -169.4 | 66.2 | 0 | 0 | 0 | 111.8 | A308 Q313 L314 L328 P335 E343 I346 L347 | A308-L337 HydrophobicContact CB-CD1 3.74Å; Q313-L337 HydrophobicContact CB-CD1 4.34Å; L314-L337 HydrophobicContact CD1-CD2 4.22Å; L314-L337 HydrophobicContact CD2-CD2 3.93Å; L314-L337 HydrophobicContact CG-CD2 4.16Å; L328-L337 HydrophobicContact CD1-CB 3.99Å; L328-L337 HydrophobicContact CD1-CD2 4.44Å; P335-L337 PolarHBondContact O-N 3.37Å; L337-E343 HydrophobicContact CD1-CB 3.78Å; L337-E343 HydrophobicContact CD1-CG 3.79Å; L337-E343 HydrophobicContact CG-CB 4.06Å; L337-I346 HydrophobicContact CD2-CB 4.08Å; L337-I346 HydrophobicContact CD2-CG2 3.69Å; L337-L347 HydrophobicContact CD2-CB 4.19Å; L337-L347 HydrophobicContact CG-CB 4.4Å; L337-L347 WeakPolarHBondContact O-CD2 3.1Å | ||
| 338 | G | 69.3 | Low | 78.6 | Confident | 49 Ų | 49 | 62.2 Ų | 62.2 | 51% | 0.505 | 36% | 0.357 | S | S | . | . | trans | -151.8 | 139.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L336 | L336-G338 VanDerWaalsContact C-N 3.3Å; L336-G338 PolarHBondContact O-N 3.21Å | ||
| 339 | G | 77.4 | Confident | 78.7 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 79% | 0.794 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 158.5 | -73.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 340 | S | 85.4 | Confident | 79.1 | Confident | 50 Ų | 50 | 57.2 Ų | 57.2 | 35% | 0.35 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -83.1 | 158.1 | 173.2 | 72.8 | 0 | 0 | 0 | 0 | 113.4 | M342 E343 Y344 | S340-M342 PolarHBondContact O-N 3.39Å; S340-M342 PolarHBondContact OG-N 2.94Å; S340-E343 WeakPolarHBondContact CB-OE2 3.31Å; S340-E343 PolarHBondContact N-OE2 2.9Å; S340-E343 PolarHBondContact O-N 2.98Å; S340-E343 VanDerWaalsContact OG-CD 3.25Å; S340-E343 WeakPolarHBondContact OG-CG 3.48Å; S340-E343 PolarHBondContact OG-N 3.34Å; S340-E343 VanDerWaalsContact OG-N 3.11Å; S340-E343 PolarHBondContact OG-OE2 3.24Å; S340-Y344 WeakPolarHBondContact O-CB 3.27Å; S340-Y344 PolarHBondContact O-N 3.1Å |
| 341 | L | 88.6 | Confident | 79.8 | Confident | 135 Ų | 135 | 51.6 Ų | 51.6 | 71% | 0.707 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -56.1 | -27.9 | 169.4 | -68.5 | 170.5 | 0 | 0 | 0 | 113 | L292 A345 | L292-L341 HydrophobicContact CD2-CB 4.43Å; L341-A345 VanDerWaalsContact O-CB 3.23Å; L341-A345 WeakPolarHBondContact O-CB 3.18Å; L341-A345 PolarHBondContact O-N 3.19Å; L341-A345 VanDerWaalsContact O-N 3.14Å |
| 342 | M | 90.1 | Very high | 81.7 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -77.5 | -46.3 | -179.6 | -170.2 | 69.9 | -118.3 | 0 | 0 | 111 | V285 L292 V294 L301 A304 S340 A345 I346 | V285-M342 HydrophobicContact CG1-CE 4.17Å; L292-M342 HydrophobicContact CD1-CE 4.26Å; L292-M342 HydrophobicContact CD1-SD 3.93Å; L292-M342 HydrophobicContact CD2-SD 4.28Å; L292-M342 HydrophobicContact CG-SD 4.49Å; V294-M342 HydrophobicContact CG2-CE 4.34Å; L301-M342 HydrophobicContact CB-CE 4.09Å; L301-M342 HydrophobicContact CD1-CE 3.57Å; L301-M342 HydrophobicContact CG-CE 4.42Å; A304-M342 HydrophobicContact CB-CG 3.5Å; S340-M342 PolarHBondContact O-N 3.39Å; S340-M342 PolarHBondContact OG-N 2.94Å; M342-A345 PolarHBondContact O-N 3.07Å; M342-I346 HydrophobicContact CE-CD1 4.02Å; M342-I346 HydrophobicContact CE-CG1 3.89Å; M342-I346 HydrophobicContact CG-CD1 4.34Å; M342-I346 VanDerWaalsContact O-CG1 3.29Å; M342-I346 WeakPolarHBondContact O-CG1 3.27Å; M342-I346 PolarHBondContact O-N 3.07Å |
| 343 | E | 90.4 | Very high | 83.3 | Confident | 23 Ų | 23 | 45.7 Ų | 45.7 | 11% | 0.107 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 175.9 | -69.9 | 153.2 | 145 | 0 | 0 | 110.9 | R311 L337 S340 A345 I346 L347 | R311-E343 IonicContact CZ-OE1 2.71Å; R311-E343 IonicContact NH1-OE1 2.65Å; R311-E343 PolarHBondContact NH1-OE1 3.46Å; L337-E343 HydrophobicContact CD1-CB 3.78Å; L337-E343 HydrophobicContact CD1-CG 3.79Å; L337-E343 HydrophobicContact CG-CB 4.06Å; S340-E343 WeakPolarHBondContact CB-OE2 3.31Å; S340-E343 PolarHBondContact N-OE2 2.9Å; S340-E343 PolarHBondContact O-N 2.98Å; S340-E343 VanDerWaalsContact OG-CD 3.25Å; S340-E343 WeakPolarHBondContact OG-CG 3.48Å; S340-E343 PolarHBondContact OG-N 3.34Å; S340-E343 VanDerWaalsContact OG-N 3.11Å; S340-E343 PolarHBondContact OG-OE2 3.24Å; E343-A345 VanDerWaalsContact C-N 3.32Å; E343-A345 PolarHBondContact O-N 3.05Å; E343-I346 PolarHBondContact O-N 3.24Å; E343-I346 VanDerWaalsContact O-N 3.16Å; E343-L347 WeakPolarHBondContact O-CB 3.44Å; E343-L347 PolarHBondContact O-N 3.01Å |
| 344 | Y | 90.9 | Very high | 85.1 | Confident | 81 Ų | 81 | 37.1 Ų | 37.1 | 32% | 0.318 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.9 | -37 | 174.6 | -177.8 | -98.3 | 0 | 0 | 0 | 113 | Y289 S340 S348 F423 | Y289-Y344 HydrophobicContact CE1-CD1 4.32Å; Y289-Y344 VanDerWaalsContact OH-CD1 3.31Å; Y289-Y344 WeakPolarHBondContact OH-CD1 3.48Å; Y289-Y344 WeakPolarHBondContact OH-CE1 2.74Å; S340-Y344 WeakPolarHBondContact O-CB 3.27Å; S340-Y344 PolarHBondContact O-N 3.1Å; Y344-S348 WeakPolarHBondContact O-CB 3.33Å; Y344-S348 PolarHBondContact O-N 3.48Å; Y344-S348 PolarHBondContact O-OG 3.48Å; Y344-F423 HydrophobicContact CE2-CD2 4.41Å; Y344-F423 VanDerWaalsContact OH-CB 3.3Å; Y344-F423 WeakPolarHBondContact OH-CB 3.26Å |
| 345 | A | 92.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.4 | -38 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V285 Y289 L292 L341 M342 E343 A349 | V285-A345 HydrophobicContact CG1-CB 4.18Å; V285-A345 HydrophobicContact CG2-CB 4.12Å; Y289-A345 HydrophobicContact CD1-CB 4.05Å; Y289-A345 HydrophobicContact CD2-CB 3.61Å; Y289-A345 HydrophobicContact CE1-CB 4.07Å; Y289-A345 HydrophobicContact CE2-CB 3.62Å; Y289-A345 HydrophobicContact CG-CB 3.81Å; L292-A345 HydrophobicContact CD1-CB 3.63Å; L341-A345 VanDerWaalsContact O-CB 3.23Å; L341-A345 WeakPolarHBondContact O-CB 3.18Å; L341-A345 PolarHBondContact O-N 3.19Å; L341-A345 VanDerWaalsContact O-N 3.14Å; M342-A345 PolarHBondContact O-N 3.07Å; E343-A345 VanDerWaalsContact C-N 3.32Å; E343-A345 PolarHBondContact O-N 3.05Å; A345-A349 VanDerWaalsContact O-CB 3.31Å; A345-A349 WeakPolarHBondContact O-CB 3.36Å; A345-A349 PolarHBondContact O-N 3Å |
| 346 | I | 92.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -46.3 | 173.2 | -66.2 | 161.5 | 0 | 0 | 0 | 110.5 | I281 L301 A304 L305 L314 L337 M342 E343 S348 A349 I350 | I281-I346 HydrophobicContact CG2-CG1 4.39Å; L301-I346 HydrophobicContact CD1-CD1 3.9Å; L301-I346 HydrophobicContact CD1-CG1 3.68Å; A304-I346 HydrophobicContact CB-CD1 3.83Å; L305-I346 HydrophobicContact CD2-CD1 4.12Å; L305-I346 HydrophobicContact CD2-CG1 4.38Å; L305-I346 HydrophobicContact CD2-CG2 3.68Å; L305-I346 HydrophobicContact CG-CD1 4.17Å; L314-I346 HydrophobicContact CD1-CG2 4.15Å; L337-I346 HydrophobicContact CD2-CB 4.08Å; L337-I346 HydrophobicContact CD2-CG2 3.69Å; M342-I346 HydrophobicContact CE-CD1 4.02Å; M342-I346 HydrophobicContact CE-CG1 3.89Å; M342-I346 HydrophobicContact CG-CD1 4.34Å; M342-I346 VanDerWaalsContact O-CG1 3.29Å; M342-I346 WeakPolarHBondContact O-CG1 3.27Å; M342-I346 PolarHBondContact O-N 3.07Å; E343-I346 PolarHBondContact O-N 3.24Å; E343-I346 VanDerWaalsContact O-N 3.16Å; I346-S348 VanDerWaalsContact C-N 3.33Å; I346-S348 PolarHBondContact O-N 2.93Å; I346-A349 WeakPolarHBondContact O-CB 3.27Å; I346-A349 PolarHBondContact O-N 3.22Å; I346-A349 VanDerWaalsContact O-N 3.1Å; I346-I350 HydrophobicContact CG2-CD1 3.72Å; I346-I350 HydrophobicContact CG2-CG1 4.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.38Å; I346-I350 PolarHBondContact O-N 3.41Å |
| 347 | L | 91.8 | Very high | 88.3 | Confident | 13 Ų | 13 | 30.7 Ų | 30.7 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.2 | -47.1 | 175.4 | 175.1 | 62 | 0 | 0 | 0 | 111.3 | L328 P335 L337 E343 A349 I350 A351 F423 | L328-L347 HydrophobicContact CD1-CD1 4.06Å; L328-L347 HydrophobicContact CD2-CD1 3.56Å; L328-L347 HydrophobicContact CG-CD1 4.47Å; P335-L347 HydrophobicContact CB-CD1 3.6Å; P335-L347 HydrophobicContact CB-CD2 3.87Å; P335-L347 HydrophobicContact CB-CG 4.41Å; P335-L347 HydrophobicContact CG-CD1 3.72Å; P335-L347 HydrophobicContact CG-CD2 4.06Å; L337-L347 HydrophobicContact CD2-CB 4.19Å; L337-L347 HydrophobicContact CG-CB 4.4Å; L337-L347 WeakPolarHBondContact O-CD2 3.1Å; E343-L347 WeakPolarHBondContact O-CB 3.44Å; E343-L347 PolarHBondContact O-N 3.01Å; L347-A349 VanDerWaalsContact C-N 3.3Å; L347-A349 PolarHBondContact O-N 3.11Å; L347-I350 PolarHBondContact O-N 3.13Å; L347-A351 VanDerWaalsContact O-CB 3.3Å; L347-A351 WeakPolarHBondContact O-CB 3.44Å; L347-A351 PolarHBondContact O-N 3.16Å; L347-F423 HydrophobicContact CD2-CZ 4.22Å; L347-F423 HydrophobicContact CG-CZ 4.24Å |
| 348 | S | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.8 | -42 | 175.1 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | Y289 Y344 I346 A352 L422 | Y289-S348 PolarHBondContact OH-OG 2.68Å; Y344-S348 WeakPolarHBondContact O-CB 3.33Å; Y344-S348 PolarHBondContact O-N 3.48Å; Y344-S348 PolarHBondContact O-OG 3.48Å; I346-S348 VanDerWaalsContact C-N 3.33Å; I346-S348 PolarHBondContact O-N 2.93Å; S348-A352 VanDerWaalsContact O-CB 3.26Å; S348-A352 WeakPolarHBondContact O-CB 3.47Å; S348-A352 PolarHBondContact O-N 3.3Å; S348-L422 VanDerWaalsContact O-CD1 3.27Å; S348-L422 WeakPolarHBondContact O-CD1 3.43Å |
| 349 | A | 93.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.2 | -45.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I281 Y284 V285 A345 I346 L347 A352 M353 | I281-A349 HydrophobicContact CB-CB 4.31Å; I281-A349 HydrophobicContact CG1-CB 4.34Å; I281-A349 HydrophobicContact CG2-CB 3.97Å; Y284-A349 VanDerWaalsContact CD1-CA 3.44Å; Y284-A349 HydrophobicContact CD1-CB 3.57Å; Y284-A349 HydrophobicContact CE1-CB 4.4Å; Y284-A349 HydrophobicContact CG-CB 3.92Å; V285-A349 HydrophobicContact CG2-CB 4.1Å; A345-A349 VanDerWaalsContact O-CB 3.31Å; A345-A349 WeakPolarHBondContact O-CB 3.36Å; A345-A349 PolarHBondContact O-N 3Å; I346-A349 WeakPolarHBondContact O-CB 3.27Å; I346-A349 PolarHBondContact O-N 3.22Å; I346-A349 VanDerWaalsContact O-N 3.1Å; L347-A349 VanDerWaalsContact C-N 3.3Å; L347-A349 PolarHBondContact O-N 3.11Å; A349-A352 PolarHBondContact O-N 3.07Å; A349-M353 WeakPolarHBondContact O-CB 3.33Å; A349-M353 WeakPolarHBondContact O-CG 3.4Å; A349-M353 PolarHBondContact O-N 3.04Å |
| 350 | I | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 177.1 | -65.1 | 168.8 | 0 | 0 | 0 | 109.8 | K274 A276 I281 L314 L328 I346 L347 N354 | K274-I350 HydrophobicContact CB-CG2 4.22Å; K274-I350 WeakPolarHBondContact O-CG2 3.3Å; A276-I350 HydrophobicContact CB-CB 4.42Å; A276-I350 HydrophobicContact CB-CG1 4.12Å; I281-I350 HydrophobicContact CD1-CD1 4.27Å; I281-I350 HydrophobicContact CD1-CG1 3.81Å; I281-I350 HydrophobicContact CG1-CG1 4.17Å; L314-I350 HydrophobicContact CD1-CD1 4.16Å; L314-I350 HydrophobicContact CD2-CD1 3.56Å; L328-I350 HydrophobicContact CB-CG2 4.3Å; I346-I350 HydrophobicContact CG2-CD1 3.72Å; I346-I350 HydrophobicContact CG2-CG1 4.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.38Å; I346-I350 PolarHBondContact O-N 3.41Å; L347-I350 PolarHBondContact O-N 3.13Å; I350-N354 WeakPolarHBondContact O-CB 3.43Å; I350-N354 PolarHBondContact O-N 2.89Å |
