| 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 | 35.2 | Very low | 38 | Very low | 245 Ų | 245 | 153 Ų | 153 | 100% | 1.207 | 79% | 0.788 | S | S | * | * | 0 | 152.7 | 0 | -65.5 | 178.9 | 175.7 | 0 | 0 | 108.1 | |||||
| 2 | P | 45.7 | Very low | 38.1 | Very low | 107 Ų | 107 | 153.4 Ų | 153.4 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | cis | -114.6 | 138.1 | -16.9 | 42.4 | -31.1 | 0 | 0 | 0 | 110.8 | ||||
| 3 | T | 36.7 | Very low | 38.6 | Very low | 124 Ų | 124 | 150 Ų | 150 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | 78.1 | 161.4 | 104.7 | 68.2 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 4 | S | 40.1 | Very low | 38.3 | Very low | 92 Ų | 92 | 147.8 Ų | 147.8 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | trans | 67.9 | 94 | 151.9 | 42.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 5 | N | 34.9 | Very low | 38.8 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | 42 | 129.8 | 117.4 | -49.1 | 0.4 | 0 | 0 | 0 | 119.6 | |||||
| 6 | E | 42.1 | Very low | 38.7 | Very low | 200 Ų | 200 | 146.1 Ų | 146.1 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | -143.6 | 161.6 | 128.3 | -139 | 165.5 | -143.7 | 0 | 0 | 111.2 | |||||
| 7 | T | 34.8 | Very low | 38.7 | Very low | 92 Ų | 92 | 149.3 Ų | 149.3 | 56% | 0.564 | 79% | 0.788 | S | S | * | * | trans | -127.1 | 129.9 | -155 | -60.6 | 0 | 0 | 0 | 0 | 112.9 | I9 | T7-I9 HydrophobicContact CG2-CD1 3.88Å; T7-I9 HydrophobicContact CG2-CG1 3.87Å | ||
| 8 | Y | 38.8 | Very low | 38.6 | Very low | 217 Ų | 217 | 150.5 Ų | 150.5 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -137.5 | 114 | 157.6 | -85 | -95.3 | 0 | 0 | 0 | 106 | ||||
| 9 | I | 34.3 | Very low | 38.6 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 67% | 0.672 | 79% | 0.794 | S | S | * | * | cis | 54.9 | 97.9 | 45.8 | -60.2 | 166.4 | 0 | 0 | 0 | 112 | T7 | T7-I9 HydrophobicContact CG2-CD1 3.88Å; T7-I9 HydrophobicContact CG2-CG1 3.87Å | ||
| 10 | Y | 37.5 | Very low | 38.6 | Very low | 220 Ų | 220 | 152.4 Ų | 152.4 | 86% | 0.863 | 79% | 0.789 | S | S | * | * | trans | -143.3 | 149.7 | 135.1 | -113.3 | -87.2 | 0 | 0 | 0 | 108.8 | ||||
| 11 | P | 38.3 | Very low | 38.5 | Very low | 103 Ų | 103 | 151.9 Ų | 151.9 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | -122.3 | 155.3 | -163.7 | 41.5 | -28.5 | 0 | 0 | 0 | 115.8 | ||||
| 12 | D | 39 | Very low | 38.7 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | -62.6 | 149.2 | 149.6 | -79.3 | -53.9 | 0 | 0 | 0 | 109.5 | ||||
| 13 | P | 44.2 | Very low | 38.1 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | -159.1 | 175.3 | 54 | 42.5 | -21.2 | 0 | 0 | 0 | 120 | |||||
| 14 | C | 34.8 | Very low | 38.3 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 69.3 | 174.1 | 144.8 | -95.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 15 | P | 45.9 | Very low | 38 | Very low | 100 Ų | 100 | 154.9 Ų | 154.9 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | cis | -140.3 | 179.3 | -20.7 | 35 | -14.9 | 0 | 0 | 0 | 117 | ||||
| 16 | Q | 37.2 | Very low | 37.7 | Very low | 169 Ų | 169 | 155 Ų | 155 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | 68.3 | 120.3 | 144.7 | -82.2 | 172.1 | 18.3 | 0 | 0 | 123.6 | ||||
| 17 | Q | 38.8 | Very low | 37.2 | Very low | 200 Ų | 200 | 156.7 Ų | 156.7 | 94% | 0.935 | 78% | 0.778 | S | S | * | * | -153.4 | 172.3 | 102.4 | -107.4 | -171.8 | 24 | 0 | 0 | 111.2 | |||||
| 18 | Q | 36.2 | Very low | 37.3 | Very low | 171 Ų | 171 | 157.3 Ų | 157.3 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -123.8 | 139 | -164.5 | -63.3 | 175.4 | -19.7 | 0 | 0 | 113.8 | ||||
| 19 | Q | 38.9 | Very low | 37.5 | Very low | 188 Ų | 188 | 151.6 Ų | 151.6 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -156.2 | 103 | 131.4 | -116.3 | 174.4 | 39.1 | 0 | 0 | 114.1 | ||||
| 20 | Q | 38.1 | Very low | 37.4 | Very low | 151 Ų | 151 | 152.6 Ų | 152.6 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 38.8 | 118.5 | 138.1 | -61.1 | -166.8 | 22.5 | 0 | 0 | 122.9 | ||||
| 21 | Q | 38 | Very low | 37 | Very low | 141 Ų | 141 | 147.4 Ų | 147.4 | 66% | 0.659 | 78% | 0.778 | S | S | * | * | 72.6 | 141.1 | 125.3 | -59.6 | -170.9 | 97.7 | 0 | 0 | 119.4 | |||||
| 22 | Q | 38.9 | Very low | 37 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | cis | -146.9 | 165.8 | 0.8 | -128.5 | 178 | 54.4 | 0 | 0 | 111.2 | ||||
| 23 | T | 33.8 | Very low | 36.7 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -95.2 | 141.7 | -169 | 54 | 0 | 0 | 0 | 0 | 115 | ||||
| 24 | T | 39.8 | Very low | 36.2 | Very low | 152 Ų | 152 | 152.8 Ų | 152.8 | 93% | 0.933 | 78% | 0.783 | S | S | * | * | trans | -140.6 | 167.2 | 143.4 | 11.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 25 | K | 33.2 | Very low | 36.2 | Very low | 184 Ų | 184 | 154 Ų | 154 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -136.5 | 152.3 | -148.6 | -150 | -172.5 | -174.5 | 178.2 | 0 | 112 | ||||
| 26 | M | 29.5 | Very low | 35.8 | Very low | 155 Ų | 155 | 161.1 Ų | 161.1 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | 86.6 | 140.2 | 157.3 | -51.9 | -82.5 | -83.6 | 0 | 0 | 119.9 | ||||
| 27 | R | 32 | Very low | 36 | Very low | 236 Ų | 236 | 159.4 Ų | 159.4 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | 94.2 | 129.8 | 142.4 | -124 | 169.5 | -170.5 | 161.2 | 1.3 | 119 | ||||
| 28 | S | 36.8 | Very low | 35.9 | Very low | 104 Ų | 104 | 157.9 Ų | 157.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -83.7 | 150.7 | 172.5 | 157.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 29 | P | 43 | Very low | 36 | Very low | 97 Ų | 97 | 155.2 Ų | 155.2 | 63% | 0.63 | 79% | 0.79 | S | S | * | * | trans | -114.9 | 110.8 | 155.1 | 34.1 | -20.8 | 0 | 0 | 0 | 112 | ||||
| 30 | N | 31.4 | Very low | 36 | Very low | 152 Ų | 152 | 155.5 Ų | 155.5 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | -72.6 | 161.8 | 129.4 | -86.8 | -25.2 | 0 | 0 | 0 | 107.7 | |||||
| 31 | S | 29.7 | Very low | 35.9 | Very low | 112 Ų | 112 | 157.4 Ų | 157.4 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | 67.8 | 81.2 | 177 | -54.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 32 | I | 37 | Very low | 35.8 | Very low | 133 Ų | 133 | 157.7 Ų | 157.7 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | trans | -130.2 | 76.2 | 140.4 | -52.3 | -178.7 | 0 | 0 | 0 | 108.2 | ||||