| 351 | A | 91.6 | Very high | 91.2 | Very high | 10 Ų | 10 | 26.8 Ų | 26.8 | 8% | 0.083 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.6 | -47.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T268 L347 L422 | T268-A351 WeakPolarHBondContact CG2-O 3.3Å; L347-A351 VanDerWaalsContact O-CB 3.3Å; L347-A351 WeakPolarHBondContact O-CB 3.44Å; L347-A351 PolarHBondContact O-N 3.16Å; A351-L422 HydrophobicContact CB-CD1 3.97Å |
| 352 | A | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.6 | -43.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y284 S348 A349 K357 P417 L422 | Y284-A352 HydrophobicContact CD2-CB 3.74Å; Y284-A352 HydrophobicContact CE1-CB 4.44Å; Y284-A352 HydrophobicContact CE2-CB 3.16Å; S348-A352 VanDerWaalsContact O-CB 3.26Å; S348-A352 WeakPolarHBondContact O-CB 3.47Å; S348-A352 PolarHBondContact O-N 3.3Å; A349-A352 PolarHBondContact O-N 3.07Å; A352-K357 WeakPolarHBondContact O-CE 3.32Å; A352-K357 PolarHBondContact O-NZ 3.24Å; A352-P417 HydrophobicContact CB-CG 4.44Å; A352-L422 HydrophobicContact CB-CD1 3.89Å |
| 353 | M | 90.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.02 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -90.8 | -4.9 | -166.6 | -58.8 | -56.4 | -60.3 | 0 | 0 | 114.4 | A276 L280 Y284 A349 E355 Y416 | A276-M353 HydrophobicContact CB-CB 4.24Å; L280-M353 HydrophobicContact CB-CB 3.95Å; L280-M353 HydrophobicContact CB-CE 4.06Å; L280-M353 HydrophobicContact CB-CG 4.22Å; L280-M353 HydrophobicContact CD1-CB 4.48Å; L280-M353 HydrophobicContact CD2-CE 3.83Å; L280-M353 HydrophobicContact CG-CE 4.4Å; Y284-M353 HydrophobicContact CD2-CG 4.04Å; Y284-M353 HydrophobicContact CD2-SD 3.68Å; Y284-M353 HydrophobicContact CG-CG 4.19Å; Y284-M353 HydrophobicContact CG-SD 4.29Å; A349-M353 WeakPolarHBondContact O-CB 3.33Å; A349-M353 WeakPolarHBondContact O-CG 3.4Å; A349-M353 PolarHBondContact O-N 3.04Å; M353-E355 PolarHBondContact O-N 3.28Å; M353-Y416 HydrophobicContact CE-CD1 3.59Å; M353-Y416 HydrophobicContact CE-CD2 3.93Å; M353-Y416 HydrophobicContact CE-CE1 3.52Å; M353-Y416 HydrophobicContact CE-CE2 3.88Å; M353-Y416 HydrophobicContact CE-CG 3.81Å; M353-Y416 HydrophobicContact SD-CD1 3.45Å; M353-Y416 WeakPolarHBondContact SD-CD1 3.49Å; M353-Y416 HydrophobicContact SD-CD2 4.17Å; M353-Y416 HydrophobicContact SD-CE1 4.02Å; M353-Y416 HydrophobicContact SD-CG 3.55Å; M353-Y416 VanDerWaalsContact SD-CG 3.55Å |
| 354 | N | 90.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.043 | 14% | 0.141 | C | C | . | . | trans | -53.5 | 124.4 | 177.6 | -168.4 | 34 | 0 | 0 | 0 | 112.5 | C271 P273 E275 I350 K357 | C271-N354 PolarHBondContact SG-ND2 3.18Å; C271-N354 VanDerWaalsContact SG-ND2 3.37Å; P273-N354 PolarHBondContact O-ND2 3.33Å; E275-N354 PolarHBondContact N-OD1 3.32Å; E275-N354 VanDerWaalsContact O-CA 3.26Å; E275-N354 WeakPolarHBondContact O-CA 3.25Å; E275-N354 PolarHBondContact O-OD1 3.14Å; I350-N354 WeakPolarHBondContact O-CB 3.43Å; I350-N354 PolarHBondContact O-N 2.89Å; N354-K357 WeakPolarHBondContact O-CE 3.45Å; N354-K357 WeakPolarHBondContact O-CG 3.43Å; N354-K357 PolarHBondContact O-NZ 2.89Å | ||
| 355 | E | 86.8 | Confident | 91.6 | Very high | 87 Ų | 87 | 23.2 Ų | 23.2 | 41% | 0.407 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -146.2 | 135.8 | 177.9 | -72.5 | -172.6 | 171.3 | 0 | 0 | 109.6 | M353 P414 Y416 | M353-E355 PolarHBondContact O-N 3.28Å; E355-P414 WeakPolarHBondContact OE1-CB 3.5Å; E355-Y416 HydrophobicContact CG-CE1 4.39Å; E355-Y416 WeakPolarHBondContact OE1-CE1 3.22Å; E355-Y416 VanDerWaalsContact OE1-CZ 3.24Å; E355-Y416 PolarHBondContact OE1-OH 3.17Å; E355-Y416 PolarHBondContact OE2-OH 2.78Å |
| 356 | P | 87.3 | Confident | 91.6 | Very high | 78 Ų | 78 | 28.8 Ų | 28.8 | 51% | 0.506 | 16% | 0.161 | S | C | . | . | S | Bend | cis | -77.3 | 133.9 | 4.3 | 31.1 | -34.6 | 0 | 0 | 0 | 113.4 | C271 T358 Q410 | C271-P356 PolarHBondContact SG-O 3.21Å; P356-T358 HydrophobicContact CB-CG2 4.27Å; P356-T358 HydrophobicContact CG-CG2 4.32Å; P356-T358 PolarHBondContact O-N 2.85Å; P356-Q410 HydrophobicContact CB-CG 4.37Å |
| 357 | K | 91 | Very high | 91.5 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | trans | -74.9 | 96.2 | 172.3 | -66.8 | -170 | 171.1 | 66.4 | 0 | 109.9 | F267 T268 A352 N354 Q410 L411 Y415 | F267-K357 WeakPolarHBondContact CD1-O 3.36Å; T268-K357 VanDerWaalsContact OG1-CE 3.24Å; T268-K357 WeakPolarHBondContact OG1-CE 3.48Å; A352-K357 WeakPolarHBondContact O-CE 3.32Å; A352-K357 PolarHBondContact O-NZ 3.24Å; N354-K357 WeakPolarHBondContact O-CE 3.45Å; N354-K357 WeakPolarHBondContact O-CG 3.43Å; N354-K357 PolarHBondContact O-NZ 2.89Å; K357-Q410 WeakPolarHBondContact O-CA 3.29Å; K357-L411 HydrophobicContact CB-CB 4.42Å; K357-L411 HydrophobicContact CB-CD1 3.97Å; K357-L411 HydrophobicContact CB-CG 4.07Å; K357-L411 HydrophobicContact CD-CD1 3.98Å; K357-L411 PolarHBondContact O-N 2.9Å; K357-Y415 WeakPolarHBondContact CE-O 3.13Å; K357-Y415 PolarHBondContact NZ-O 2.88Å | ||
| 358 | T | 91.8 | Very high | 91.4 | Very high | 42 Ų | 42 | 29.3 Ų | 29.3 | 26% | 0.258 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 154.4 | 173.2 | 74.4 | 0 | 0 | 0 | 0 | 110.9 | C271 P356 F409 Q410 | C271-T358 WeakPolarHBondContact CA-O 3.21Å; C271-T358 VanDerWaalsContact CB-O 3.26Å; C271-T358 WeakPolarHBondContact CB-O 3.4Å; C271-T358 PolarHBondContact SG-N 3.19Å; C271-T358 VanDerWaalsContact SG-N 3.38Å; C271-T358 PolarHBondContact SG-O 3.13Å; C271-T358 VanDerWaalsContact SG-O 3.38Å; P356-T358 HydrophobicContact CB-CG2 4.27Å; P356-T358 HydrophobicContact CG-CG2 4.32Å; P356-T358 PolarHBondContact O-N 2.85Å; T358-F409 CarbonylContact C-O 3.35Å; T358-F409 VanDerWaalsContact CA-O 3.3Å; T358-F409 WeakPolarHBondContact CA-O 3.41Å; T358-Q410 HydrophobicContact CG2-CB 4.16Å; T358-Q410 HydrophobicContact CG2-CG 4.09Å |
| 359 | C | 92 | Very high | 91.3 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.034 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 142.7 | 174.4 | -170 | 0 | 0 | 0 | 0 | 111.4 | F267 L270 L364 T408 F409 | F267-C359 HydrophobicContact CD1-CB 3.72Å; F267-C359 HydrophobicContact CD2-CB 4.11Å; F267-C359 HydrophobicContact CE1-CB 3.65Å; F267-C359 HydrophobicContact CE2-CB 4.05Å; F267-C359 HydrophobicContact CG-CB 3.97Å; F267-C359 HydrophobicContact CZ-CB 3.8Å; L270-C359 VanDerWaalsContact CB-SG 3.53Å; C359-L364 HydrophobicContact CB-CD2 4.33Å; C359-L364 HydrophobicContact CB-CG 4.32Å; C359-T408 WeakPolarHBondContact O-CA 3.18Å; C359-F409 PolarHBondContact N-O 3.02Å; C359-F409 PolarHBondContact O-N 3.08Å |
| 360 | S | 93.1 | Very high | 91 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 147.2 | 172.7 | 77.3 | 0 | 0 | 0 | 0 | 111.6 | T362 A363 L364 | S360-T362 PolarHBondContact O-N 2.93Å; S360-A363 PolarHBondContact O-N 3.24Å; S360-A363 WeakPolarHBondContact OG-CB 3.37Å; S360-A363 PolarHBondContact OG-N 3.37Å; S360-A363 VanDerWaalsContact OG-N 3.09Å; S360-L364 WeakPolarHBondContact O-CG 3.43Å; S360-L364 PolarHBondContact O-N 2.73Å; S360-L364 VanDerWaalsContact O-N 3.08Å |
| 361 | T | 92.1 | Very high | 90.6 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.8 | -29.5 | 172.2 | 49.5 | 0 | 0 | 0 | 0 | 112.4 | K365 L388 S406 G407 F409 | T361-K365 VanDerWaalsContact O-CD 3.28Å; T361-K365 WeakPolarHBondContact O-CD 3.06Å; T361-K365 WeakPolarHBondContact O-CG 3.26Å; T361-K365 PolarHBondContact O-N 2.88Å; T361-L388 HydrophobicContact CG2-CD1 4.31Å; T361-S406 WeakPolarHBondContact OG1-CA 3.34Å; T361-G407 WeakPolarHBondContact CG2-O 3.38Å; T361-G407 PolarHBondContact N-O 3.35Å; T361-G407 PolarHBondContact OG1-N 2.93Å; T361-G407 PolarHBondContact OG1-O 2.85Å; T361-F409 HydrophobicContact CG2-CD2 3.66Å; T361-F409 HydrophobicContact CG2-CE2 3.48Å; T361-F409 VanDerWaalsContact CG2-CE2 3.48Å |
| 362 | T | 92.3 | Very high | 90.2 | Very high | 102 Ų | 102 | 44.3 Ų | 44.3 | 63% | 0.626 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -67.5 | -46.4 | 176.2 | -52 | 0 | 0 | 0 | 0 | 111.6 | S360 L364 K365 K366 | S360-T362 PolarHBondContact O-N 2.93Å; T362-L364 PolarHBondContact O-N 3.24Å; T362-K365 PolarHBondContact O-N 2.98Å; T362-K366 PolarHBondContact O-N 2.85Å; T362-K366 VanDerWaalsContact O-N 3.07Å |
| 363 | A | 92.7 | Very high | 89.4 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L270 S360 K365 K366 Y367 | L270-A363 HydrophobicContact CD1-CB 4.19Å; L270-A363 HydrophobicContact CD2-CB 4.34Å; S360-A363 PolarHBondContact O-N 3.24Å; S360-A363 WeakPolarHBondContact OG-CB 3.37Å; S360-A363 PolarHBondContact OG-N 3.37Å; S360-A363 VanDerWaalsContact OG-N 3.09Å; A363-K365 PolarHBondContact O-N 2.95Å; A363-K366 PolarHBondContact O-N 2.8Å; A363-Y367 WeakPolarHBondContact O-CB 3.47Å; A363-Y367 PolarHBondContact O-N 3.43Å |
| 364 | L | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 174.9 | -66 | 169.8 | 0 | 0 | 0 | 112.7 | L263 A266 F267 L270 C359 S360 T362 V368 L384 L388 | L263-L364 HydrophobicContact CD2-CD2 4.04Å; A266-L364 HydrophobicContact CB-CD2 4.2Å; F267-L364 HydrophobicContact CD2-CD2 3.72Å; F267-L364 HydrophobicContact CE2-CD1 3.57Å; F267-L364 HydrophobicContact CE2-CD2 3.54Å; F267-L364 HydrophobicContact CE2-CG 4.14Å; F267-L364 HydrophobicContact CZ-CD1 3.95Å; L270-L364 HydrophobicContact CD1-CD2 3.94Å; C359-L364 HydrophobicContact CB-CD2 4.33Å; C359-L364 HydrophobicContact CB-CG 4.32Å; S360-L364 WeakPolarHBondContact O-CG 3.43Å; S360-L364 PolarHBondContact O-N 2.73Å; S360-L364 VanDerWaalsContact O-N 3.08Å; T362-L364 PolarHBondContact O-N 3.24Å; L364-V368 WeakPolarHBondContact O-CB 3.4Å; L364-V368 VanDerWaalsContact O-CG2 3.23Å; L364-V368 WeakPolarHBondContact O-CG2 3.24Å; L364-V368 PolarHBondContact O-N 3.32Å; L364-L384 HydrophobicContact CB-CD2 4.24Å; L364-L388 HydrophobicContact CD1-CD1 4.28Å; L364-L388 HydrophobicContact CD1-CD2 4.33Å |
| 365 | K | 91.8 | Very high | 87.6 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 24% | 0.239 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 175.8 | -70.4 | 160 | -171.8 | 165.9 | 0 | 110.9 | T361 T362 A363 L369 M381 L384 F405 | T361-K365 VanDerWaalsContact O-CD 3.28Å; T361-K365 WeakPolarHBondContact O-CD 3.06Å; T361-K365 WeakPolarHBondContact O-CG 3.26Å; T361-K365 PolarHBondContact O-N 2.88Å; T362-K365 PolarHBondContact O-N 2.98Å; A363-K365 PolarHBondContact O-N 2.95Å; K365-L369 WeakPolarHBondContact O-CG 3.08Å; K365-L369 PolarHBondContact O-N 2.75Å; K365-M381 HydrophobicContact CB-CE 4.41Å; K365-M381 HydrophobicContact CB-SD 3.74Å; K365-M381 HydrophobicContact CD-SD 4.46Å; K365-M381 HydrophobicContact CG-SD 3.61Å; K365-L384 HydrophobicContact CG-CD2 4.06Å; K365-F405 VanDerWaalsContact CE-CE1 3.49Å; K365-F405 HydrophobicContact CG-CZ 4.47Å; K365-F405 PolarHBondContact NZ-O 3.38Å |
| 366 | K | 92.1 | Very high | 87.4 | Confident | 116 Ų | 116 | 57.9 Ų | 57.9 | 50% | 0.504 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.4 | -57.8 | 175.3 | -179.5 | 177.7 | 174.8 | -175.7 | 0 | 110.8 | T362 A363 V368 L369 E370 | T362-K366 PolarHBondContact O-N 2.85Å; T362-K366 VanDerWaalsContact O-N 3.07Å; A363-K366 PolarHBondContact O-N 2.8Å; K366-V368 VanDerWaalsContact C-N 3.34Å; K366-V368 PolarHBondContact O-N 2.83Å; K366-L369 PolarHBondContact O-N 2.92Å; K366-L369 VanDerWaalsContact O-N 3.1Å; K366-E370 WeakPolarHBondContact CE-OE1 3.41Å; K366-E370 VanDerWaalsContact CG-CD 3.5Å; K366-E370 VanDerWaalsContact CG-OE1 3.27Å; K366-E370 WeakPolarHBondContact CG-OE1 3.22Å; K366-E370 WeakPolarHBondContact CG-OE2 3.48Å; K366-E370 IonicContact NZ-OE1 2.62Å; K366-E370 WeakPolarHBondContact O-CG 3.42Å; K366-E370 PolarHBondContact O-N 2.85Å; K366-E370 VanDerWaalsContact O-N 3.08Å |
| 367 | Y | 90.8 | Very high | 87.4 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.5 | -41.9 | -178.6 | -178.6 | -79.5 | 0 | 0 | 0 | 113.7 | V262 A266 R269 L270 A363 E370 N371 | V262-Y367 HydrophobicContact CG1-CE1 4.17Å; A266-Y367 HydrophobicContact CB-CD1 3.61Å; A266-Y367 HydrophobicContact CB-CD2 4.49Å; A266-Y367 HydrophobicContact CB-CE1 3.51Å; A266-Y367 HydrophobicContact CB-CE2 4.38Å; A266-Y367 HydrophobicContact CB-CG 4.14Å; R269-Y367 HydrophobicContact CB-CE2 4.13Å; R269-Y367 HydrophobicContact CG-CE2 4.3Å; L270-Y367 HydrophobicContact CD1-CD2 4.09Å; L270-Y367 HydrophobicContact CD1-CG 3.97Å; L270-Y367 HydrophobicContact CD2-CD2 4.09Å; L270-Y367 HydrophobicContact CG-CD2 4.05Å; L270-Y367 HydrophobicContact CG-CG 4.44Å; A363-Y367 WeakPolarHBondContact O-CB 3.47Å; A363-Y367 PolarHBondContact O-N 3.43Å; Y367-E370 PolarHBondContact O-N 3.3Å; Y367-N371 HydrophobicContact CD1-CB 4.24Å; Y367-N371 WeakPolarHBondContact CD2-ND2 3.34Å; Y367-N371 HydrophobicContact CE1-CB 3.88Å; Y367-N371 WeakPolarHBondContact O-CB 3.45Å; Y367-N371 PolarHBondContact O-N 3.4Å; Y367-N371 PolarHBondContact O-ND2 3.04Å |
| 368 | V | 89.8 | Confident | 87.2 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.006 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.9 | -32.2 | -179 | 169.3 | 0 | 0 | 0 | 0 | 112.1 | L259 L364 K366 H372 Q380 M381 L384 | L259-V368 HydrophobicContact CD1-CG1 4.31Å; L259-V368 HydrophobicContact CD1-CG2 3.85Å; L364-V368 WeakPolarHBondContact O-CB 3.4Å; L364-V368 VanDerWaalsContact O-CG2 3.23Å; L364-V368 WeakPolarHBondContact O-CG2 3.24Å; L364-V368 PolarHBondContact O-N 3.32Å; K366-V368 VanDerWaalsContact C-N 3.34Å; K366-V368 PolarHBondContact O-N 2.83Å; V368-H372 CarbonylContact O-C 3.5Å; V368-H372 VanDerWaalsContact O-C 3.29Å; V368-H372 WeakPolarHBondContact O-CA 3.26Å; V368-H372 PolarHBondContact O-N 2.95Å; V368-H372 VanDerWaalsContact O-O 3.13Å; V368-Q380 HydrophobicContact CG1-CB 4.28Å; V368-M381 HydrophobicContact CG1-CE 4.3Å; V368-L384 HydrophobicContact CB-CD2 4.49Å; V368-L384 HydrophobicContact CG2-CD1 4.34Å; V368-L384 HydrophobicContact CG2-CD2 4.27Å |
| 369 | L | 88.9 | Confident | 87 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71 | -37.1 | 173.7 | -68.7 | 170.5 | 0 | 0 | 0 | 112 | K365 K366 S377 M381 | K365-L369 WeakPolarHBondContact O-CG 3.08Å; K365-L369 PolarHBondContact O-N 2.75Å; K366-L369 PolarHBondContact O-N 2.92Å; K366-L369 VanDerWaalsContact O-N 3.1Å; L369-S377 WeakPolarHBondContact CD2-OG 3.47Å; L369-M381 HydrophobicContact CD1-CE 4.21Å; L369-M381 HydrophobicContact CD1-SD 4.41Å; L369-M381 HydrophobicContact CD2-CE 3.83Å; L369-M381 HydrophobicContact CG-CE 3.71Å |
| 370 | E | 88.3 | Confident | 86.7 | Confident | 113 Ų | 113 | 69.4 Ų | 69.4 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -78.2 | -46.1 | -177.9 | -68.7 | 167.5 | 162.2 | 0 | 0 | 113.4 | K366 Y367 | K366-E370 WeakPolarHBondContact CE-OE1 3.41Å; K366-E370 VanDerWaalsContact CG-CD 3.5Å; K366-E370 VanDerWaalsContact CG-OE1 3.27Å; K366-E370 WeakPolarHBondContact CG-OE1 3.22Å; K366-E370 WeakPolarHBondContact CG-OE2 3.48Å; K366-E370 IonicContact NZ-OE1 2.62Å; K366-E370 WeakPolarHBondContact O-CG 3.42Å; K366-E370 PolarHBondContact O-N 2.85Å; K366-E370 VanDerWaalsContact O-N 3.08Å; Y367-E370 PolarHBondContact O-N 3.3Å |
| 371 | N | 84.9 | Confident | 86.6 | Confident | 79 Ų | 79 | 69 Ų | 69 | 42% | 0.422 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -92 | -21.1 | -172.3 | -64.7 | -99.3 | 0 | 0 | 0 | 112.6 | Y367 | Y367-N371 HydrophobicContact CD1-CB 4.24Å; Y367-N371 WeakPolarHBondContact CD2-ND2 3.34Å; Y367-N371 HydrophobicContact CE1-CB 3.88Å; Y367-N371 WeakPolarHBondContact O-CB 3.45Å; Y367-N371 PolarHBondContact O-N 3.4Å; Y367-N371 PolarHBondContact O-ND2 3.04Å |
| 372 | H | 81.7 | Confident | 86.5 | Confident | 68 Ų | 68 | 74 Ų | 74 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -134.7 | 62.7 | 177.7 | -59.4 | -58.4 | 0 | 0 | 0 | 111.3 | V262 V368 G374 Q380 | V262-H372 VanDerWaalsContact CG1-NE2 3.29Å; V262-H372 WeakPolarHBondContact CG1-NE2 3.07Å; V368-H372 CarbonylContact O-C 3.5Å; V368-H372 VanDerWaalsContact O-C 3.29Å; V368-H372 WeakPolarHBondContact O-CA 3.26Å; V368-H372 PolarHBondContact O-N 2.95Å; V368-H372 VanDerWaalsContact O-O 3.13Å; H372-G374 PolarHBondContact O-N 3.21Å; H372-Q380 PolarHBondContact O-NE2 3.43Å |
| 373 | P | 77.3 | Confident | 86.5 | Confident | 104 Ų | 104 | 72 Ų | 72 | 68% | 0.675 | 38% | 0.38 | S | S | * | . | trans | -59 | 102.7 | 178.4 | 25.5 | -35 | 0 | 0 | 0 | 110.4 | ||||
| 374 | G | 71.6 | Confident | 86.4 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | trans | -86.6 | 155.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | H372 N376 | H372-G374 PolarHBondContact O-N 3.21Å; G374-N376 PolarHBondContact O-N 2.89Å | ||
| 375 | T | 72.6 | Confident | 86.5 | Confident | 146 Ų | 146 | 74.3 Ų | 74.3 | 90% | 0.896 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -52.4 | -18.6 | 178.2 | -34.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 376 | N | 80.8 | Confident | 86.5 | Confident | 104 Ų | 104 | 77.4 Ų | 77.4 | 56% | 0.556 | 40% | 0.398 | S | S | * | . | trans | -141.7 | 116.4 | 172.8 | -75.5 | -91.1 | 0 | 0 | 0 | 110.7 | G374 N378 Y379 Q380 | G374-N376 PolarHBondContact O-N 2.89Å; N376-N378 VanDerWaalsContact C-N 3.35Å; N376-N378 PolarHBondContact O-N 2.86Å; N376-Y379 WeakPolarHBondContact O-CB 3.41Å; N376-Y379 PolarHBondContact O-N 3.36Å; N376-Q380 PolarHBondContact O-N 2.84Å; N376-Q380 VanDerWaalsContact O-N 3.15Å | ||
| 377 | S | 87.8 | Confident | 86.5 | Confident | 61 Ų | 61 | 72.2 Ų | 72.2 | 43% | 0.427 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -52.5 | -48.8 | 173.9 | 164.8 | 0 | 0 | 0 | 0 | 112.3 | L369 Y379 Q380 M381 | L369-S377 WeakPolarHBondContact CD2-OG 3.47Å; S377-Y379 PolarHBondContact O-N 2.75Å; S377-Q380 PolarHBondContact O-N 3.43Å; S377-M381 WeakPolarHBondContact O-CG 3.45Å; S377-M381 PolarHBondContact O-N 3.48Å |
| 378 | N | 87 | Confident | 86.6 | Confident | 141 Ų | 141 | 71.2 Ų | 71.2 | 75% | 0.754 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -56.5 | -34.5 | 176.7 | -76.7 | -63.1 | 0 | 0 | 0 | 113.5 | N376 H382 | N376-N378 VanDerWaalsContact C-N 3.35Å; N376-N378 PolarHBondContact O-N 2.86Å; N378-H382 WeakPolarHBondContact O-CB 3.17Å; N378-H382 PolarHBondContact O-N 3.27Å; N378-H382 VanDerWaalsContact O-N 3.13Å |
| 379 | Y | 87.9 | Confident | 86.7 | Confident | 147 Ų | 147 | 74.6 Ų | 74.6 | 58% | 0.576 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -70.3 | -43.5 | 175.6 | -177.5 | -91.8 | 0 | 0 | 0 | 111.3 | N376 S377 M381 H382 L383 | N376-Y379 WeakPolarHBondContact O-CB 3.41Å; N376-Y379 PolarHBondContact O-N 3.36Å; S377-Y379 PolarHBondContact O-N 2.75Å; Y379-M381 VanDerWaalsContact C-N 3.32Å; Y379-M381 PolarHBondContact O-N 2.83Å; Y379-H382 PolarHBondContact O-N 3.27Å; Y379-L383 HydrophobicContact CE1-CD2 4.29Å; Y379-L383 WeakPolarHBondContact O-CB 3.46Å; Y379-L383 PolarHBondContact O-N 3.46Å |
| 380 | Q | 86.5 | Confident | 86.9 | Confident | 26 Ų | 26 | 75.6 Ų | 75.6 | 12% | 0.121 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 175.8 | -65.8 | -65.6 | 48.3 | 0 | 0 | 112.1 | V368 H372 N376 S377 H382 L383 L384 | V368-Q380 HydrophobicContact CG1-CB 4.28Å; H372-Q380 PolarHBondContact O-NE2 3.43Å; N376-Q380 PolarHBondContact O-N 2.84Å; N376-Q380 VanDerWaalsContact O-N 3.15Å; S377-Q380 PolarHBondContact O-N 3.43Å; Q380-H382 VanDerWaalsContact C-N 3.35Å; Q380-H382 PolarHBondContact O-N 2.71Å; Q380-L383 PolarHBondContact O-N 3.08Å; Q380-L384 VanDerWaalsContact O-CB 3.31Å; Q380-L384 WeakPolarHBondContact O-CB 3.44Å; Q380-L384 PolarHBondContact O-N 3.34Å |
| 381 | M | 90.4 | Very high | 87 | Confident | 34 Ų | 34 | 70.3 Ų | 70.3 | 17% | 0.167 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 175.8 | -61.7 | -58.9 | 92.9 | 0 | 0 | 112.3 | K365 V368 L369 S377 Y379 L384 K385 | K365-M381 HydrophobicContact CB-CE 4.41Å; K365-M381 HydrophobicContact CB-SD 3.74Å; K365-M381 HydrophobicContact CD-SD 4.46Å; K365-M381 HydrophobicContact CG-SD 3.61Å; V368-M381 HydrophobicContact CG1-CE 4.3Å; L369-M381 HydrophobicContact CD1-CE 4.21Å; L369-M381 HydrophobicContact CD1-SD 4.41Å; L369-M381 HydrophobicContact CD2-CE 3.83Å; L369-M381 HydrophobicContact CG-CE 3.71Å; S377-M381 WeakPolarHBondContact O-CG 3.45Å; S377-M381 PolarHBondContact O-N 3.48Å; Y379-M381 VanDerWaalsContact C-N 3.32Å; Y379-M381 PolarHBondContact O-N 2.83Å; M381-L384 HydrophobicContact CE-CD2 4.44Å; M381-K385 WeakPolarHBondContact O-CB 3.3Å; M381-K385 PolarHBondContact O-N 2.9Å |
| 382 | H | 89.9 | Confident | 87.3 | Confident | 111 Ų | 111 | 70.2 Ų | 70.2 | 51% | 0.514 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.5 | -35.9 | 174.8 | -173.9 | 68.4 | 0 | 0 | 0 | 112.8 | N378 Y379 Q380 K386 | N378-H382 WeakPolarHBondContact O-CB 3.17Å; N378-H382 PolarHBondContact O-N 3.27Å; N378-H382 VanDerWaalsContact O-N 3.13Å; Y379-H382 PolarHBondContact O-N 3.27Å; Q380-H382 VanDerWaalsContact C-N 3.35Å; Q380-H382 PolarHBondContact O-N 2.71Å; H382-K386 PolarHBondContact O-N 2.82Å |
| 383 | L | 90.9 | Very high | 87.7 | Confident | 58 Ų | 58 | 73.9 Ų | 73.9 | 30% | 0.304 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.1 | -49.2 | 173.7 | -176.2 | 60.7 | 0 | 0 | 0 | 110.4 | L259 Y379 Q380 K385 K386 T387 | L259-L383 HydrophobicContact CD2-CD2 4.44Å; L259-L383 HydrophobicContact CD2-CG 4.07Å; Y379-L383 HydrophobicContact CE1-CD2 4.29Å; Y379-L383 WeakPolarHBondContact O-CB 3.46Å; Y379-L383 PolarHBondContact O-N 3.46Å; Q380-L383 PolarHBondContact O-N 3.08Å; L383-K385 VanDerWaalsContact C-N 3.33Å; L383-K385 PolarHBondContact O-N 3.05Å; L383-K386 PolarHBondContact O-N 3.47Å; L383-K386 VanDerWaalsContact O-N 3.12Å; L383-T387 WeakPolarHBondContact O-CB 3.36Å; L383-T387 PolarHBondContact O-N 2.94Å; L383-T387 PolarHBondContact O-OG1 3.15Å |
| 384 | L | 91.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55.3 | -44.9 | 174.3 | 179.8 | 58.5 | 0 | 0 | 0 | 112 | L259 L263 L364 K365 V368 Q380 M381 K386 T387 L388 F405 | L259-L384 HydrophobicContact CD2-CB 3.93Å; L259-L384 HydrophobicContact CD2-CD1 4.09Å; L263-L384 HydrophobicContact CD2-CD1 4.01Å; L364-L384 HydrophobicContact CB-CD2 4.24Å; K365-L384 HydrophobicContact CG-CD2 4.06Å; V368-L384 HydrophobicContact CB-CD2 4.49Å; V368-L384 HydrophobicContact CG2-CD1 4.34Å; V368-L384 HydrophobicContact CG2-CD2 4.27Å; Q380-L384 VanDerWaalsContact O-CB 3.31Å; Q380-L384 WeakPolarHBondContact O-CB 3.44Å; Q380-L384 PolarHBondContact O-N 3.34Å; M381-L384 HydrophobicContact CE-CD2 4.44Å; L384-K386 PolarHBondContact O-N 3.29Å; L384-T387 PolarHBondContact O-N 2.93Å; L384-L388 HydrophobicContact CD1-CD1 4.36Å; L384-L388 HydrophobicContact CD1-CD2 4.49Å; L384-L388 HydrophobicContact CD1-CG 4.11Å; L384-L388 WeakPolarHBondContact O-CG 3.48Å; L384-L388 PolarHBondContact O-N 2.99Å; L384-F405 HydrophobicContact CB-CZ 4.31Å; L384-F405 HydrophobicContact CD2-CZ 4.18Å; L384-F405 HydrophobicContact CG-CE2 4.08Å; L384-F405 HydrophobicContact CG-CZ 4.07Å |