| 33 | E | 34.4 | Very low | 35.8 | Very low | 176 Ų | 176 | 158.4 Ų | 158.4 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -67.9 | 161.1 | 138.9 | -68.6 | 175.9 | 96.3 | 0 | 0 | 107.8 | ||||
| 34 | Q | 33.8 | Very low | 35.9 | Very low | 174 Ų | 174 | 155.7 Ų | 155.7 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 64.5 | 87.4 | -178.3 | -49.3 | 171.9 | -0.5 | 0 | 0 | 114 | ||
| 35 | N | 34.2 | Very low | 35.6 | Very low | 144 Ų | 144 | 156.6 Ų | 156.6 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | 173.9 | 34.9 | 149.7 | -92 | -19.8 | 0 | 0 | 0 | 113.4 | ||||
| 36 | R | 37.8 | Very low | 35.6 | Very low | 250 Ų | 250 | 153.7 Ų | 153.7 | 94% | 0.943 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -130.4 | 42.4 | 177.5 | -125.4 | 176.4 | -177.8 | 138.6 | 1.6 | 113.3 | ||
| 37 | T | 41.2 | Very low | 36.1 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -134.5 | 15.3 | -178.8 | 42.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 38 | E | 36.5 | Very low | 36.2 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -141.5 | 64.8 | -174.2 | -95.2 | 165.4 | -151.1 | 0 | 0 | 111.9 | ||
| 39 | S | 37.9 | Very low | 36.1 | Very low | 115 Ų | 115 | 152.4 Ų | 152.4 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -161.8 | 16.9 | 169.9 | -74.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 40 | M | 38.6 | Very low | 36 | Very low | 194 Ų | 194 | 156.2 Ų | 156.2 | 96% | 0.956 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -142.6 | 52.3 | 178.3 | -71.9 | -173 | 174.2 | 0 | 0 | 110.8 | ||
| 41 | K | 36.3 | Very low | 36.2 | Very low | 191 Ų | 191 | 152.7 Ų | 152.7 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | trans | -141 | 4.8 | 179.2 | -131.7 | 175.7 | -177.9 | -178.4 | 0 | 116 | ||||
| 42 | D | 36.9 | Very low | 36.4 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -110.6 | 43 | -174.9 | -52.5 | -75.4 | 0 | 0 | 0 | 112.4 | ||||
| 43 | L | 37.5 | Very low | 36.5 | Very low | 181 Ų | 181 | 153 Ų | 153 | 95% | 0.948 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -132.7 | 17.3 | 171.7 | -137 | 87.3 | 0 | 0 | 0 | 113.6 | ||
| 44 | A | 36.7 | Very low | 36.6 | Very low | 73 Ų | 73 | 155.2 Ų | 155.2 | 60% | 0.603 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -124.6 | 166.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||
| 45 | D | 33.9 | Very low | 36.5 | Very low | 170 Ų | 170 | 150 Ų | 150 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | 60.5 | 56 | 176.8 | -56.2 | -20.4 | 0 | 0 | 0 | 116.2 | ||||
| 46 | C | 33.5 | Very low | 36.6 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | trans | -103.2 | 92.4 | 164.7 | -158.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 47 | V | 38.8 | Very low | 36.6 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | 60.4 | 88.7 | 155.6 | -169.6 | 0 | 0 | 0 | 0 | 117.6 | Q49 | V47-Q49 VanDerWaalsContact C-N 3.35Å; V47-Q49 HydrophobicContact CG1-CB 4.14Å; V47-Q49 PolarHBondContact O-N 3.5Å | ||
| 48 | E | 33.8 | Very low | 36.2 | Very low | 189 Ų | 189 | 146.3 Ų | 146.3 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -59 | 90.8 | 145.1 | 178.8 | -172.1 | -148.9 | 0 | 0 | 110.5 | ||||
| 49 | Q | 35.7 | Very low | 35.9 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 77% | 0.771 | 82% | 0.815 | S | S | * | * | trans | -174.7 | 96.7 | 156.4 | -111.4 | 162.7 | 83 | 0 | 0 | 113.1 | V47 | V47-Q49 VanDerWaalsContact C-N 3.35Å; V47-Q49 HydrophobicContact CG1-CB 4.14Å; V47-Q49 PolarHBondContact O-N 3.5Å | ||
| 50 | N | 40.5 | Very low | 35.9 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 95% | 0.952 | 82% | 0.819 | S | S | * | * | trans | 178.9 | 135.2 | 137.4 | -101.3 | -69.8 | 0 | 0 | 0 | 108.9 | ||||
| 51 | G | 36 | Very low | 35.5 | Very low | 78 Ų | 78 | 145.9 Ų | 145.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -111.2 | 157 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 52 | G | 33 | Very low | 35.5 | Very low | 74 Ų | 74 | 144 Ų | 144 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | 90.7 | 117.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 53 | L | 39.5 | Very low | 35.3 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | -159.7 | 92 | 71.1 | -93 | 161.1 | 0 | 0 | 0 | 114 | |||||
| 54 | R | 35.4 | Very low | 34.8 | Very low | 223 Ų | 223 | 141.9 Ų | 141.9 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | 14.5 | 115.2 | 135.9 | -170.9 | -177.5 | -171.2 | -131.4 | 4.5 | 120.4 | ||||
| 55 | G | 33.2 | Very low | 35.3 | Very low | 65 Ų | 65 | 144.8 Ų | 144.8 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | trans | 91 | 149.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 56 | Y | 35.8 | Very low | 35.1 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | cis | -149.3 | 160.7 | 15.6 | -89.5 | -104.3 | 0 | 0 | 0 | 111.2 | ||||
| 57 | L | 37.8 | Very low | 35.3 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | 29.8 | 148.6 | 142.1 | -58.4 | 172.6 | 0 | 0 | 0 | 121.4 | ||||
| 58 | S | 32.9 | Very low | 35 | Very low | 100 Ų | 100 | 144.9 Ų | 144.9 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | cis | -172.5 | 169.6 | -14.5 | 47.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 59 | N | 29.6 | Very low | 35.2 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -56.3 | 136.7 | 177 | -57 | -20.2 | 0 | 0 | 0 | 113.1 | ||||
| 60 | E | 37.8 | Very low | 35.3 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -144.4 | 150 | 153 | -129.6 | 176.8 | 162.7 | 0 | 0 | 110.4 | ||||
| 61 | S | 30.3 | Very low | 35.2 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -120.9 | 123.2 | -171 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 62 | I | 37 | Very low | 35.5 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -131.2 | 91.1 | -178.6 | -54.3 | -176 | 0 | 0 | 0 | 111.3 | ||||
| 63 | Q | 32.1 | Very low | 35.6 | Very low | 164 Ų | 164 | 147 Ų | 147 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | 34.7 | 118.9 | 128.7 | -144.4 | 72.1 | -2.8 | 0 | 0 | 119.9 | |||||
| 64 | C | 27.5 | Very low | 35.6 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 140.3 | 163.2 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | N66 | C64-N66 PolarHBondContact O-N 3.01Š|
| 65 | P | 47.3 | Very low | 35.8 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 120.6 | 173.5 | 31 | -32.8 | 0 | 0 | 0 | 111.7 | ||
| 66 | N | 30.1 | Very low | 36 | Very low | 139 Ų | 139 | 147.8 Ų | 147.8 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 129.5 | 164 | 178.9 | 8.1 | 0 | 0 | 0 | 108.6 | C64 | C64-N66 PolarHBondContact O-N 3.01Š|
| 67 | N | 36.8 | Very low | 36 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -145.8 | 101.4 | 172.8 | -167.9 | 10.9 | 0 | 0 | 0 | 111.5 | ||||
| 68 | N | 32.5 | Very low | 35.8 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 68% | 0.684 | 78% | 0.783 | S | S | * | * | trans | -77 | 131.6 | 168.5 | -86.7 | -31.3 | 0 | 0 | 0 | 110.4 | ||||
| 69 | N | 38.7 | Very low | 35.9 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | -155.9 | 90.1 | 150 | -102.1 | -43.6 | 0 | 0 | 0 | 112.9 | ||||
| 70 | N | 36.7 | Very low | 36.1 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | trans | 23.2 | 142.6 | 137.5 | -58 | -26.1 | 0 | 0 | 0 | 122 | ||||
| 71 | N | 39.6 | Very low | 36.1 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | 73.5 | 131.7 | 163.9 | -50.5 | -13.8 | 0 | 0 | 0 | 114.6 | ||||
| 72 | D | 41.7 | Very low | 36.3 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | cis | -138 | 178.3 | 27.9 | -109.5 | -54.2 | 0 | 0 | 0 | 116.1 | ||||
| 73 | N | 35.7 | Very low | 36.3 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -84.9 | 151.1 | -159.3 | -146 | 19.5 | 0 | 0 | 0 | 115.6 | ||||
| 74 | P | 40.2 | Very low | 36.5 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -108.6 | 170.5 | -166 | 41.2 | -34.8 | 0 | 0 | 0 | 116.1 | ||||
| 75 | K | 38.8 | Very low | 36.8 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 81% | 0.809 | 78% | 0.777 | S | S | * | * | trans | -145.3 | 125.8 | 158.2 | -74.2 | -167.1 | 179.3 | 179.6 | 0 | 113.3 | ||||
| 76 | Q | 36.4 | Very low | 36.2 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 45.2 | 135.7 | 130.5 | -66.6 | 171.3 | -13.2 | 0 | 0 | 120.5 | ||||
| 77 | A | 35.7 | Very low | 36.5 | Very low | 84 Ų | 84 | 140.9 Ų | 140.9 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | cis | -166.5 | 158.2 | -2.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 78 | S | 33.9 | Very low | 36.6 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 58.7 | 98.1 | 146.1 | -58.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 79 | I | 35.3 | Very low | 36.9 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -117 | 133.6 | 132.6 | -67 | 179.9 | 0 | 0 | 0 | 107.2 | V81 | I79-V81 HydrophobicContact CG2-CG2 4.42Š| ||
| 80 | N | 34.9 | Very low | 36.8 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -97.9 | 122 | -175.7 | -176.7 | -1.2 | 0 | 0 | 0 | 110.5 | ||||
| 81 | V | 37 | Very low | 37 | Very low | 125 Ų | 125 | 147 Ų | 147 | 76% | 0.758 | 81% | 0.81 | S | S | * | * | trans | -130.1 | 104.6 | 172.9 | -170.2 | 0 | 0 | 0 | 0 | 108.1 | I79 | I79-V81 HydrophobicContact CG2-CG2 4.42Š| ||
| 82 | N | 34 | Very low | 36.9 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | trans | -108.7 | 99.8 | -176.9 | -146.2 | 20.9 | 0 | 0 | 0 | 109.9 | ||||
| 83 | T | 37.3 | Very low | 36.7 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -138 | 89.3 | 172.8 | -60.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 84 | T | 36.6 | Very low | 36.8 | Very low | 124 Ų | 124 | 146 Ų | 146 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | trans | -76 | 139.5 | 178 | -47.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 85 | M | 33.4 | Very low | 36.9 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | trans | -65.8 | 154.8 | 176.7 | -50.7 | 176.9 | -163.3 | 0 | 0 | 111.6 | ||||
| 86 | N | 34.6 | Very low | 36.9 | Very low | 176 Ų | 176 | 144 Ų | 144 | 94% | 0.941 | 81% | 0.812 | S | S | * | * | trans | -161.9 | 89.8 | 149.8 | -105.2 | -15.6 | 0 | 0 | 0 | 110 | ||||
| 87 | S | 37.1 | Very low | 37 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -163.5 | 103.8 | 162.2 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 88 | M | 38.5 | Very low | 37.1 | Very low | 178 Ų | 178 | 146 Ų | 146 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | 155.6 | 106.8 | 158.7 | -90.3 | 168.2 | -164.8 | 0 | 0 | 108.4 | ||||
| 89 | N | 38.3 | Very low | 37.3 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | 162.8 | 95.1 | 143 | -86.6 | -13.3 | 0 | 0 | 0 | 109 | ||||
| 90 | D | 37.2 | Very low | 37.6 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -158.5 | 151.3 | 148.6 | -119.6 | -32.5 | 0 | 0 | 0 | 110.9 | ||||
| 91 | I | 40 | Very low | 37.9 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | 97.8 | 85.6 | -171.7 | -56.7 | 165.3 | 0 | 0 | 0 | 113.4 | ||||
| 92 | T | 37.7 | Very low | 37.8 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -75.2 | 140.5 | 160.1 | 34.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 93 | M | 37.7 | Very low | 38 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -137.9 | 134.7 | 146 | -81.3 | -150.8 | 163.8 | 0 | 0 | 110.1 | ||||
| 94 | T | 38.2 | Very low | 38 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -111.5 | 126.9 | -175 | 50.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 95 | S | 41.9 | Very low | 38.2 | Very low | 124 Ų | 124 | 142 Ų | 142 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -154.4 | 135.7 | 155.5 | 45.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 96 | D | 38.6 | Very low | 38.4 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | trans | -87.4 | 156.2 | -173.3 | -85.5 | -83.7 | 0 | 0 | 0 | 113.6 | ||||
| 97 | Q | 38.8 | Very low | 38.5 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 66% | 0.659 | 80% | 0.802 | S | S | * | * | trans | 26.8 | 119.9 | 135.3 | -48.3 | 170.2 | 63.8 | 0 | 0 | 116.4 | ||||
| 98 | H | 38.3 | Very low | 38.6 | Very low | 170 Ų | 170 | 131.2 Ų | 131.2 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | -163.8 | 162.4 | 59.8 | -93.8 | -79.8 | 0 | 0 | 0 | 113.7 | |||||