| 385 | K | 92.6 | Very high | 89.1 | Confident | 78 Ų | 78 | 70 Ų | 70 | 34% | 0.339 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 174.8 | -178.5 | 170 | -179.2 | 173.9 | 0 | 112.4 | M381 L383 T387 Q389 F405 | M381-K385 WeakPolarHBondContact O-CB 3.3Å; M381-K385 PolarHBondContact O-N 2.9Å; L383-K385 VanDerWaalsContact C-N 3.33Å; L383-K385 PolarHBondContact O-N 3.05Å; K385-T387 VanDerWaalsContact C-N 3.34Å; K385-Q389 WeakPolarHBondContact O-CB 3.33Å; K385-Q389 WeakPolarHBondContact O-CG 3.36Å; K385-Q389 PolarHBondContact O-N 3.36Å; K385-F405 VanDerWaalsContact CA-CE2 3.42Å; K385-F405 HydrophobicContact CB-CD1 3.98Å; K385-F405 HydrophobicContact CB-CD2 3.7Å; K385-F405 HydrophobicContact CB-CE1 3.98Å; K385-F405 HydrophobicContact CB-CE2 3.71Å; K385-F405 HydrophobicContact CB-CG 3.84Å; K385-F405 HydrophobicContact CB-CZ 3.85Å; K385-F405 HydrophobicContact CD-CB 3.78Å; K385-F405 HydrophobicContact CD-CD1 3.89Å; K385-F405 HydrophobicContact CD-CD2 4.44Å; K385-F405 HydrophobicContact CD-CG 3.79Å; K385-F405 HydrophobicContact CG-CB 3.92Å; K385-F405 HydrophobicContact CG-CD1 4.12Å; K385-F405 HydrophobicContact CG-CD2 3.82Å; K385-F405 HydrophobicContact CG-CE2 4.36Å; K385-F405 HydrophobicContact CG-CG 3.68Å |
| 386 | K | 92.7 | Very high | 90 | Very high | 119 Ų | 119 | 64.3 Ų | 64.3 | 52% | 0.517 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 176.4 | -81.1 | 170.9 | 162.7 | 166 | 0 | 112.2 | H382 L383 L384 K390 | H382-K386 PolarHBondContact O-N 2.82Å; L383-K386 PolarHBondContact O-N 3.47Å; L383-K386 VanDerWaalsContact O-N 3.12Å; L384-K386 PolarHBondContact O-N 3.29Å; K386-K390 WeakPolarHBondContact O-CB 3.27Å; K386-K390 PolarHBondContact O-N 3.46Å; K386-K390 VanDerWaalsContact O-N 3.1Å |
| 387 | T | 92.3 | Very high | 90.5 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.8 | -52 | 179.3 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | L259 E260 L263 L383 L384 K385 Q389 K390 C391 | L259-T387 HydrophobicContact CB-CG2 4.18Å; L259-T387 HydrophobicContact CG-CG2 4.19Å; E260-T387 HydrophobicContact CB-CG2 4.4Å; E260-T387 HydrophobicContact CG-CG2 3.71Å; L263-T387 HydrophobicContact CD1-CG2 3.47Å; L263-T387 VanDerWaalsContact CD1-CG2 3.47Å; L383-T387 WeakPolarHBondContact O-CB 3.36Å; L383-T387 PolarHBondContact O-N 2.94Å; L383-T387 PolarHBondContact O-OG1 3.15Å; L384-T387 PolarHBondContact O-N 2.93Å; K385-T387 VanDerWaalsContact C-N 3.34Å; T387-Q389 VanDerWaalsContact C-N 3.34Å; T387-Q389 PolarHBondContact O-N 3.18Å; T387-K390 WeakPolarHBondContact O-CA 3.38Å; T387-K390 WeakPolarHBondContact O-CB 3.41Å; T387-K390 PolarHBondContact O-N 2.91Å; T387-C391 PolarHBondContact O-N 3.15Å; T387-C391 PolarHBondContact O-SG 2.8Å |
| 388 | L | 92.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 177.7 | -67.8 | -177.8 | 0 | 0 | 0 | 111.5 | L263 T361 L364 L384 K390 C391 E392 M397 F405 F409 | L263-L388 HydrophobicContact CD1-CD2 3.82Å; L263-L388 HydrophobicContact CD2-CD2 3.97Å; T361-L388 HydrophobicContact CG2-CD1 4.31Å; L364-L388 HydrophobicContact CD1-CD1 4.28Å; L364-L388 HydrophobicContact CD1-CD2 4.33Å; L384-L388 HydrophobicContact CD1-CD1 4.36Å; L384-L388 HydrophobicContact CD1-CD2 4.49Å; L384-L388 HydrophobicContact CD1-CG 4.11Å; L384-L388 WeakPolarHBondContact O-CG 3.48Å; L384-L388 PolarHBondContact O-N 2.99Å; L388-K390 PolarHBondContact O-N 2.82Å; L388-C391 PolarHBondContact O-N 2.76Å; L388-C391 VanDerWaalsContact O-N 3.14Å; L388-E392 VanDerWaalsContact O-CB 3.27Å; L388-E392 WeakPolarHBondContact O-CB 3.32Å; L388-E392 PolarHBondContact O-N 2.96Å; L388-M397 HydrophobicContact CD2-CE 3.5Å; L388-M397 HydrophobicContact CD2-SD 4.08Å; L388-F405 HydrophobicContact CD1-CD2 4.3Å; L388-F405 HydrophobicContact CD1-CE2 3.97Å; L388-F409 HydrophobicContact CB-CE1 4.42Å; L388-F409 HydrophobicContact CD1-CD2 4.3Å; L388-F409 HydrophobicContact CD1-CE2 4.16Å; L388-F409 HydrophobicContact CD1-CZ 4.38Å |
| 389 | Q | 92.4 | Very high | 91 | Very high | 72 Ų | 72 | 57.1 Ų | 57.1 | 34% | 0.336 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.1 | -23.8 | 176.1 | -72.7 | -175.7 | -25.3 | 0 | 0 | 114 | K385 T387 K393 | K385-Q389 WeakPolarHBondContact O-CB 3.33Å; K385-Q389 WeakPolarHBondContact O-CG 3.36Å; K385-Q389 PolarHBondContact O-N 3.36Å; T387-Q389 VanDerWaalsContact C-N 3.34Å; T387-Q389 PolarHBondContact O-N 3.18Å; Q389-K393 WeakPolarHBondContact O-CB 3.27Å; Q389-K393 VanDerWaalsContact O-CD 3.27Å; Q389-K393 WeakPolarHBondContact O-CD 3.46Å; Q389-K393 WeakPolarHBondContact O-CG 3.28Å; Q389-K393 PolarHBondContact O-N 3.18Å |
| 390 | K | 91.9 | Very high | 91.3 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 38% | 0.378 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -80.2 | -44 | 173.6 | -168.6 | -162 | -174.8 | -165.3 | 0 | 110.9 | E260 K386 T387 L388 K393 N394 | E260-K390 HydrophobicContact CG-CD 4.46Å; E260-K390 WeakPolarHBondContact OE1-CD 3.42Å; E260-K390 IonicContact OE1-NZ 3.84Å; E260-K390 PolarHBondContact OE1-NZ 3.01Å; E260-K390 IonicContact OE2-NZ 2.74Å; E260-K390 PolarHBondContact OE2-NZ 3.4Å; K386-K390 WeakPolarHBondContact O-CB 3.27Å; K386-K390 PolarHBondContact O-N 3.46Å; K386-K390 VanDerWaalsContact O-N 3.1Å; T387-K390 WeakPolarHBondContact O-CA 3.38Å; T387-K390 WeakPolarHBondContact O-CB 3.41Å; T387-K390 PolarHBondContact O-N 2.91Å; L388-K390 PolarHBondContact O-N 2.82Å; K390-K393 PolarHBondContact O-N 3.02Å; K390-N394 WeakPolarHBondContact O-CB 3.36Å; K390-N394 PolarHBondContact O-N 3.31Å; K390-N394 PolarHBondContact O-OD1 2.9Å |
| 391 | C | 91.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 178 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | T387 L388 N394 G395 W396 M397 | T387-C391 PolarHBondContact O-N 3.15Å; T387-C391 PolarHBondContact O-SG 2.8Å; L388-C391 PolarHBondContact O-N 2.76Å; L388-C391 VanDerWaalsContact O-N 3.14Å; C391-N394 PolarHBondContact O-N 3.4Å; C391-G395 PolarHBondContact O-N 2.9Å; C391-W396 HydrophobicContact CB-CB 4.19Å; C391-W396 HydrophobicContact CB-CE3 4.21Å; C391-W396 WeakPolarHBondContact O-CB 3.49Å; C391-W396 PolarHBondContact O-N 3.17Å; C391-M397 HydrophobicContact CB-CB 4.14Å; C391-M397 HydrophobicContact CB-CG 3.81Å; C391-M397 HydrophobicContact CB-SD 3.43Å; C391-M397 WeakPolarHBondContact CB-SD 3.17Å; C391-M397 PolarHBondContact O-N 2.92Å |
| 392 | E | 91.3 | Very high | 91.4 | Very high | 77 Ų | 77 | 56.8 Ų | 56.8 | 36% | 0.36 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -53.6 | -57.4 | 169.7 | -177.3 | -167.1 | 173.7 | 0 | 0 | 111.3 | L388 N394 G395 M397 | L388-E392 VanDerWaalsContact O-CB 3.27Å; L388-E392 WeakPolarHBondContact O-CB 3.32Å; L388-E392 PolarHBondContact O-N 2.96Å; E392-N394 VanDerWaalsContact C-N 3.25Å; E392-N394 PolarHBondContact O-N 2.98Å; E392-G395 WeakPolarHBondContact O-CA 3.25Å; E392-G395 PolarHBondContact O-N 3.42Å; E392-M397 WeakPolarHBondContact CA-O 3.45Å |
| 393 | K | 90.6 | Very high | 91.1 | Very high | 144 Ų | 144 | 60.6 Ų | 60.6 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.8 | -25.3 | 179.6 | -72.2 | 172 | -172.4 | 177.1 | 0 | 114.4 | Q389 K390 G395 | Q389-K393 WeakPolarHBondContact O-CB 3.27Å; Q389-K393 VanDerWaalsContact O-CD 3.27Å; Q389-K393 WeakPolarHBondContact O-CD 3.46Å; Q389-K393 WeakPolarHBondContact O-CG 3.28Å; Q389-K393 PolarHBondContact O-N 3.18Å; K390-K393 PolarHBondContact O-N 3.02Å; K393-G395 VanDerWaalsContact C-N 3.29Å |
| 394 | N | 88.6 | Confident | 90.7 | Very high | 43 Ų | 43 | 59.5 Ų | 59.5 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -11.5 | 173.2 | -70.2 | -9.7 | 0 | 0 | 0 | 113 | T132 K390 C391 E392 W396 | T132-N394 PolarHBondContact N-O 3.42Å; K390-N394 WeakPolarHBondContact O-CB 3.36Å; K390-N394 PolarHBondContact O-N 3.31Å; K390-N394 PolarHBondContact O-OD1 2.9Å; C391-N394 PolarHBondContact O-N 3.4Å; E392-N394 VanDerWaalsContact C-N 3.25Å; E392-N394 PolarHBondContact O-N 2.98Å; N394-W396 VanDerWaalsContact C-N 3.33Å; N394-W396 HydrophobicContact CB-CD2 3.73Å; N394-W396 HydrophobicContact CB-CE3 4.45Å; N394-W396 HydrophobicContact CB-CG 3.79Å; N394-W396 HydrophobicContact CB-CZ2 4.26Å; N394-W396 VanDerWaalsContact ND2-CH2 3.35Å; N394-W396 WeakPolarHBondContact ND2-CH2 3.39Å; N394-W396 VanDerWaalsContact ND2-CZ2 3.26Å; N394-W396 WeakPolarHBondContact ND2-CZ2 3.29Å |
| 395 | G | 89.4 | Confident | 90.4 | Very high | 9 Ų | 9 | 61.6 Ų | 61.6 | 9% | 0.093 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 19.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114 | C391 E392 K393 C412 F413 | C391-G395 PolarHBondContact O-N 2.9Å; E392-G395 WeakPolarHBondContact O-CA 3.25Å; E392-G395 PolarHBondContact O-N 3.42Å; K393-G395 VanDerWaalsContact C-N 3.29Å; G395-C412 WeakPolarHBondContact O-CB 3.48Å; G395-F413 WeakPolarHBondContact O-CE2 3.39Å |
| 396 | W | 91.1 | Very high | 90.1 | Very high | 28 Ų | 28 | 60.3 Ų | 60.3 | 11% | 0.106 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -80 | -27.8 | 178 | -61 | -11.1 | 0 | 0 | 0 | 112.7 | T132 P134 W136 E260 C391 N394 C412 | T132-W396 PolarHBondContact O-NE1 2.85Å; P134-W396 HydrophobicContact CB-CD2 3.78Å; P134-W396 HydrophobicContact CB-CE3 4.31Å; P134-W396 HydrophobicContact CB-CG 3.98Å; P134-W396 HydrophobicContact CB-CZ2 4.17Å; P134-W396 HydrophobicContact CG-CB 4.38Å; P134-W396 HydrophobicContact CG-CD2 4.28Å; P134-W396 HydrophobicContact CG-CG 3.92Å; W136-W396 HydrophobicContact CZ2-CB 4.29Å; E260-W396 HydrophobicContact CB-CZ3 4.43Å; C391-W396 HydrophobicContact CB-CB 4.19Å; C391-W396 HydrophobicContact CB-CE3 4.21Å; C391-W396 WeakPolarHBondContact O-CB 3.49Å; C391-W396 PolarHBondContact O-N 3.17Å; N394-W396 VanDerWaalsContact C-N 3.33Å; N394-W396 HydrophobicContact CB-CD2 3.73Å; N394-W396 HydrophobicContact CB-CE3 4.45Å; N394-W396 HydrophobicContact CB-CG 3.79Å; N394-W396 HydrophobicContact CB-CZ2 4.26Å; N394-W396 VanDerWaalsContact ND2-CH2 3.35Å; N394-W396 WeakPolarHBondContact ND2-CH2 3.39Å; N394-W396 VanDerWaalsContact ND2-CZ2 3.26Å; N394-W396 WeakPolarHBondContact ND2-CZ2 3.29Å; W396-C412 WeakPolarHBondContact O-CB 3.34Å; W396-C412 PolarHBondContact O-N 3.37Å |