| 99 | S | 37.5 | Very low | 38.9 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -76.6 | 135.1 | 170.5 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 100 | S | 41.3 | Very low | 39 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | -179.2 | 150.4 | 121.7 | 48.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 101 | S | 42.5 | Very low | 39.1 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -3.9 | 128.4 | 161.8 | 51.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 102 | N | 33.5 | Very low | 39.4 | Very low | 168 Ų | 168 | 121.5 Ų | 121.5 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | -103.8 | 124 | 166.4 | -160.4 | 0.6 | 0 | 0 | 0 | 110.1 | ||||
| 103 | S | 38 | Very low | 39.5 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | -154.6 | 114.6 | 171.3 | 68.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 104 | T | 39 | Very low | 39.6 | Very low | 117 Ų | 117 | 118 Ų | 118 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | trans | 83.7 | 123.3 | 140.6 | -45 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 105 | T | 39 | Very low | 39.8 | Very low | 141 Ų | 141 | 117.9 Ų | 117.9 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | 64.9 | 142.1 | 157.8 | 48.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 106 | G | 37.8 | Very low | 39.9 | Very low | 79 Ų | 79 | 121.8 Ų | 121.8 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | 178.1 | -21.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 107 | G | 37.2 | Very low | 39.8 | Very low | 83 Ų | 83 | 123.8 Ų | 123.8 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | 41.1 | 114.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 108 | G | 38.8 | Very low | 39.8 | Very low | 71 Ų | 71 | 120.5 Ų | 120.5 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 86.6 | 169.9 | 145.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 109 | V | 46.3 | Very low | 39.6 | Very low | 126 Ų | 126 | 116.5 Ų | 116.5 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | cis | -164.1 | 154.9 | -17.1 | -98.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 110 | N | 39.5 | Very low | 39.7 | Very low | 162 Ų | 162 | 115.5 Ų | 115.5 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | 69.3 | 153.1 | 166.8 | -49.2 | -33.9 | 0 | 0 | 0 | 117.3 | ||||
| 111 | G | 38.8 | Very low | 39.7 | Very low | 59 Ų | 59 | 116.3 Ų | 116.3 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | cis | 163.2 | 167.9 | -8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 112 | S | 46.1 | Very low | 39.5 | Very low | 115 Ų | 115 | 118.3 Ų | 118.3 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 61.1 | 156.8 | 175.1 | 47 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 113 | D | 39.9 | Very low | 39.9 | Very low | 166 Ų | 166 | 117.6 Ų | 117.6 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | cis | 156.1 | 144.4 | -26.5 | -93.9 | -49.5 | 0 | 0 | 0 | 106 | ||||
| 114 | G | 41.6 | Very low | 39.9 | Very low | 74 Ų | 74 | 122.5 Ų | 122.5 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | 156.8 | 52.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 115 | D | 41.4 | Very low | 39.9 | Very low | 126 Ų | 126 | 119.6 Ų | 119.6 | 67% | 0.674 | 79% | 0.79 | S | S | * | * | 50.5 | 148.8 | 123.9 | -141.8 | 5.1 | 0 | 0 | 0 | 124.5 | |||||
| 116 | R | 43.3 | Very low | 39.9 | Very low | 206 Ų | 206 | 122.2 Ų | 122.2 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | 77.1 | 99.4 | 158.8 | -69.9 | 158.6 | -142.8 | -176.5 | 10.5 | 123.7 | ||||
| 117 | D | 37.2 | Very low | 40.1 | Very low | 172 Ų | 172 | 126.5 Ų | 126.5 | 92% | 0.92 | 79% | 0.785 | S | S | * | * | 38.7 | 143.7 | 98.7 | -163.4 | 27 | 0 | 0 | 0 | 121.9 | |||||
| 118 | G | 37.9 | Very low | 40.2 | Very low | 72 Ų | 72 | 130.3 Ų | 130.3 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 154.8 | 107.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 119 | G | 34.6 | Very low | 40.1 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | trans | -93.8 | 167.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 120 | G | 40.1 | Very low | 39.7 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | trans | -157.3 | 122.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 121 | V | 41.1 | Very low | 39.7 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | trans | -95.9 | 155.4 | -175.6 | -73 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 122 | N | 38.3 | Very low | 39.6 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | -162.5 | 166.5 | 123.8 | -104.8 | -43.3 | 0 | 0 | 0 | 115.2 | |||||
| 123 | Q | 41.9 | Very low | 39.1 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | -100 | 160.8 | -158 | -48.4 | 163.9 | 22.1 | 0 | 0 | 113.3 | ||||
| 124 | F | 37.9 | Very low | 39 | Very low | 199 Ų | 199 | 136.7 Ų | 136.7 | 87% | 0.873 | 76% | 0.762 | S | S | * | * | -176 | 138.3 | 105.6 | -119.2 | -97.9 | 0 | 0 | 0 | 115.5 | |||||
| 125 | G | 38.6 | Very low | 39.1 | Very low | 56 Ų | 56 | 139.8 Ų | 139.8 | 58% | 0.577 | 77% | 0.766 | S | S | * | * | 102 | 82.2 | 127 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 126 | K | 40.9 | Very low | 39.2 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | 72.1 | 110.4 | 146.3 | -54.9 | 168.1 | -173.8 | 173.9 | 0 | 117 | ||||
| 127 | K | 41.2 | Very low | 38.8 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 74% | 0.735 | 78% | 0.775 | S | S | * | * | 80.8 | 134.1 | 70.6 | -77.1 | 176.1 | 169.9 | -174.6 | 0 | 113.2 | |||||
| 128 | F | 38.6 | Very low | 39.1 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | cis | -160.4 | 138.2 | 11.8 | -121.5 | -40.6 | 0 | 0 | 0 | 113.3 | ||||
| 129 | S | 37.6 | Very low | 39.2 | Very low | 93 Ų | 93 | 142.3 Ų | 142.3 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | 40.8 | 150.3 | 140.3 | 56.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 130 | K | 37.8 | Very low | 39.2 | Very low | 189 Ų | 189 | 147 Ų | 147 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | cis | -172.3 | 173.6 | -0.1 | -108.3 | 174 | 172.6 | -175 | 0 | 105.8 | ||||
| 131 | T | 40 | Very low | 39.2 | Very low | 106 Ų | 106 | 152.2 Ų | 152.2 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | cis | -155.2 | 149 | -1 | 14.5 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 132 | N | 35 | Very low | 39 | Very low | 123 Ų | 123 | 154.1 Ų | 154.1 | 66% | 0.658 | 77% | 0.77 | S | S | * | * | cis | 86.8 | 106.8 | 33.3 | -173.7 | 33.6 | 0 | 0 | 0 | 116.1 | ||||