| 397 | M | 92.2 | Very high | 90 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.025 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 158.2 | -176.9 | -60.8 | 174.9 | 64.9 | 0 | 0 | 109.3 | L263 F267 L388 C391 E392 F409 Q410 L411 C412 | L263-M397 HydrophobicContact CD1-SD 4.12Å; F267-M397 HydrophobicContact CD2-CE 4.39Å; F267-M397 HydrophobicContact CE1-CE 4.07Å; F267-M397 HydrophobicContact CE2-CE 3.38Å; F267-M397 HydrophobicContact CZ-CE 3.18Å; L388-M397 HydrophobicContact CD2-CE 3.5Å; L388-M397 HydrophobicContact CD2-SD 4.08Å; C391-M397 HydrophobicContact CB-CB 4.14Å; C391-M397 HydrophobicContact CB-CG 3.81Å; C391-M397 HydrophobicContact CB-SD 3.43Å; C391-M397 WeakPolarHBondContact CB-SD 3.17Å; C391-M397 PolarHBondContact O-N 2.92Å; E392-M397 WeakPolarHBondContact CA-O 3.45Å; M397-F409 HydrophobicContact CE-CB 4.14Å; M397-Q410 CarbonylContact C-O 3.29Å; M397-Q410 WeakPolarHBondContact CA-O 3.48Å; M397-Q410 WeakPolarHBondContact CB-O 3.48Å; M397-L411 HydrophobicContact CE-CD2 4.23Å; M397-L411 HydrophobicContact CG-CD2 3.95Å; M397-L411 HydrophobicContact SD-CD2 4.32Å; M397-C412 VanDerWaalsContact CA-SG 3.56Å |
| 398 | E | 92.2 | Very high | 90.1 | Very high | 101 Ų | 101 | 57.7 Ų | 57.7 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 139.5 | -177.4 | -169.9 | 152.6 | -165.2 | 0 | 0 | 109.4 | I400 F409 Q410 | E398-I400 HydrophobicContact CB-CD1 4.44Å; E398-I400 HydrophobicContact CG-CD1 4.21Å; E398-F409 CarbonylContact O-C 3.48Å; E398-F409 WeakPolarHBondContact O-CA 3.37Å; E398-Q410 PolarHBondContact N-O 3.34Å; E398-Q410 PolarHBondContact O-N 2.97Å |
| 399 | Q | 93.4 | Very high | 90.2 | Very high | 48 Ų | 48 | 57.7 Ų | 57.7 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 106.7 | 176.1 | -179.7 | 160.7 | 38.9 | 0 | 0 | 108.5 | S401 G404 S406 F409 | Q399-S401 WeakPolarHBondContact CG-O 3.48Å; Q399-S401 PolarHBondContact NE2-O 3Å; Q399-G404 PolarHBondContact NE2-O 3.37Å; Q399-G404 PolarHBondContact OE1-O 3.49Å; Q399-S406 PolarHBondContact NE2-O 3.38Å; Q399-F409 HydrophobicContact CB-CD1 4.14Å; Q399-F409 HydrophobicContact CB-CE1 3.78Å; Q399-F409 HydrophobicContact CB-CZ 4.01Å; Q399-F409 HydrophobicContact CG-CE1 4.31Å; Q399-F409 HydrophobicContact CG-CE2 4.28Å; Q399-F409 HydrophobicContact CG-CZ 4.04Å |
| 400 | I | 92.8 | Very high | 90.2 | Very high | 92 Ų | 92 | 56.9 Ų | 56.9 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -30.7 | -177.4 | -55.1 | -58.9 | 0 | 0 | 0 | 111 | E398 T408 Q410 | E398-I400 HydrophobicContact CB-CD1 4.44Å; E398-I400 HydrophobicContact CG-CD1 4.21Å; I400-T408 PolarHBondContact N-O 3.32Å; I400-Q410 HydrophobicContact CD1-CB 3.92Å; I400-Q410 HydrophobicContact CG1-CB 3.61Å |
| 401 | S | 91.9 | Very high | 90.3 | Very high | 69 Ų | 69 | 53.3 Ų | 53.3 | 48% | 0.483 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 161.1 | 177.3 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | Q399 G407 T408 | Q399-S401 WeakPolarHBondContact CG-O 3.48Å; Q399-S401 PolarHBondContact NE2-O 3Å; S401-G407 CarbonylContact O-C 3.56Å; S401-G407 WeakPolarHBondContact O-CA 3.46Å; S401-T408 WeakPolarHBondContact CB-OG1 3.35Å; S401-T408 PolarHBondContact N-O 2.65Å; S401-T408 PolarHBondContact N-OG1 3.09Å; S401-T408 PolarHBondContact O-N 2.96Å |
| 402 | G | 86.6 | Confident | 90.2 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 86.3 | -178.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 403 | K | 85.1 | Confident | 90.2 | Very high | 191 Ų | 191 | 52.8 Ų | 52.8 | 83% | 0.83 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -135.7 | 112.4 | -179.6 | -165.9 | 70.6 | 173.2 | -174.8 | 0 | 110 | S406 | K403-S406 PolarHBondContact N-OG 2.8Å; K403-S406 VanDerWaalsContact N-OG 3.14Å; K403-S406 PolarHBondContact O-OG 2.87Å |
| 404 | G | 83 | Confident | 90.2 | Very high | 34 Ų | 34 | 47.4 Ų | 47.4 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 74.5 | -125.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q399 S406 | Q399-G404 PolarHBondContact NE2-O 3.37Å; Q399-G404 PolarHBondContact OE1-O 3.49Å; G404-S406 VanDerWaalsContact C-N 3.26Å; G404-S406 PolarHBondContact O-N 3.03Å; G404-S406 VanDerWaalsContact O-N 3.11Å |
| 405 | F | 84 | Confident | 90.4 | Very high | 45 Ų | 45 | 46.6 Ų | 46.6 | 20% | 0.197 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -90.6 | 46.9 | -171.9 | -168.5 | -125.8 | 0 | 0 | 0 | 114 | K365 L384 K385 L388 | K365-F405 VanDerWaalsContact CE-CE1 3.49Å; K365-F405 HydrophobicContact CG-CZ 4.47Å; K365-F405 PolarHBondContact NZ-O 3.38Å; L384-F405 HydrophobicContact CB-CZ 4.31Å; L384-F405 HydrophobicContact CD2-CZ 4.18Å; L384-F405 HydrophobicContact CG-CE2 4.08Å; L384-F405 HydrophobicContact CG-CZ 4.07Å; K385-F405 VanDerWaalsContact CA-CE2 3.42Å; K385-F405 HydrophobicContact CB-CD1 3.98Å; K385-F405 HydrophobicContact CB-CD2 3.7Å; K385-F405 HydrophobicContact CB-CE1 3.98Å; K385-F405 HydrophobicContact CB-CE2 3.71Å; K385-F405 HydrophobicContact CB-CG 3.84Å; K385-F405 HydrophobicContact CB-CZ 3.85Å; K385-F405 HydrophobicContact CD-CB 3.78Å; K385-F405 HydrophobicContact CD-CD1 3.89Å; K385-F405 HydrophobicContact CD-CD2 4.44Å; K385-F405 HydrophobicContact CD-CG 3.79Å; K385-F405 HydrophobicContact CG-CB 3.92Å; K385-F405 HydrophobicContact CG-CD1 4.12Å; K385-F405 HydrophobicContact CG-CD2 3.82Å; K385-F405 HydrophobicContact CG-CE2 4.36Å; K385-F405 HydrophobicContact CG-CG 3.68Å; L388-F405 HydrophobicContact CD1-CD2 4.3Å; L388-F405 HydrophobicContact CD1-CE2 3.97Å |
| 406 | S | 87.6 | Confident | 90.5 | Very high | 50 Ų | 50 | 48.2 Ų | 48.2 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -144.4 | 175.3 | -177.9 | 62.7 | 0 | 0 | 0 | 0 | 111.1 | T361 Q399 K403 G404 | T361-S406 WeakPolarHBondContact OG1-CA 3.34Å; Q399-S406 PolarHBondContact NE2-O 3.38Å; K403-S406 PolarHBondContact N-OG 2.8Å; K403-S406 VanDerWaalsContact N-OG 3.14Å; K403-S406 PolarHBondContact O-OG 2.87Å; G404-S406 VanDerWaalsContact C-N 3.26Å; G404-S406 PolarHBondContact O-N 3.03Å; G404-S406 VanDerWaalsContact O-N 3.11Å |
| 407 | G | 90.6 | Very high | 90.6 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 28% | 0.278 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 69.2 | -145.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T361 S401 | T361-G407 WeakPolarHBondContact CG2-O 3.38Å; T361-G407 PolarHBondContact N-O 3.35Å; T361-G407 PolarHBondContact OG1-N 2.93Å; T361-G407 PolarHBondContact OG1-O 2.85Å; S401-G407 CarbonylContact O-C 3.56Å; S401-G407 WeakPolarHBondContact O-CA 3.46Å |
| 408 | T | 93.6 | Very high | 90.5 | Very high | 45 Ų | 45 | 48.8 Ų | 48.8 | 28% | 0.276 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 146.3 | -170.6 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | C359 I400 S401 | C359-T408 WeakPolarHBondContact O-CA 3.18Å; I400-T408 PolarHBondContact N-O 3.32Å; S401-T408 WeakPolarHBondContact CB-OG1 3.35Å; S401-T408 PolarHBondContact N-O 2.65Å; S401-T408 PolarHBondContact N-OG1 3.09Å; S401-T408 PolarHBondContact O-N 2.96Å |
| 409 | F | 94.2 | Very high | 90.4 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 159.1 | 176.3 | -75.9 | -101.5 | 0 | 0 | 0 | 109.8 | F267 T358 C359 T361 L388 M397 E398 Q399 | F267-F409 HydrophobicContact CE1-CB 4.26Å; F267-F409 WeakPolarHBondContact CE1-O 3.5Å; F267-F409 HydrophobicContact CZ-CB 3.77Å; T358-F409 CarbonylContact C-O 3.35Å; T358-F409 VanDerWaalsContact CA-O 3.3Å; T358-F409 WeakPolarHBondContact CA-O 3.41Å; C359-F409 PolarHBondContact N-O 3.02Å; C359-F409 PolarHBondContact O-N 3.08Å; T361-F409 HydrophobicContact CG2-CD2 3.66Å; T361-F409 HydrophobicContact CG2-CE2 3.48Å; T361-F409 VanDerWaalsContact CG2-CE2 3.48Å; L388-F409 HydrophobicContact CB-CE1 4.42Å; L388-F409 HydrophobicContact CD1-CD2 4.3Å; L388-F409 HydrophobicContact CD1-CE2 4.16Å; L388-F409 HydrophobicContact CD1-CZ 4.38Å; M397-F409 HydrophobicContact CE-CB 4.14Å; E398-F409 CarbonylContact O-C 3.48Å; E398-F409 WeakPolarHBondContact O-CA 3.37Å; Q399-F409 HydrophobicContact CB-CD1 4.14Å; Q399-F409 HydrophobicContact CB-CE1 3.78Å; Q399-F409 HydrophobicContact CB-CZ 4.01Å; Q399-F409 HydrophobicContact CG-CE1 4.31Å; Q399-F409 HydrophobicContact CG-CE2 4.28Å; Q399-F409 HydrophobicContact CG-CZ 4.04Å |
| 410 | Q | 93.8 | Very high | 90 | Very high | 55 Ų | 55 | 45 Ų | 45 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149.2 | 176.4 | 179.8 | 169.6 | -38.9 | 0 | 0 | 110.5 | P356 K357 T358 M397 E398 I400 | P356-Q410 HydrophobicContact CB-CG 4.37Å; K357-Q410 WeakPolarHBondContact O-CA 3.29Å; T358-Q410 HydrophobicContact CG2-CB 4.16Å; T358-Q410 HydrophobicContact CG2-CG 4.09Å; M397-Q410 CarbonylContact C-O 3.29Å; M397-Q410 WeakPolarHBondContact CA-O 3.48Å; M397-Q410 WeakPolarHBondContact CB-O 3.48Å; E398-Q410 PolarHBondContact N-O 3.34Å; E398-Q410 PolarHBondContact O-N 2.97Å; I400-Q410 HydrophobicContact CD1-CB 3.92Å; I400-Q410 HydrophobicContact CG1-CB 3.61Å |
| 411 | L | 92.6 | Very high | 89.8 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 128.6 | 170 | -56.6 | -173.5 | 0 | 0 | 0 | 110.6 | W136 P264 F267 K357 M397 F413 | W136-L411 HydrophobicContact CH2-CB 4.41Å; W136-L411 HydrophobicContact CH2-CD1 4.36Å; W136-L411 HydrophobicContact CH2-CD2 4.22Å; W136-L411 HydrophobicContact CZ3-CD1 4.35Å; P264-L411 HydrophobicContact CB-CD1 4.3Å; F267-L411 HydrophobicContact CB-CD1 4.01Å; F267-L411 HydrophobicContact CB-CD2 4.29Å; F267-L411 HydrophobicContact CB-CG 4.16Å; F267-L411 HydrophobicContact CD1-CD1 4.45Å; F267-L411 HydrophobicContact CD1-CD2 3.73Å; F267-L411 HydrophobicContact CD1-CG 3.69Å; F267-L411 HydrophobicContact CD2-CD2 4.19Å; F267-L411 HydrophobicContact CE1-CD2 4.04Å; F267-L411 HydrophobicContact CE1-CG 4.29Å; F267-L411 HydrophobicContact CE2-CD2 4.47Å; F267-L411 HydrophobicContact CG-CD1 4.38Å; F267-L411 HydrophobicContact CG-CD2 3.81Å; F267-L411 HydrophobicContact CG-CG 4Å; F267-L411 HydrophobicContact CZ-CD2 4.41Å; K357-L411 HydrophobicContact CB-CB 4.42Å; K357-L411 HydrophobicContact CB-CD1 3.97Å; K357-L411 HydrophobicContact CB-CG 4.07Å; K357-L411 HydrophobicContact CD-CD1 3.98Å; K357-L411 PolarHBondContact O-N 2.9Å; M397-L411 HydrophobicContact CE-CD2 4.23Å; M397-L411 HydrophobicContact CG-CD2 3.95Å; M397-L411 HydrophobicContact SD-CD2 4.32Å; L411-F413 VanDerWaalsContact C-N 3.29Å |
| 412 | C | 90.9 | Very high | 89.5 | Confident | 40 Ų | 40 | 40.3 Ų | 40.3 | 27% | 0.27 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -81 | -8.3 | 176.9 | -63.5 | 0 | 0 | 0 | 0 | 113.9 | G395 W396 M397 | G395-C412 WeakPolarHBondContact O-CB 3.48Å; W396-C412 WeakPolarHBondContact O-CB 3.34Å; W396-C412 PolarHBondContact O-N 3.37Å; M397-C412 VanDerWaalsContact CA-SG 3.56Å |
| 413 | F | 90.4 | Very high | 89.3 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -130.3 | 138.3 | -176.4 | -71.2 | -85.8 | 0 | 0 | 0 | 110 | K131 I133 P134 W136 A137 L139 G395 L411 | K131-F413 HydrophobicContact CB-CZ 4.37Å; I133-F413 HydrophobicContact CG2-CD1 4.44Å; I133-F413 HydrophobicContact CG2-CE1 4.18Å; P134-F413 VanDerWaalsContact CD-CD2 3.48Å; P134-F413 HydrophobicContact CG-CB 4.38Å; P134-F413 HydrophobicContact CG-CD2 3.79Å; P134-F413 HydrophobicContact CG-CE2 4.28Å; P134-F413 HydrophobicContact CG-CG 4.12Å; W136-F413 HydrophobicContact CH2-CB 4.15Å; W136-F413 HydrophobicContact CZ3-CB 3.97Å; A137-F413 HydrophobicContact CB-CB 3.81Å; A137-F413 HydrophobicContact CB-CD1 4.15Å; A137-F413 HydrophobicContact CB-CG 4.15Å; L139-F413 HydrophobicContact CD1-CD1 4Å; L139-F413 HydrophobicContact CD1-CE1 4.2Å; L139-F413 HydrophobicContact CG-CD1 4.44Å; G395-F413 WeakPolarHBondContact O-CE2 3.39Å; L411-F413 VanDerWaalsContact C-N 3.29Å |
| 414 | P | 90.6 | Very high | 89.1 | Confident | 31 Ų | 31 | 35.7 Ų | 35.7 | 20% | 0.201 | 23% | 0.226 | C | C | . | . | trans | -52 | 142.3 | 170.1 | -31.1 | 38 | 0 | 0 | 0 | 113.1 | A137 T138 L139 E355 Y416 | A137-P414 CarbonylContact C-O 3.32Å; A137-P414 WeakPolarHBondContact CA-O 3.21Å; T138-P414 PolarHBondContact N-O 3.5Å; L139-P414 HydrophobicContact CD2-CG 4.22Å; E355-P414 WeakPolarHBondContact OE1-CB 3.5Å; P414-Y416 HydrophobicContact CB-CE1 4.33Å; P414-Y416 HydrophobicContact CB-CE2 4.08Å | ||
| 415 | Y | 92 | Very high | 88.5 | Confident | 26 Ų | 26 | 42.1 Ų | 42.1 | 10% | 0.102 | 25% | 0.245 | C | C | . | . | trans | -143.5 | 116.6 | 174.5 | -179.6 | -119.2 | 0 | 0 | 0 | 108.9 | W136 T138 P264 L265 T268 K357 P417 | W136-Y415 HydrophobicContact CB-CD2 4.35Å; W136-Y415 HydrophobicContact CB-CE2 4.22Å; W136-Y415 HydrophobicContact CE3-CD2 4.09Å; W136-Y415 HydrophobicContact CE3-CG 4.28Å; W136-Y415 VanDerWaalsContact O-CD2 3.31Å; W136-Y415 WeakPolarHBondContact O-CD2 3.24Å; T138-Y415 WeakPolarHBondContact OG1-CA 3.37Å; P264-Y415 VanDerWaalsContact C-CE1 3.45Å; P264-Y415 HydrophobicContact CB-CD1 3.46Å; P264-Y415 VanDerWaalsContact CB-CD1 3.46Å; P264-Y415 HydrophobicContact CB-CD2 4.08Å; P264-Y415 HydrophobicContact CB-CE1 3.59Å; P264-Y415 HydrophobicContact CB-CE2 4.18Å; P264-Y415 HydrophobicContact CB-CG 3.72Å; P264-Y415 WeakPolarHBondContact O-CD1 3.3Å; L265-Y415 HydrophobicContact CB-CE1 4.39Å; T268-Y415 WeakPolarHBondContact OG1-CD1 3.47Å; K357-Y415 WeakPolarHBondContact CE-O 3.13Å; K357-Y415 PolarHBondContact NZ-O 2.88Å; Y415-P417 HydrophobicContact CD1-CG 4.14Å; Y415-P417 HydrophobicContact CE1-CB 3.88Å; Y415-P417 HydrophobicContact CE1-CG 3.67Å | ||
| 416 | Y | 92.3 | Very high | 87.1 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 17% | 0.169 | 28% | 0.277 | C | S | . | . | trans | -123.9 | 79.8 | -178.9 | -47.6 | -46.1 | 0 | 0 | 0 | 108.8 | T138 Y288 M353 E355 P414 | T138-Y416 HydrophobicContact CG2-CD2 3.83Å; T138-Y416 HydrophobicContact CG2-CG 4.33Å; T138-Y416 PolarHBondContact OG1-N 3.49Å; Y288-Y416 PolarHBondContact OH-O 3.11Å; M353-Y416 HydrophobicContact CE-CD1 3.59Å; M353-Y416 HydrophobicContact CE-CD2 3.93Å; M353-Y416 HydrophobicContact CE-CE1 3.52Å; M353-Y416 HydrophobicContact CE-CE2 3.88Å; M353-Y416 HydrophobicContact CE-CG 3.81Å; M353-Y416 HydrophobicContact SD-CD1 3.45Å; M353-Y416 WeakPolarHBondContact SD-CD1 3.49Å; M353-Y416 HydrophobicContact SD-CD2 4.17Å; M353-Y416 HydrophobicContact SD-CE1 4.02Å; M353-Y416 HydrophobicContact SD-CG 3.55Å; M353-Y416 VanDerWaalsContact SD-CG 3.55Å; E355-Y416 HydrophobicContact CG-CE1 4.39Å; E355-Y416 WeakPolarHBondContact OE1-CE1 3.22Å; E355-Y416 VanDerWaalsContact OE1-CZ 3.24Å; E355-Y416 PolarHBondContact OE1-OH 3.17Å; E355-Y416 PolarHBondContact OE2-OH 2.78Å; P414-Y416 HydrophobicContact CB-CE1 4.33Å; P414-Y416 HydrophobicContact CB-CE2 4.08Å | ||
| 417 | P | 92.1 | Very high | 84.7 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.032 | 29% | 0.29 | C | S | . | . | trans | -63.1 | 145 | -179 | 22.8 | -31.5 | 0 | 0 | 0 | 112 | T268 Y284 A352 Y415 V421 L422 | T268-P417 HydrophobicContact CG2-CG 3.98Å; Y284-P417 VanDerWaalsContact CE2-O 3.26Å; Y284-P417 WeakPolarHBondContact CE2-O 3.43Å; Y284-P417 PolarHBondContact OH-O 3.32Å; A352-P417 HydrophobicContact CB-CG 4.44Å; Y415-P417 HydrophobicContact CD1-CG 4.14Å; Y415-P417 HydrophobicContact CE1-CB 3.88Å; Y415-P417 HydrophobicContact CE1-CG 3.67Å; P417-V421 HydrophobicContact CB-CB 4.24Å; P417-V421 HydrophobicContact CB-CG1 3.97Å; P417-L422 HydrophobicContact CB-CD2 4.33Å; P417-L422 HydrophobicContact CB-CG 4.19Å; P417-L422 HydrophobicContact CG-CD2 3.56Å; P417-L422 HydrophobicContact CG-CG 3.78Å | ||
| 418 | S | 90.9 | Very high | 82.6 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 28% | 0.28 | 30% | 0.304 | S | S | . | . | trans | -68 | 159.7 | 174.7 | 64.5 | 0 | 0 | 0 | 0 | 111.7 | G420 V421 L422 | S418-G420 VanDerWaalsContact C-N 3.28Å; S418-G420 PolarHBondContact O-N 2.98Å; S418-V421 PolarHBondContact O-N 3.11Å; S418-V421 WeakPolarHBondContact OG-CG2 3.34Å; S418-L422 PolarHBondContact O-N 2.77Å | ||
| 419 | P | 89.3 | Confident | 79.7 | Confident | 20 Ų | 20 | 61.3 Ų | 61.3 | 13% | 0.13 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57 | -37 | -175.1 | -29.2 | 36 | 0 | 0 | 0 | 114.5 | Y284 Y288 Y289 V421 L422 F423 | Y284-P419 HydrophobicContact CE1-CG 4.02Å; Y284-P419 VanDerWaalsContact OH-CD 3.27Å; Y284-P419 WeakPolarHBondContact OH-CD 3.29Å; Y288-P419 HydrophobicContact CG-CG 4.18Å; Y289-P419 HydrophobicContact CD2-CG 4.46Å; Y289-P419 HydrophobicContact CE2-CB 4.36Å; Y289-P419 HydrophobicContact CE2-CG 3.56Å; Y289-P419 WeakPolarHBondContact OH-CB 3.34Å; P419-V421 VanDerWaalsContact C-N 3.34Å; P419-L422 PolarHBondContact O-N 2.75Å; P419-F423 PolarHBondContact O-N 2.8Å |
| 420 | G | 86 | Confident | 77.1 | Confident | 50 Ų | 50 | 68.1 Ų | 68.1 | 52% | 0.515 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.7 | -17.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S418 P424 | S418-G420 VanDerWaalsContact C-N 3.28Å; S418-G420 PolarHBondContact O-N 2.98Å; G420-P424 WeakPolarHBondContact O-CA 3.09Å |
| 421 | V | 88.5 | Confident | 74.5 | Confident | 62 Ų | 62 | 69.4 Ų | 69.4 | 38% | 0.376 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -87.1 | -34.9 | 170.8 | 174 | 0 | 0 | 0 | 0 | 110.6 | L265 P417 S418 P419 | L265-V421 HydrophobicContact CD1-CG1 4.35Å; L265-V421 HydrophobicContact CD2-CG1 4.28Å; P417-V421 HydrophobicContact CB-CB 4.24Å; P417-V421 HydrophobicContact CB-CG1 3.97Å; S418-V421 PolarHBondContact O-N 3.11Å; S418-V421 WeakPolarHBondContact OG-CG2 3.34Å; P419-V421 VanDerWaalsContact C-N 3.34Å |
| 422 | L | 85.5 | Confident | 71.7 | Confident | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.005 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.3 | -59.9 | 169.5 | -84.2 | -176.3 | 0 | 0 | 0 | 111.1 | L265 T268 R269 S348 A351 A352 P417 S418 P419 P424 | L265-L422 HydrophobicContact CD1-CD2 4.25Å; T268-L422 HydrophobicContact CG2-CD2 3.66Å; R269-L422 PolarHBondContact NE-O 2.91Å; R269-L422 VanDerWaalsContact NE-O 3.08Å; R269-L422 PolarHBondContact NH2-O 2.9Å; S348-L422 VanDerWaalsContact O-CD1 3.27Å; S348-L422 WeakPolarHBondContact O-CD1 3.43Å; A351-L422 HydrophobicContact CB-CD1 3.97Å; A352-L422 HydrophobicContact CB-CD1 3.89Å; P417-L422 HydrophobicContact CB-CD2 4.33Å; P417-L422 HydrophobicContact CB-CG 4.19Å; P417-L422 HydrophobicContact CG-CD2 3.56Å; P417-L422 HydrophobicContact CG-CG 3.78Å; S418-L422 PolarHBondContact O-N 2.77Å; P419-L422 PolarHBondContact O-N 2.75Å; L422-P424 WeakPolarHBondContact O-CD 3.36Å |
| 423 | F | 83.3 | Confident | 69 | Low | 45 Ų | 45 | 85.7 Ų | 85.7 | 20% | 0.197 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -118.1 | 85.9 | -177 | -54.6 | -83.7 | 0 | 0 | 0 | 108.1 | Y344 L347 P419 K425 | Y344-F423 HydrophobicContact CE2-CD2 4.41Å; Y344-F423 VanDerWaalsContact OH-CB 3.3Å; Y344-F423 WeakPolarHBondContact OH-CB 3.26Å; L347-F423 HydrophobicContact CD2-CZ 4.22Å; L347-F423 HydrophobicContact CG-CZ 4.24Å; P419-F423 PolarHBondContact O-N 2.8Å; F423-K425 PolarHBondContact O-N 2.62Å |
| 424 | P | 80.1 | Confident | 66.4 | Low | 88 Ų | 88 | 93 Ų | 93 | 57% | 0.571 | 48% | 0.481 | S | S | * | . | trans | -53.3 | 130.6 | 164 | -22.6 | 33.2 | 0 | 0 | 0 | 108.4 | G420 L422 K426 | G420-P424 WeakPolarHBondContact O-CA 3.09Å; L422-P424 WeakPolarHBondContact O-CD 3.36Å; P424-K426 PolarHBondContact O-N 2.79Å | ||
| 425 | K | 69.4 | Low | 63.5 | Low | 169 Ų | 169 | 98.8 Ų | 98.8 | 74% | 0.735 | 51% | 0.51 | S | S | * | . | trans | -60 | 121.4 | 161.9 | -75.3 | -172.5 | 168.5 | -162 | 0 | 107.1 | F423 E427 | F423-K425 PolarHBondContact O-N 2.62Å; K425-E427 WeakPolarHBondContact CD-OE1 3.49Å; K425-E427 PolarHBondContact O-N 3.41Å | ||
| 426 | K | 55.3 | Low | 60.9 | Low | 201 Ų | 201 | 105.8 Ų | 105.8 | 87% | 0.874 | 54% | 0.544 | S | S | * | . | trans | -73.1 | 103.8 | 149 | -70 | -172.1 | 174.6 | -169.3 | 0 | 105.2 | P424 | P424-K426 PolarHBondContact O-N 2.79Š| ||
| 427 | E | 37.7 | Very low | 58 | Low | 133 Ų | 133 | 110.9 Ų | 110.9 | 62% | 0.621 | 57% | 0.574 | S | S | * | * | trans | -60.8 | 140.8 | 151.3 | -51.4 | -57.4 | 151.6 | 0 | 0 | 106.1 | K425 | K425-E427 WeakPolarHBondContact CD-OE1 3.49Å; K425-E427 PolarHBondContact O-N 3.41Å | ||
| 428 | P | 45.8 | Very low | 55.6 | Low | 88 Ų | 88 | 120 Ų | 120 | 57% | 0.571 | 62% | 0.616 | S | S | * | * | trans | -61.8 | 151.2 | 172.6 | 28.3 | -33.9 | 0 | 0 | 0 | 110.1 | D430 | P428-D430 WeakPolarHBondContact CG-OD1 3.5Å; P428-D430 PolarHBondContact O-N 3.14Å | ||
| 429 | D | 33 | Very low | 52.7 | Low | 148 Ų | 148 | 125.8 Ų | 125.8 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | trans | -88.9 | 81.4 | 174.2 | -157.3 | -13.9 | 0 | 0 | 0 | 107.3 | S431 | D429-S431 PolarHBondContact O-N 2.86Å; D429-S431 PolarHBondContact OD1-OG 3.17Å | ||
| 430 | D | 39.2 | Very low | 50.1 | Low | 147 Ų | 147 | 133.7 Ų | 133.7 | 79% | 0.786 | 68% | 0.679 | S | S | * | * | trans | -67.1 | 76.6 | -175.7 | -66.4 | -30.8 | 0 | 0 | 0 | 110.8 | P428 | P428-D430 WeakPolarHBondContact CG-OD1 3.5Å; P428-D430 PolarHBondContact O-N 3.14Å | ||
| 431 | S | 40 | Very low | 47.4 | Very low | 82 Ų | 82 | 136.9 Ų | 136.9 | 57% | 0.573 | 69% | 0.694 | S | S | * | * | trans | -151.4 | 43.7 | -179.2 | 58.6 | 0 | 0 | 0 | 0 | 114 | D429 | D429-S431 PolarHBondContact O-N 2.86Å; D429-S431 PolarHBondContact OD1-OG 3.17Å | ||
| 432 | R | 33.4 | Very low | 44.8 | Very low | 238 Ų | 238 | 139 Ų | 139 | 90% | 0.898 | 71% | 0.711 | S | S | * | * | trans | -141.1 | 92.4 | 158.5 | -68.9 | -165.3 | -177.9 | -143.8 | -4.2 | 110.9 | ||||
| 433 | D | 35.4 | Very low | 42.1 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | -68 | 174.1 | 142.7 | -51.1 | -76.3 | 0 | 0 | 0 | 108.8 | ||||
| 434 | E | 34.9 | Very low | 39.6 | Very low | 181 Ų | 181 | 155 Ų | 155 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 84.2 | 110.5 | -157.7 | -58.6 | 172.2 | -164.8 | 0 | 0 | 112.9 | ||||
| 435 | D | 30.5 | Very low | 37.3 | Very low | 151 Ų | 151 | 158.7 Ų | 158.7 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | cis | -165.2 | -165.5 | -21.9 | -107.1 | -32.5 | 0 | 0 | 0 | 107 | ||||
| 436 | E | 36.7 | Very low | 35.5 | Very low | 174 Ų | 174 | 155.2 Ų | 155.2 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -56.1 | 152.2 | 165.2 | -65.3 | 162.8 | 153.4 | 0 | 0 | 110.2 | ||||
| 437 | D | 30.3 | Very low | 34.4 | Very low | 150 Ų | 150 | 154.5 Ų | 154.5 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | -141.2 | 163.7 | 50.1 | -68 | -60.9 | 0 | 0 | 0 | 115.2 | |||||
| 438 | E | 42.5 | Very low | 34.2 | Very low | 195 Ų | 195 | 155 Ų | 155 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -88.4 | 122.5 | 162.5 | -64.5 | -179.5 | 139.3 | 0 | 0 | 109.8 | ||||
| 439 | D | 29.6 | Very low | 33.6 | Very low | 162 Ų | 162 | 158.9 Ų | 158.9 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -126 | 112.4 | 167.5 | -102.8 | -39 | 0 | 0 | 0 | 109.6 | ||||