| 133 | Y | 36.6 | Very low | 38.7 | Very low | 223 Ų | 223 | 153.7 Ų | 153.7 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | trans | -149.4 | 158.1 | 140.2 | -80.3 | -64.7 | 0 | 0 | 0 | 109.6 | ||||
| 134 | P | 38.3 | Very low | 38.4 | Very low | 99 Ų | 99 | 151.9 Ų | 151.9 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | trans | -130.7 | 169.3 | -149.6 | 43 | -29.7 | 0 | 0 | 0 | 117.1 | ||||
| 135 | T | 43.4 | Very low | 38.2 | Very low | 139 Ų | 139 | 148.9 Ų | 148.9 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -168.5 | 123.4 | 139.4 | 17.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 136 | H | 43.7 | Very low | 38.2 | Very low | 188 Ų | 188 | 154.6 Ų | 154.6 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | trans | 57.8 | 153.8 | 146.9 | -105 | 56.8 | 0 | 0 | 0 | 124.1 | ||||
| 137 | N | 33.4 | Very low | 37.8 | Very low | 145 Ų | 145 | 152.1 Ų | 152.1 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | -107.8 | 156.2 | -170.2 | -62.4 | -28.8 | 0 | 0 | 0 | 113.5 | ||||
| 138 | H | 45.5 | Very low | 37.5 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | trans | -146.7 | 154.1 | 137.3 | -105.7 | 64.8 | 0 | 0 | 0 | 109.6 | ||||
| 139 | P | 38.5 | Very low | 37.3 | Very low | 102 Ų | 102 | 152.8 Ų | 152.8 | 66% | 0.662 | 78% | 0.777 | S | S | * | * | trans | -107.9 | 150.3 | -159 | 9.3 | 13 | 0 | 0 | 0 | 115.9 | ||||
| 140 | H | 35.1 | Very low | 37.1 | Very low | 185 Ų | 185 | 151.8 Ų | 151.8 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | 35.7 | 117.6 | 151.7 | -65 | -78.7 | 0 | 0 | 0 | 121 | ||||
| 141 | H | 39.4 | Very low | 36.9 | Very low | 193 Ų | 193 | 150.5 Ų | 150.5 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | -136.4 | 171 | 120.8 | -140.4 | -98.4 | 0 | 0 | 0 | 112.3 | |||||
| 142 | H | 37.8 | Very low | 36.7 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -79.6 | 157.7 | -151.9 | -154.2 | 75.4 | 0 | 0 | 0 | 116.4 | ||||
| 143 | Q | 31 | Very low | 36.6 | Very low | 142 Ų | 142 | 147 Ų | 147 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | trans | -95 | 128.1 | -175.1 | 173.3 | -178.5 | -5.4 | 0 | 0 | 111.9 | ||||
| 144 | S | 36.6 | Very low | 36.4 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -140.7 | 95.7 | 161.1 | -82.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 145 | Q | 33.6 | Very low | 36.3 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | -85.7 | 112.4 | 166.6 | -65.7 | -178.6 | 18.9 | 0 | 0 | 108.8 | ||||
| 146 | L | 37.2 | Very low | 36.3 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -99.2 | 77.7 | 163.8 | -70.3 | -178.9 | 0 | 0 | 0 | 109.7 | ||||
| 147 | H | 33.1 | Very low | 37 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 67% | 0.667 | 77% | 0.774 | S | S | * | * | trans | -70.8 | 146.3 | 158.2 | -89.4 | 111.8 | 0 | 0 | 0 | 109.6 | ||||
| 148 | Q | 35.4 | Very low | 38.3 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | 60.3 | 109.1 | 165.2 | -58 | 170.1 | 35.1 | 0 | 0 | 116.7 | ||||
| 149 | N | 34.4 | Very low | 39.6 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | -139.1 | 126.1 | 113.7 | -158.3 | -2.3 | 0 | 0 | 0 | 109.7 | |||||
| 150 | G | 33 | Very low | 41.5 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | trans | -101.6 | 125.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 151 | N | 33.8 | Very low | 43.8 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 86% | 0.861 | 71% | 0.712 | S | S | * | * | trans | -120 | 135.2 | 168.1 | -161.3 | 2.3 | 0 | 0 | 0 | 110 | G153 | N151-G153 PolarHBondContact O-N 3.48Š| ||
| 152 | A | 35.5 | Very low | 46.3 | Very low | 103 Ų | 103 | 119.8 Ų | 119.8 | 85% | 0.851 | 68% | 0.681 | S | S | * | * | trans | -84.3 | 115.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 153 | G | 32.3 | Very low | 48.9 | Very low | 53 Ų | 53 | 113.4 Ų | 113.4 | 55% | 0.546 | 65% | 0.653 | S | S | . | * | trans | -142.8 | 88.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | N151 G155 | N151-G153 PolarHBondContact O-N 3.48Å; G153-G155 PolarHBondContact O-N 2.73Å | ||
| 154 | T | 33.6 | Very low | 51.8 | Low | 145 Ų | 145 | 106.7 Ų | 106.7 | 89% | 0.89 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 31.2 | 84.3 | 153.6 | 57 | 0 | 0 | 0 | 0 | 117.8 | A156 | T154-A156 VanDerWaalsContact C-N 3.31Å; T154-A156 PolarHBondContact O-N 2.79Å; T154-A156 VanDerWaalsContact O-N 3.07Å |
| 155 | G | 36.6 | Very low | 54.5 | Low | 79 Ų | 79 | 104.3 Ų | 104.3 | 81% | 0.814 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.7 | 31.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117 | G153 E157 | G153-G155 PolarHBondContact O-N 2.73Å; G155-E157 PolarHBondContact O-N 3.03Å |
| 156 | A | 43.5 | Very low | 57.3 | Low | 88 Ų | 88 | 97.9 Ų | 97.9 | 73% | 0.727 | 57% | 0.565 | S | S | * | * | trans | -57.3 | 111.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | T154 K158 | T154-A156 VanDerWaalsContact C-N 3.31Å; T154-A156 PolarHBondContact O-N 2.79Å; T154-A156 VanDerWaalsContact O-N 3.07Å; A156-K158 PolarHBondContact O-N 3.5Å | ||
| 157 | E | 56.7 | Low | 60 | Low | 114 Ų | 114 | 94.9 Ų | 94.9 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | trans | -61.4 | 129.4 | -179.9 | -53.2 | -160.7 | 139.7 | 0 | 0 | 110.2 | G155 M159 K235 | G155-E157 PolarHBondContact O-N 3.03Å; E157-M159 PolarHBondContact O-N 3.1Å; E157-K235 IonicContact OE1-NZ 3.64Å; E157-K235 PolarHBondContact OE1-NZ 3.28Å; E157-K235 VanDerWaalsContact OE2-CD 3.27Å; E157-K235 WeakPolarHBondContact OE2-CD 3.26Å; E157-K235 WeakPolarHBondContact OE2-CE 3.37Å; E157-K235 IonicContact OE2-NZ 2.67Å; E157-K235 PolarHBondContact OE2-NZ 2.99Å | ||
| 158 | K | 62.7 | Low | 62.6 | Low | 139 Ų | 139 | 89.9 Ų | 89.9 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | trans | -68.1 | 90.7 | -176 | -172.3 | 167.3 | -179.2 | -80 | 0 | 110.6 | A156 E236 | A156-K158 PolarHBondContact O-N 3.5Å; K158-E236 IonicContact NZ-OE1 3.96Å; K158-E236 IonicContact NZ-OE2 3.44Å; K158-E236 PolarHBondContact NZ-OE2 2.93Å; K158-E236 WeakPolarHBondContact O-CB 3.07Å; K158-E236 PolarHBondContact O-N 3.2Å | ||
| 159 | M | 72.3 | Confident | 65.2 | Low | 120 Ų | 120 | 81.5 Ų | 81.5 | 59% | 0.591 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 134.1 | 173 | -73.1 | 168.7 | -79.7 | 0 | 0 | 110.1 | E157 F233 A234 | E157-M159 PolarHBondContact O-N 3.1Å; M159-F233 HydrophobicContact CB-CB 4.4Å; M159-A234 CarbonylContact C-O 3.55Å; M159-A234 WeakPolarHBondContact CA-O 3.49Å |
| 160 | S | 77.7 | Confident | 67.7 | Low | 11 Ų | 11 | 76.4 Ų | 76.4 | 8% | 0.077 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 121 | 175.9 | 48.1 | 0 | 0 | 0 | 0 | 109.7 | T162 F233 A234 | S160-T162 VanDerWaalsContact C-N 3.31Å; S160-T162 PolarHBondContact O-N 2.82Å; S160-F233 WeakPolarHBondContact O-CD1 3.39Å; S160-A234 PolarHBondContact N-O 3.4Å; S160-A234 PolarHBondContact OG-O 3.2Å |
| 161 | R | 84 | Confident | 70.1 | Confident | 161 Ų | 161 | 78.8 Ų | 78.8 | 61% | 0.608 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -12.2 | -173.3 | -48.3 | -170.9 | -171.1 | 177.3 | -4.1 | 115.1 | E212 F233 | R161-E212 HydrophobicContact CB-CB 4.33Å; R161-E212 HydrophobicContact CB-CG 3.94Å; R161-E212 VanDerWaalsContact CD-OE1 3.31Å; R161-E212 WeakPolarHBondContact CD-OE1 3.46Å; R161-E212 WeakPolarHBondContact CD-OE2 3.25Å; R161-E212 IonicContact CZ-OE2 2.65Å; R161-E212 IonicContact NE-OE2 3.6Å; R161-E212 IonicContact NH1-OE1 2.72Å; R161-E212 IonicContact NH1-OE2 2.59Å; R161-E212 PolarHBondContact NH1-OE2 2.89Å; R161-F233 WeakPolarHBondContact O-CE1 3.44Å |
| 162 | T | 91 | Very high | 72.5 | Confident | 39 Ų | 39 | 76.1 Ų | 76.1 | 24% | 0.239 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -17.1 | 177.7 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | S160 D208 F209 | S160-T162 VanDerWaalsContact C-N 3.31Å; S160-T162 PolarHBondContact O-N 2.82Å; T162-D208 WeakPolarHBondContact CB-OD1 3.43Å; T162-D208 PolarHBondContact OG1-OD1 2.92Å; T162-F209 WeakPolarHBondContact O-CD2 3.19Å; T162-F209 PolarHBondContact O-N 2.75Å |
| 163 | N | 92.8 | Very high | 74.9 | Confident | 37 Ų | 37 | 72.4 Ų | 72.4 | 20% | 0.198 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.5 | -171.7 | 179.2 | 8.7 | 0 | 0 | 0 | 110.8 | I207 D208 A234 | N163-I207 CarbonylContact C-O 3.53Å; N163-I207 WeakPolarHBondContact CA-O 3.38Å; N163-I207 PolarHBondContact OD1-O 2.91Å; N163-D208 HydrophobicContact CB-CB 3.99Å; N163-A234 HydrophobicContact CB-CB 4.35Å; N163-A234 WeakPolarHBondContact O-CB 3.42Å; N163-A234 PolarHBondContact O-N 3.28Å |
| 164 | L | 93.1 | Very high | 77.5 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.9 | 178.7 | -57.4 | -171.5 | 0 | 0 | 0 | 110.4 | F206 I207 F209 A215 A218 L219 I231 K232 F233 | L164-F206 CarbonylContact O-C 3.48Å; L164-F206 VanDerWaalsContact O-CA 3.26Å; L164-F206 WeakPolarHBondContact O-CA 3.46Å; L164-I207 PolarHBondContact N-O 2.94Å; L164-I207 PolarHBondContact O-N 3.4Å; L164-F209 HydrophobicContact CD1-CD2 4.48Å; L164-F209 HydrophobicContact CD1-CE2 3.73Å; L164-F209 HydrophobicContact CD1-CZ 4.5Å; L164-F209 HydrophobicContact CG-CD2 4.32Å; L164-F209 HydrophobicContact CG-CE2 3.95Å; L164-A215 HydrophobicContact CD2-CB 4.12Å; L164-A215 HydrophobicContact CG-CB 4.36Å; L164-A218 HydrophobicContact CD1-CB 4.3Å; L164-L219 HydrophobicContact CD1-CB 3.95Å; L164-L219 HydrophobicContact CD2-CB 4.23Å; L164-L219 HydrophobicContact CD2-CD1 4Å; L164-I231 HydrophobicContact CB-CG2 4.27Å; L164-I231 HydrophobicContact CD1-CG2 4.1Å; L164-K232 CarbonylContact C-O 3.48Å; L164-K232 WeakPolarHBondContact CA-O 3.24Å; L164-F233 HydrophobicContact CD2-CD1 3.68Å; L164-F233 HydrophobicContact CD2-CE1 3.6Å; L164-F233 HydrophobicContact CD2-CG 4.4Å; L164-F233 HydrophobicContact CD2-CZ 4.26Å |
| 165 | Y | 93 | Very high | 80.2 | Confident | 66 Ų | 66 | 69.9 Ų | 69.9 | 26% | 0.259 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 121.7 | 164.5 | 169.8 | -101.6 | 0 | 0 | 0 | 109.3 | K167 Y204 F206 I231 K232 | Y165-K167 HydrophobicContact CE1-CB 3.72Å; Y165-Y204 HydrophobicContact CD2-CD2 4.26Å; Y165-Y204 AromaticContact CE2-CD2 3.52Å; Y165-Y204 HydrophobicContact CE2-CD2 3.52Å; Y165-Y204 HydrophobicContact CE2-CE2 4.28Å; Y165-Y204 AromaticContact CE2-CG 3.89Å; Y165-Y204 HydrophobicContact CE2-CG 3.89Å; Y165-F206 HydrophobicContact CD2-CD1 4.2Å; Y165-F206 AromaticContact CD2-CE1 3.61Å; Y165-F206 HydrophobicContact CD2-CE1 3.61Å; Y165-F206 AromaticContact CD2-CZ 3.9Å; Y165-F206 HydrophobicContact CD2-CZ 3.9Å; Y165-F206 HydrophobicContact CE2-CZ 4.39Å; Y165-F206 HydrophobicContact CG-CE1 4.38Å; Y165-I231 WeakPolarHBondContact O-CA 3.07Å; Y165-K232 PolarHBondContact N-O 3.34Å; Y165-K232 PolarHBondContact O-N 3.19Å |
| 166 | I | 92.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.9 | 179.1 | -56.1 | 178.4 | 0 | 0 | 0 | 108.3 | L169 L178 L181 Y204 G205 I207 F229 I231 | I166-L169 HydrophobicContact CG2-CD2 3.69Å; I166-L169 HydrophobicContact CG2-CG 4.27Å; I166-L178 HydrophobicContact CD1-CD2 3.97Å; I166-L181 HydrophobicContact CD1-CD1 4.06Å; I166-Y204 CarbonylContact O-C 3.59Å; I166-Y204 WeakPolarHBondContact O-CA 3.24Å; I166-Y204 VanDerWaalsContact O-CB 3.31Å; I166-Y204 WeakPolarHBondContact O-CB 3.17Å; I166-G205 PolarHBondContact N-O 2.71Å; I166-G205 PolarHBondContact O-N 3.03Å; I166-I207 HydrophobicContact CD1-CD1 3.6Å; I166-I207 HydrophobicContact CD1-CG1 4Å; I166-F229 HydrophobicContact CG2-CB 4.12Å; I166-F229 HydrophobicContact CG2-CD2 4.36Å; I166-F229 HydrophobicContact CG2-CG 4.33Å; I166-I231 HydrophobicContact CG1-CG1 4.29Å; I166-I231 HydrophobicContact CG1-CG2 4.22Å; I166-I231 HydrophobicContact CG2-CG1 4.36Å |
| 167 | K | 92.3 | Very high | 85 | Confident | 113 Ų | 113 | 71.5 Ų | 71.5 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 146.1 | 176.8 | -173.9 | -165.2 | 174.4 | -163.2 | 0 | 110.7 | Y165 F229 T230 | Y165-K167 HydrophobicContact CE1-CB 3.72Å; K167-F229 CarbonylContact O-C 3.55Å; K167-F229 WeakPolarHBondContact O-CA 3.48Å; K167-T230 PolarHBondContact N-O 3.01Å; K167-T230 PolarHBondContact O-N 2.83Å |