| 440 | E | 35.5 | Very low | 33.8 | Very low | 186 Ų | 186 | 160.1 Ų | 160.1 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -75.1 | 139.1 | 169.7 | -67.7 | -170.4 | 126.6 | 0 | 0 | 110.2 | ||||
| 441 | S | 29.5 | Very low | 34.2 | Very low | 117 Ų | 117 | 158 Ų | 158 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -132.9 | 84.5 | 169.7 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 442 | S | 34.3 | Very low | 35 | Very low | 107 Ų | 107 | 159.3 Ų | 159.3 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | trans | -112.9 | 96.7 | 171.7 | 57.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 443 | E | 28.4 | Very low | 36 | Very low | 185 Ų | 185 | 152.5 Ų | 152.5 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -94.1 | 99.8 | 167.4 | -66.8 | -172.6 | 158.7 | 0 | 0 | 108.9 | ||||
| 444 | E | 30.9 | Very low | 36.1 | Very low | 197 Ų | 197 | 153.3 Ų | 153.3 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -127.1 | 166.2 | 157 | -79.4 | -160.9 | 171.6 | 0 | 0 | 109.7 | ||||
| 445 | D | 30.5 | Very low | 35.9 | Very low | 166 Ų | 166 | 154.2 Ų | 154.2 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -74.3 | 165.8 | -139.3 | -139.4 | -18.4 | 0 | 0 | 0 | 117.3 | ||||
| 446 | S | 32.1 | Very low | 36 | Very low | 96 Ų | 96 | 156 Ų | 156 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | -92 | 138.4 | 176.2 | 158.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 447 | E | 32.7 | Very low | 36 | Very low | 185 Ų | 185 | 154.5 Ų | 154.5 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | -175.9 | 166.3 | 126.9 | -103.3 | 169.8 | 175.8 | 0 | 0 | 114.4 | |||||
| 448 | D | 32.4 | Very low | 36.4 | Very low | 145 Ų | 145 | 154.6 Ų | 154.6 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | 78.1 | 96.8 | 160.7 | -106.2 | -142.9 | 0 | 0 | 0 | 124.3 | ||||
| 449 | E | 33.1 | Very low | 35.8 | Very low | 169 Ų | 169 | 153.8 Ų | 153.8 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | 73.2 | 101.7 | 121.6 | -155.5 | 148.8 | 115.4 | 0 | 0 | 123.9 | |||||
| 450 | E | 37 | Very low | 35.9 | Very low | 174 Ų | 174 | 155.7 Ų | 155.7 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 51.1 | 152.2 | 135.7 | -70.3 | -108.4 | 100.5 | 0 | 0 | 123.3 | ||||
| 451 | P | 47.8 | Very low | 36.1 | Very low | 103 Ų | 103 | 153 Ų | 153 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | trans | -124.7 | -127.1 | -139.5 | 29.6 | -4.3 | 0 | 0 | 0 | 116.8 | ||||
| 452 | P | 58.3 | Low | 37.4 | Very low | 109 Ų | 109 | 153 Ų | 153 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | -110.8 | -157.7 | -118.1 | 37.2 | -17.2 | 0 | 0 | 0 | 111.2 | |||||
| 453 | P | 54.3 | Low | 37.4 | Very low | 94 Ų | 94 | 152.1 Ų | 152.1 | 61% | 0.61 | 77% | 0.771 | S | S | * | * | cis | -159 | -164.7 | 15.8 | 38.5 | -11.2 | 0 | 0 | 0 | 120 | ||||
| 454 | K | 35.8 | Very low | 37.5 | Very low | 174 Ų | 174 | 153 Ų | 153 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | 102.5 | 119.4 | 139.4 | -82.6 | 159.6 | -164.5 | 154 | 0 | 121.4 | ||||
| 455 | R | 32.5 | Very low | 37.8 | Very low | 200 Ų | 200 | 148.7 Ų | 148.7 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 75.3 | 149 | 139.2 | -68.7 | 158.6 | 51.2 | 116.8 | -15.8 | 116.2 | ||||
| 456 | R | 31.1 | Very low | 38.7 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | cis | -162.5 | 131.1 | 13.7 | -140.6 | 168.3 | 58.3 | -168.1 | -6.7 | 113.3 | ||||
| 457 | L | 36.9 | Very low | 38.8 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | 10.6 | 115.2 | 128.8 | -90.2 | 158.1 | 0 | 0 | 0 | 118.4 | |||||
| 458 | Q | 38.3 | Very low | 38.9 | Very low | 153 Ų | 153 | 147 Ų | 147 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | 157.3 | 125.1 | 103.5 | -98.3 | 178.2 | 55.2 | 0 | 0 | 118.1 | |||||
| 459 | K | 31.3 | Very low | 39 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | 58.8 | 122 | 120 | -171.3 | -177.4 | -176.6 | 176.9 | 0 | 121.1 | |||||
| 460 | K | 31.5 | Very low | 39.1 | Very low | 202 Ų | 202 | 142.5 Ų | 142.5 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | -171.1 | 131.9 | 128.6 | -104.3 | 157.2 | -173.7 | 178.4 | 0 | 115.8 | |||||
| 461 | T | 39.6 | Very low | 38.8 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -129 | -171.5 | 151.6 | 58.5 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 462 | P | 56.3 | Low | 38.1 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | cis | -142.5 | -149 | 2.9 | 43.2 | -21 | 0 | 0 | 0 | 114.3 | ||||
| 463 | A | 34.2 | Very low | 37 | Very low | 87 Ų | 87 | 145.2 Ų | 145.2 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | trans | 89.7 | 145.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 464 | K | 31.1 | Very low | 36.1 | Very low | 205 Ų | 205 | 148.8 Ų | 148.8 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | cis | -158.4 | 177.3 | -11.7 | -131 | 175.6 | 178.3 | 176.1 | 0 | 112.8 | ||||
| 465 | S | 37.9 | Very low | 35.9 | Very low | 105 Ų | 105 | 152 Ų | 152 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -99.6 | -163.8 | -179.9 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 466 | P | 49.2 | Very low | 35.9 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | cis | -129.8 | -159.9 | -2.3 | 45.1 | -26.7 | 0 | 0 | 0 | 113.3 | ||||
| 467 | G | 33.9 | Very low | 36 | Very low | 70 Ų | 70 | 142.9 Ų | 142.9 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | 145.9 | 153.2 | -14.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 468 | K | 34.3 | Very low | 35.9 | Very low | 219 Ų | 219 | 145.8 Ų | 145.8 | 95% | 0.952 | 81% | 0.806 | S | S | * | * | trans | 73.7 | 148.6 | 178.5 | -92.5 | -180 | 178 | 176.7 | 0 | 118.1 | ||||
| 469 | A | 34.4 | Very low | 36 | Very low | 85 Ų | 85 | 143.5 Ų | 143.5 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | cis | -133.9 | -132.5 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 470 | T | 34.6 | Very low | 36.1 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | cis | -144.5 | -117.3 | 10.2 | -41.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 471 | S | 31 | Very low | 37 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -165.6 | 158.5 | -163.8 | 62.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 472 | V | 34.4 | Very low | 36.6 | Very low | 153 Ų | 153 | 141 Ų | 141 | 93% | 0.927 | 81% | 0.806 | S | S | * | * | trans | -173.8 | 171.7 | 144.2 | 141.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 473 | K | 34.3 | Very low | 35.4 | Very low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | -151.1 | 146.6 | -146.7 | -178.9 | -175 | -177.3 | 177.8 | 0 | 116.2 | ||||
| 474 | Q | 35.7 | Very low | 35.3 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | 142.2 | 127.4 | 147.7 | -78 | -176.9 | 22.9 | 0 | 0 | 112.7 | ||||
| 475 | R | 32.4 | Very low | 35.4 | Very low | 241 Ų | 241 | 137.9 Ų | 137.9 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | 56.7 | 134.2 | 81.7 | -68.1 | -172.5 | 173.7 | -164.8 | -1.7 | 115 | |||||
| 476 | G | 31 | Very low | 35.2 | Very low | 66 Ų | 66 | 137.5 Ų | 137.5 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | cis | 166 | 163.8 | -9.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 477 | S | 33.7 | Very low | 34.7 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | 70.5 | 143.5 | 163.9 | 48.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 478 | K | 34.6 | Very low | 34.6 | Very low | 202 Ų | 202 | 147.2 Ų | 147.2 | 88% | 0.878 | 82% | 0.816 | S | S | * | * | trans | -86 | 173.9 | 162.7 | -102.4 | 176.6 | 179.4 | 172.5 | 0 | 109.9 | ||||
| 479 | P | 41.2 | Very low | 34.4 | Very low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | cis | -154.9 | 173.6 | 34.7 | 42.3 | -19.8 | 0 | 0 | 0 | 121 | ||||
| 480 | T | 33 | Very low | 34.4 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | 66.5 | 159.6 | 148.4 | 43.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 481 | P | 50.6 | Low | 34.2 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -114.3 | 167.9 | -164.1 | 42.6 | -33.9 | 0 | 0 | 0 | 117.6 | ||||
| 482 | K | 31.1 | Very low | 34.3 | Very low | 203 Ų | 203 | 151.1 Ų | 151.1 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -155.1 | 170.1 | 171 | -78.6 | -175.9 | -177.4 | 173.7 | 0 | 109.8 | ||||
| 483 | V | 30.9 | Very low | 34.6 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | cis | -174.9 | 142.1 | -47 | 134.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 484 | S | 31.9 | Very low | 34.9 | Very low | 111 Ų | 111 | 147.7 Ų | 147.7 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -160.2 | 120.4 | 158.1 | 53.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 485 | A | 34.3 | Very low | 35.3 | Very low | 96 Ų | 96 | 145.2 Ų | 145.2 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | 70.6 | 128.5 | 57.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 486 | A | 33.2 | Very low | 35.4 | Very low | 97 Ų | 97 | 143.2 Ų | 143.2 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | cis | -135.9 | -164 | 2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 487 | Q | 38.4 | Very low | 35.4 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 77% | 0.771 | 83% | 0.825 | S | S | * | * | cis | -140.3 | 147.9 | 15.4 | -86.7 | -150.4 | 77.7 | 0 | 0 | 111.2 | ||||
| 488 | R | 31.5 | Very low | 35.3 | Very low | 232 Ų | 232 | 148.3 Ų | 148.3 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | 39.5 | 127.6 | 102.2 | -68 | -177.2 | 163.6 | -149.8 | 0 | 117.1 | |||||
| 489 | G | 30.6 | Very low | 35.9 | Very low | 69 Ų | 69 | 144 Ų | 144 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | cis | -176.2 | 178.4 | -5.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 490 | K | 34.5 | Very low | 35.9 | Very low | 217 Ų | 217 | 145.3 Ų | 145.3 | 94% | 0.943 | 82% | 0.817 | S | S | * | * | trans | 36.2 | 140.6 | 143.5 | -60.9 | -176.3 | 174.9 | -174.2 | 0 | 119.7 | ||||
| 491 | A | 29.9 | Very low | 35.8 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | cis | -147.6 | -154.8 | 18.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 492 | R | 32.9 | Very low | 34.9 | Very low | 233 Ų | 233 | 146.8 Ų | 146.8 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -135.9 | 177.2 | -162.1 | -161.9 | -160.1 | 170.6 | -139 | 3.5 | 108 | ||||
| 493 | P | 42 | Very low | 35.1 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 66% | 0.656 | 82% | 0.818 | S | S | * | * | cis | -121.3 | -174.5 | -24.5 | 9.3 | 17.5 | 0 | 0 | 0 | 115.4 | ||||
| 494 | L | 39.2 | Very low | 35.3 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -48.8 | 157.1 | 164.5 | -61.6 | 163.5 | 0 | 0 | 0 | 115.7 | ||||
| 495 | P | 44.1 | Very low | 35.5 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | -153.3 | 154.6 | 83.8 | 39.9 | -20.5 | 0 | 0 | 0 | 120.2 | |||||
| 496 | K | 35.3 | Very low | 35.3 | Very low | 200 Ų | 200 | 146.6 Ų | 146.6 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | trans | 30 | 120 | 144.5 | -57.1 | 176.1 | -178.5 | 177.3 | 0 | 121.6 | ||||
| 497 | K | 29.9 | Very low | 35.2 | Very low | 216 Ų | 216 | 152 Ų | 152 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | -168.5 | 150.2 | 127.8 | -119.1 | 174.8 | -177.4 | 176.4 | 0 | 115.6 | |||||