| 168 | G | 89 | Confident | 86.5 | Confident | 39 Ų | 39 | 66 Ų | 66 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | trans | 104.1 | 8.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | G203 F229 | G168-G203 PolarHBondContact N-O 3.04Å; G168-F229 WeakPolarHBondContact O-CD1 3.45Å; G168-F229 VanDerWaalsContact O-CE1 3.26Å; G168-F229 WeakPolarHBondContact O-CE1 3.49Å | ||
| 169 | L | 89 | Confident | 87.9 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | trans | -58.2 | 143.9 | 169.4 | -52.8 | 177.3 | 0 | 0 | 0 | 109.5 | I166 F173 L178 L181 G203 F229 | I166-L169 HydrophobicContact CG2-CD2 3.69Å; I166-L169 HydrophobicContact CG2-CG 4.27Å; L169-F173 HydrophobicContact CB-CB 4.1Å; L169-F173 HydrophobicContact CB-CD1 4.3Å; L169-F173 HydrophobicContact CB-CG 4.32Å; L169-F173 HydrophobicContact CD1-CD1 4.25Å; L169-F173 HydrophobicContact CD2-CD1 3.83Å; L169-F173 HydrophobicContact CD2-CE1 4Å; L169-F173 HydrophobicContact CG-CD1 4.34Å; L169-L178 HydrophobicContact CD1-CD1 3.75Å; L169-L178 HydrophobicContact CD1-CD2 3.89Å; L169-L178 HydrophobicContact CD1-CG 3.94Å; L169-L178 HydrophobicContact CD2-CD2 4.2Å; L169-L181 HydrophobicContact CD2-CD1 4.35Å; L169-G203 PolarHBondContact N-O 3.15Å; L169-G203 VanDerWaalsContact O-CA 3.27Å; L169-G203 WeakPolarHBondContact O-CA 3.37Å; L169-F229 HydrophobicContact CD2-CD1 4.46Å; L169-F229 HydrophobicContact CD2-CD2 4.32Å; L169-F229 HydrophobicContact CD2-CE1 4.22Å; L169-F229 HydrophobicContact CD2-CE2 4.07Å; L169-F229 HydrophobicContact CD2-CZ 4.02Å | ||
| 170 | P | 86.4 | Confident | 88.7 | Confident | 55 Ų | 55 | 63.6 Ų | 63.6 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | trans | -71.7 | 169.7 | 172.5 | 31.2 | -33.6 | 0 | 0 | 0 | 111.3 | N172 F173 | P170-N172 WeakPolarHBondContact CB-OD1 3.44Å; P170-N172 WeakPolarHBondContact CG-OD1 3.47Å; P170-N172 PolarHBondContact O-N 3.08Å; P170-F173 HydrophobicContact CG-CB 3.96Å; P170-F173 HydrophobicContact CG-CD2 3.61Å; P170-F173 HydrophobicContact CG-CG 4.12Å; P170-F173 WeakPolarHBondContact O-CB 3.4Å; P170-F173 PolarHBondContact O-N 2.83Å | ||
| 171 | E | 83.5 | Confident | 89.2 | Confident | 122 Ų | 122 | 64 Ų | 64 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -10.5 | -169.9 | -58.6 | -167 | 119.9 | 0 | 0 | 114.7 | K200 C201 | E171-K200 HydrophobicContact CB-CG 4.34Å; E171-K200 WeakPolarHBondContact OE1-CE 3.17Å; E171-K200 IonicContact OE1-NZ 2.79Å; E171-K200 PolarHBondContact OE1-NZ 3.23Å; E171-K200 WeakPolarHBondContact OE2-CE 3.38Å; E171-K200 IonicContact OE2-NZ 2.73Å; E171-K200 PolarHBondContact OE2-NZ 3.11Å; E171-C201 WeakPolarHBondContact O-CB 3.38Å; E171-C201 PolarHBondContact O-N 2.72Å |
| 172 | N | 84.9 | Confident | 89.4 | Confident | 105 Ų | 105 | 56.4 Ų | 56.4 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 22.7 | -176.9 | 67.3 | -48.2 | 0 | 0 | 0 | 113.3 | P170 Q177 | P170-N172 WeakPolarHBondContact CB-OD1 3.44Å; P170-N172 WeakPolarHBondContact CG-OD1 3.47Å; P170-N172 PolarHBondContact O-N 3.08Å; N172-Q177 PolarHBondContact O-NE2 3.07Å; N172-Q177 VanDerWaalsContact O-NE2 3.1Å; N172-Q177 PolarHBondContact O-OE1 2.84Å |
| 173 | F | 85.3 | Confident | 88.9 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 11% | 0.114 | 30% | 0.298 | C | S | . | . | trans | -107.4 | 85.3 | -165.2 | -149.6 | -90.8 | 0 | 0 | 0 | 113.1 | L169 P170 Q177 L178 L181 C201 | L169-F173 HydrophobicContact CB-CB 4.1Å; L169-F173 HydrophobicContact CB-CD1 4.3Å; L169-F173 HydrophobicContact CB-CG 4.32Å; L169-F173 HydrophobicContact CD1-CD1 4.25Å; L169-F173 HydrophobicContact CD2-CD1 3.83Å; L169-F173 HydrophobicContact CD2-CE1 4Å; L169-F173 HydrophobicContact CG-CD1 4.34Å; P170-F173 HydrophobicContact CG-CB 3.96Å; P170-F173 HydrophobicContact CG-CD2 3.61Å; P170-F173 HydrophobicContact CG-CG 4.12Å; P170-F173 WeakPolarHBondContact O-CB 3.4Å; P170-F173 PolarHBondContact O-N 2.83Å; F173-Q177 HydrophobicContact CD1-CB 3.84Å; F173-Q177 HydrophobicContact CD2-CB 4.11Å; F173-Q177 VanDerWaalsContact CE1-C 3.46Å; F173-Q177 HydrophobicContact CE1-CB 3.62Å; F173-Q177 HydrophobicContact CE2-CB 3.91Å; F173-Q177 HydrophobicContact CG-CB 4.09Å; F173-Q177 HydrophobicContact CZ-CB 3.65Å; F173-L178 HydrophobicContact CD1-CG 4.14Å; F173-L178 HydrophobicContact CE1-CG 4.17Å; F173-L181 HydrophobicContact CE1-CD1 4.09Å; F173-L181 HydrophobicContact CE1-CD2 4.19Å; F173-L181 HydrophobicContact CE1-CG 4.12Å; F173-L181 HydrophobicContact CZ-CD1 4.45Å; F173-L181 HydrophobicContact CZ-CD2 3.75Å; F173-L181 HydrophobicContact CZ-CG 4.19Å; F173-C201 VanDerWaalsContact C-SG 3.54Å; F173-C201 PolarHBondContact O-SG 3.38Å | ||
| 174 | D | 88.2 | Confident | 88.6 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 43% | 0.433 | 31% | 0.305 | S | S | . | . | trans | -73.1 | 173.6 | -170.7 | -62.4 | -53.9 | 0 | 0 | 0 | 115 | E176 Q177 L178 | D174-E176 PolarHBondContact O-N 3.04Å; D174-E176 VanDerWaalsContact O-N 3.16Å; D174-Q177 PolarHBondContact O-N 2.75Å; D174-L178 PolarHBondContact O-N 3.46Å; D174-L178 VanDerWaalsContact O-N 3.08Å | ||
| 175 | D | 90.4 | Very high | 88.2 | Confident | 63 Ų | 63 | 63.6 Ų | 63.6 | 34% | 0.337 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -49.7 | -38.7 | 175.7 | -75 | -23.2 | 0 | 0 | 0 | 112.6 | W179 V191 K192 A193 | D175-W179 PolarHBondContact O-N 3.18Å; D175-V191 WeakPolarHBondContact O-CG1 3.27Å; D175-K192 WeakPolarHBondContact OD1-CA 3.11Å; D175-K192 IonicContact OD1-NZ 3.55Å; D175-K192 PolarHBondContact OD1-NZ 3.47Å; D175-K192 IonicContact OD2-NZ 2.66Å; D175-K192 PolarHBondContact OD2-NZ 3.11Å; D175-A193 WeakPolarHBondContact OD1-CA 3.49Å; D175-A193 VanDerWaalsContact OD1-CB 3.25Å; D175-A193 WeakPolarHBondContact OD1-CB 3.41Å; D175-A193 PolarHBondContact OD1-N 3.22Å |
| 176 | E | 90.5 | Very high | 88 | Confident | 136 Ų | 136 | 66.7 Ų | 66.7 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -70.2 | -38.7 | 179.2 | -175.6 | 175.8 | -179.7 | 0 | 0 | 112.7 | D174 L178 W179 Q180 | D174-E176 PolarHBondContact O-N 3.04Å; D174-E176 VanDerWaalsContact O-N 3.16Å; E176-L178 VanDerWaalsContact C-N 3.34Å; E176-W179 WeakPolarHBondContact O-CB 3.33Å; E176-W179 PolarHBondContact O-N 3.37Å; E176-Q180 WeakPolarHBondContact O-CG 3.34Å; E176-Q180 PolarHBondContact O-N 2.85Å; E176-Q180 VanDerWaalsContact O-N 3.11Å |