| 498 | A | 32.8 | Very low | 34.9 | Very low | 90 Ų | 90 | 154.5 Ų | 154.5 | 74% | 0.744 | 82% | 0.824 | S | S | * | * | trans | -165.1 | 166.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 499 | P | 47.3 | Very low | 34.8 | Very low | 112 Ų | 112 | 148 Ų | 148 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | cis | -112.4 | -158.5 | -13.6 | 41.1 | -27 | 0 | 0 | 0 | 111 | ||||
| 500 | P | 39.8 | Very low | 35.1 | Very low | 131 Ų | 131 | 154.7 Ų | 154.7 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | -132.3 | -176.6 | 114.7 | 38.7 | -31.3 | 0 | 0 | 0 | 114.3 | |||||
| 501 | K | 31.7 | Very low | 35.1 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | trans | -104.3 | 145.5 | -161.8 | -62 | 175.5 | -179.7 | 174.4 | 0 | 115.2 | ||||
| 502 | A | 32.4 | Very low | 35.3 | Very low | 89 Ų | 89 | 148.1 Ų | 148.1 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | 25.4 | 138.5 | 139.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 503 | K | 35.1 | Very low | 36.1 | Very low | 212 Ų | 212 | 142.9 Ų | 142.9 | 92% | 0.922 | 79% | 0.792 | S | S | * | * | -131.2 | 140.1 | 124 | -74.7 | -166.7 | 177.5 | -177.9 | 0 | 110.4 | |||||
| 504 | T | 34.4 | Very low | 35.5 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -109.9 | 168.2 | 165.9 | 49.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 505 | P | 36.4 | Very low | 35.2 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | -118.1 | 137.2 | 110.6 | -7.3 | 27 | 0 | 0 | 0 | 111.8 | |||||
| 506 | A | 30.8 | Very low | 34.8 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | 58.2 | 90.6 | 90.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 507 | K | 31.1 | Very low | 34.5 | Very low | 211 Ų | 211 | 142.1 Ų | 142.1 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | 45.7 | 105.9 | 92.8 | -76.4 | -170.1 | 175.3 | -177.9 | 0 | 114.3 | |||||
| 508 | K | 31.2 | Very low | 34.8 | Very low | 217 Ų | 217 | 141.1 Ų | 141.1 | 94% | 0.943 | 78% | 0.78 | S | S | * | * | trans | -134 | 153.8 | 135.5 | -100.7 | -174.6 | 178.3 | -179.9 | 0 | 109.1 | ||||
| 509 | A | 30.3 | Very low | 35 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -103.1 | 167.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 510 | R | 35.2 | Very low | 34.2 | Very low | 210 Ų | 210 | 142 Ų | 142 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -36.9 | 139.9 | 163.3 | -177.9 | -173.3 | -165.7 | -132 | 7.7 | 114.1 | S512 | R510-S512 PolarHBondContact NE-OG 2.59Å; R510-S512 PolarHBondContact NH2-OG 2.93Å | ||
| 511 | P | 35.2 | Very low | 33.6 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -120.7 | 134.6 | 143.5 | 35.3 | -27.5 | 0 | 0 | 0 | 113 | ||||
| 512 | S | 34.6 | Very low | 33.3 | Very low | 62 Ų | 62 | 133.8 Ų | 133.8 | 43% | 0.434 | 78% | 0.776 | S | S | . | * | trans | -174.7 | 135.9 | 165 | 61.5 | 0 | 0 | 0 | 0 | 104.7 | R510 | R510-S512 PolarHBondContact NE-OG 2.59Å; R510-S512 PolarHBondContact NH2-OG 2.93Å | ||
| 513 | P | 48.8 | Very low | 33.1 | Very low | 123 Ų | 123 | 135 Ų | 135 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | cis | -115.6 | -155.9 | 36.3 | 22.2 | 2.8 | 0 | 0 | 0 | 110.9 | ||||
| 514 | T | 30.7 | Very low | 32.8 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | cis | -158.2 | 142.4 | 35.5 | 39.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 515 | V | 31.5 | Very low | 32.7 | Very low | 114 Ų | 114 | 133 Ų | 133 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | 46.1 | 124.5 | 129.2 | -161.9 | 0 | 0 | 0 | 0 | 117.6 | K517 | V515-K517 HydrophobicContact CG1-CG 4.48Š| |||
| 516 | I | 35.3 | Very low | 32.5 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | -172.8 | 148.9 | 89 | -80.2 | 168.6 | 0 | 0 | 0 | 106.9 | |||||
| 517 | K | 29.3 | Very low | 33.1 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | cis | -160.3 | 159.7 | -25.3 | -101.1 | -175.2 | 179.1 | 177.1 | 0 | 106.8 | V515 | V515-K517 HydrophobicContact CG1-CG 4.48Š| ||
| 518 | K | 36.4 | Very low | 33.2 | Very low | 195 Ų | 195 | 132.3 Ų | 132.3 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | -91.7 | 154.2 | 155.8 | -76 | -173 | 177.7 | -177.8 | 0 | 110 | ||||
| 519 | P | 38.3 | Very low | 33.4 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | -110.6 | 160.6 | 114.8 | -17 | 36.4 | 0 | 0 | 0 | 111 | |||||
| 520 | S | 29.5 | Very low | 33.6 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | cis | 57.3 | 126.5 | 36 | 69.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 521 | G | 26.5 | Very low | 33.6 | Very low | 82 Ų | 82 | 123.3 Ų | 123.3 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | cis | 133.8 | 125.2 | 3.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 522 | G | 26.7 | Very low | 33.7 | Very low | 74 Ų | 74 | 128.1 Ų | 128.1 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | trans | 101.6 | 127.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 523 | S | 27.2 | Very low | 33.8 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 88.4 | 149.8 | 148.6 | 90.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 524 | S | 30.2 | Very low | 33.1 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | 84.4 | 98.7 | 143.4 | -55.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 525 | K | 30.7 | Very low | 33.2 | Very low | 198 Ų | 198 | 133 Ų | 133 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | 57.7 | 112.6 | 134.2 | -62.6 | 177.7 | 179.8 | 176 | 0 | 120.9 | ||||
| 526 | K | 32.8 | Very low | 33.2 | Very low | 200 Ų | 200 | 136.7 Ų | 136.7 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | 39.6 | 141.7 | 106 | -95.9 | -173.5 | 179.2 | -176 | 0 | 119.2 | |||||
| 527 | P | 42.8 | Very low | 33.4 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | -142.5 | 164.4 | 64.9 | 40.4 | -25 | 0 | 0 | 0 | 118.7 | |||||
| 528 | A | 33.6 | Very low | 34.3 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | 50.3 | 143.4 | 143.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 529 | T | 36.8 | Very low | 33.9 | Very low | 139 Ų | 139 | 129.2 Ų | 129.2 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | cis | -165.5 | 166.1 | -6.9 | 11 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 530 | S | 33.8 | Very low | 33.9 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | cis | -132.8 | -151.3 | -1.1 | 55.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 531 | A | 35.6 | Very low | 34 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | cis | -141.1 | 142.8 | -11.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 532 | R | 36.8 | Very low | 34.3 | Very low | 227 Ų | 227 | 138.9 Ų | 138.9 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | 48.2 | 134.9 | 86.9 | -65.8 | -169.2 | 172.6 | -168.4 | -1.3 | 116.3 | |||||
| 533 | K | 35.9 | Very low | 34.7 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | cis | -119.5 | -141.1 | 7.9 | -146 | -164.7 | -172.3 | -51.8 | 0 | 114.9 | ||||
| 534 | E | 33.8 | Very low | 35 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 57% | 0.565 | 78% | 0.783 | S | S | * | * | trans | -160.7 | 162.4 | -146.3 | -64.4 | 138.3 | -111.3 | 0 | 0 | 111.4 | ||||
| 535 | V | 34.5 | Very low | 35.2 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | cis | -178.1 | 158.5 | -26.6 | 67.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 536 | K | 30.5 | Very low | 35.5 | Very low | 193 Ų | 193 | 142.6 Ų | 142.6 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | 86.6 | 143 | 149.2 | -107.3 | 176.8 | 175.4 | 178.9 | 0 | 123.8 | ||||
| 537 | L | 39 | Very low | 35.9 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -83.9 | 162.9 | 150.6 | -52.8 | 166.2 | 0 | 0 | 0 | 109.4 | ||||
| 538 | P | 47.8 | Very low | 35.7 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | -156.3 | -179.2 | 76.5 | 42.4 | -22.4 | 0 | 0 | 0 | 116.7 | |||||
| 539 | G | 29.6 | Very low | 35.9 | Very low | 79 Ų | 79 | 145.2 Ų | 145.2 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | 150.8 | 123.2 | 156.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 540 | K | 37.4 | Very low | 36.1 | Very low | 222 Ų | 222 | 149.5 Ų | 149.5 | 97% | 0.965 | 78% | 0.78 | S | S | * | * | trans | -115.5 | 136.6 | 164.7 | -78.8 | -175.3 | 175.8 | -178.8 | 0 | 109.2 | ||||
| 541 | G | 30.9 | Very low | 36.5 | Very low | 74 Ų | 74 | 150.3 Ų | 150.3 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | 178.6 | 103 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 542 | K | 34.2 | Very low | 37.2 | Very low | 209 Ų | 209 | 155.8 Ų | 155.8 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | 27.7 | 129.8 | 146.6 | -52.5 | 175.3 | -178.8 | 179 | 0 | 119.7 | ||||
| 543 | S | 33.8 | Very low | 37.7 | Very low | 101 Ų | 101 | 158 Ų | 158 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | 161.1 | 124.5 | 91.9 | -150.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 544 | T | 34.1 | Very low | 37.8 | Very low | 118 Ų | 118 | 158 Ų | 158 | 72% | 0.724 | 81% | 0.81 | S | S | * | * | trans | 34.7 | 136 | 139.4 | 60.5 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 545 | M | 34.7 | Very low | 38 | Very low | 165 Ų | 165 | 159.9 Ų | 159.9 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | trans | 71.8 | 152.6 | 155.5 | -73 | -168.6 | 178.1 | 0 | 0 | 117.2 | ||||
| 546 | K | 36.3 | Very low | 38.2 | Very low | 180 Ų | 180 | 162 Ų | 162 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | cis | -149.8 | 170.9 | 8.9 | -133.4 | 160.2 | -175.1 | 174.2 | 0 | 112.7 | ||||
| 547 | K | 41.4 | Very low | 38.7 | Very low | 195 Ų | 195 | 160.2 Ų | 160.2 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | trans | -44.5 | 164.6 | 161.7 | -73.5 | 176.2 | 175.6 | 179.5 | 0 | 114.1 | ||||
| 548 | S | 39.2 | Very low | 38.7 | Very low | 74 Ų | 74 | 160.5 Ų | 160.5 | 52% | 0.517 | 83% | 0.827 | S | S | . | * | cis | -163.9 | 169.4 | -7.7 | 42.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 549 | F | 37.2 | Very low | 38 | Very low | 185 Ų | 185 | 162.2 Ų | 162.2 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | -163.9 | 173.6 | 75.4 | -77.6 | -70.5 | 0 | 0 | 0 | 109.6 | |||||
| 550 | R | 40.9 | Very low | 38.6 | Very low | 230 Ų | 230 | 168.1 Ų | 168.1 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | cis | 83.9 | 137.7 | 32 | -146.1 | -172.1 | -168.9 | -161 | 5 | 115.4 | ||||
| 551 | V | 41.9 | Very low | 38.7 | Very low | 132 Ų | 132 | 164 Ų | 164 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | trans | 81.2 | 115 | -172.7 | -171.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 552 | K | 51.2 | Low | 39.4 | Very low | 195 Ų | 195 | 171.5 Ų | 171.5 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | cis | 90.9 | 95.2 | 23.3 | -166.8 | -159.7 | 176.6 | -173.6 | 0 | 114.8 | ||||
| 553 | K | 48 | Very low | 39.9 | Very low | 274 Ų | 274 | 168.1 Ų | 168.1 | 100% | 1.191 | 81% | 0.81 | S | S | * | * | -142.8 | 0 | 119.6 | -150.7 | 172.1 | -175.1 | -178.2 | 0 | 109.4 |
Retrieved 553 of 553 residues in 168.6 ms
(Link to these results)