| 177 | Q | 89.3 | Confident | 87.9 | Confident | 65 Ų | 65 | 69.5 Ų | 69.5 | 30% | 0.304 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.9 | -33.9 | 178.3 | -62.7 | 176.7 | 34 | 0 | 0 | 110.9 | N172 F173 D174 Q180 L181 | N172-Q177 PolarHBondContact O-NE2 3.07Å; N172-Q177 VanDerWaalsContact O-NE2 3.1Å; N172-Q177 PolarHBondContact O-OE1 2.84Å; F173-Q177 HydrophobicContact CD1-CB 3.84Å; F173-Q177 HydrophobicContact CD2-CB 4.11Å; F173-Q177 VanDerWaalsContact CE1-C 3.46Å; F173-Q177 HydrophobicContact CE1-CB 3.62Å; F173-Q177 HydrophobicContact CE2-CB 3.91Å; F173-Q177 HydrophobicContact CG-CB 4.09Å; F173-Q177 HydrophobicContact CZ-CB 3.65Å; D174-Q177 PolarHBondContact O-N 2.75Å; Q177-Q180 PolarHBondContact O-N 2.91Å; Q177-L181 PolarHBondContact O-N 3.19Å |
| 178 | L | 89.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 168.5 | -92.3 | 161.3 | 0 | 0 | 0 | 112.8 | I166 L169 F173 D174 E176 Q180 L181 V191 A193 I207 | I166-L178 HydrophobicContact CD1-CD2 3.97Å; L169-L178 HydrophobicContact CD1-CD1 3.75Å; L169-L178 HydrophobicContact CD1-CD2 3.89Å; L169-L178 HydrophobicContact CD1-CG 3.94Å; L169-L178 HydrophobicContact CD2-CD2 4.2Å; F173-L178 HydrophobicContact CD1-CG 4.14Å; F173-L178 HydrophobicContact CE1-CG 4.17Å; D174-L178 PolarHBondContact O-N 3.46Å; D174-L178 VanDerWaalsContact O-N 3.08Å; E176-L178 VanDerWaalsContact C-N 3.34Å; L178-Q180 PolarHBondContact O-N 3.24Å; L178-L181 HydrophobicContact CD2-CD1 3.98Å; L178-L181 PolarHBondContact O-N 3.04Å; L178-V191 HydrophobicContact CB-CG1 3.49Å; L178-V191 VanDerWaalsContact CB-CG1 3.49Å; L178-V191 HydrophobicContact CD1-CG1 4.42Å; L178-A193 VanDerWaalsContact CD1-CA 3.48Å; L178-A193 HydrophobicContact CD1-CB 3.66Å; L178-I207 HydrophobicContact CD2-CD1 4.11Å; L178-I207 HydrophobicContact CD2-CG1 4.21Å; L178-I207 VanDerWaalsContact O-CD1 3.3Å; L178-I207 WeakPolarHBondContact O-CD1 3.39Å |
| 179 | W | 91.1 | Very high | 88 | Confident | 94 Ų | 94 | 68.8 Ų | 68.8 | 36% | 0.356 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.7 | -29.8 | 175.4 | -177.1 | -79.6 | 0 | 0 | 0 | 112.3 | D175 E176 P182 Q185 I188 V191 | D175-W179 PolarHBondContact O-N 3.18Å; E176-W179 WeakPolarHBondContact O-CB 3.33Å; E176-W179 PolarHBondContact O-N 3.37Å; W179-P182 WeakPolarHBondContact O-CD 3.26Å; W179-Q185 VanDerWaalsContact CD1-OE1 3.31Å; W179-Q185 HydrophobicContact CZ2-CB 4.42Å; W179-I188 HydrophobicContact CD2-CD1 4.11Å; W179-I188 HydrophobicContact CE3-CB 4.48Å; W179-I188 HydrophobicContact CE3-CD1 4.4Å; W179-I188 HydrophobicContact CE3-CG2 3.84Å; W179-I188 HydrophobicContact CG-CD1 4.45Å; W179-I188 HydrophobicContact CH2-CB 3.79Å; W179-I188 HydrophobicContact CH2-CG2 3.8Å; W179-I188 HydrophobicContact CZ2-CB 4.21Å; W179-I188 HydrophobicContact CZ2-CD1 4.42Å; W179-I188 HydrophobicContact CZ3-CB 3.96Å; W179-I188 HydrophobicContact CZ3-CG2 3.42Å; W179-I188 VanDerWaalsContact CZ3-CG2 3.42Å; W179-V191 HydrophobicContact CB-CG2 4.24Å; W179-V191 HydrophobicContact CD2-CG2 4.3Å; W179-V191 HydrophobicContact CE3-CB 4.14Å; W179-V191 HydrophobicContact CE3-CG2 3.51Å; W179-V191 HydrophobicContact CZ3-CG2 4.19Å |
| 180 | Q | 89.9 | Confident | 88 | Confident | 113 Ų | 113 | 71.4 Ų | 71.4 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -6 | 178.6 | -66.8 | 174.6 | 19.9 | 0 | 0 | 114.7 | E176 Q177 L178 | E176-Q180 WeakPolarHBondContact O-CG 3.34Å; E176-Q180 PolarHBondContact O-N 2.85Å; E176-Q180 VanDerWaalsContact O-N 3.11Å; Q177-Q180 PolarHBondContact O-N 2.91Å; L178-Q180 PolarHBondContact O-N 3.24Å |
| 181 | L | 87.5 | Confident | 88.2 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -67.1 | -45.7 | 178.4 | -68.4 | -174.6 | 0 | 0 | 0 | 114.2 | I166 L169 F173 Q177 L178 I222 F229 | I166-L181 HydrophobicContact CD1-CD1 4.06Å; L169-L181 HydrophobicContact CD2-CD1 4.35Å; F173-L181 HydrophobicContact CE1-CD1 4.09Å; F173-L181 HydrophobicContact CE1-CD2 4.19Å; F173-L181 HydrophobicContact CE1-CG 4.12Å; F173-L181 HydrophobicContact CZ-CD1 4.45Å; F173-L181 HydrophobicContact CZ-CD2 3.75Å; F173-L181 HydrophobicContact CZ-CG 4.19Å; Q177-L181 PolarHBondContact O-N 3.19Å; L178-L181 HydrophobicContact CD2-CD1 3.98Å; L178-L181 PolarHBondContact O-N 3.04Å; L181-I222 HydrophobicContact CB-CD1 3.97Å; L181-I222 HydrophobicContact CB-CG1 4.19Å; L181-I222 HydrophobicContact CB-CG2 4.12Å; L181-I222 HydrophobicContact CD1-CG2 4.07Å; L181-F229 HydrophobicContact CD1-CD2 4.24Å; L181-F229 HydrophobicContact CD1-CE2 4.01Å; L181-F229 HydrophobicContact CD2-CE2 4.06Å |
| 182 | P | 87.4 | Confident | 88.6 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -79.5 | 135.1 | 175.2 | -6.2 | 25.7 | 0 | 0 | 0 | 109.6 | W179 D184 I188 I207 F209 A218 I222 | W179-P182 WeakPolarHBondContact O-CD 3.26Å; P182-D184 VanDerWaalsContact C-N 3.3Å; P182-D184 PolarHBondContact O-N 3.16Å; P182-I188 HydrophobicContact CB-CD1 4.39Å; P182-I188 HydrophobicContact CG-CD1 3.76Å; P182-I188 HydrophobicContact CG-CG1 4.3Å; P182-I207 HydrophobicContact CG-CD1 3.99Å; P182-I207 HydrophobicContact CG-CG2 4.47Å; P182-F209 HydrophobicContact CB-CE1 4.13Å; P182-F209 HydrophobicContact CB-CZ 4.05Å; P182-F209 HydrophobicContact CG-CE1 4.17Å; P182-F209 HydrophobicContact CG-CZ 3.75Å; P182-A218 HydrophobicContact CB-CB 4.19Å; P182-I222 HydrophobicContact CB-CD1 4.26Å; P182-I222 HydrophobicContact CG-CD1 3.95Å |
| 183 | P | 81.7 | Confident | 88.8 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -63.6 | -38.5 | 174.1 | 25.8 | -33 | 0 | 0 | 0 | 111.4 | Q185 Q221 | P183-Q185 VanDerWaalsContact C-N 3.31Å; P183-Q185 PolarHBondContact O-N 3.33Å; P183-Q221 VanDerWaalsContact CD-OE1 3.27Å |
| 184 | D | 85.5 | Confident | 89 | Confident | 63 Ų | 63 | 63 Ų | 63 | 34% | 0.337 | 32% | 0.321 | S | S | . | . | trans | -85.1 | 66.9 | 180 | -73.7 | -8.8 | 0 | 0 | 0 | 112.3 | P182 T186 K187 | P182-D184 VanDerWaalsContact C-N 3.3Å; P182-D184 PolarHBondContact O-N 3.16Å; D184-T186 PolarHBondContact O-N 3.08Å; D184-T186 VanDerWaalsContact O-N 3.08Å; D184-K187 HydrophobicContact CB-CB 4.43Å; D184-K187 HydrophobicContact CB-CD 3.7Å; D184-K187 HydrophobicContact CB-CG 4.05Å; D184-K187 PolarHBondContact O-N 3.36Å; D184-K187 WeakPolarHBondContact OD2-CE 3.18Å; D184-K187 IonicContact OD2-NZ 3.81Å; D184-K187 PolarHBondContact OD2-NZ 3.43Å | ||
| 185 | Q | 86 | Confident | 88.9 | Confident | 78 Ų | 78 | 61.9 Ų | 61.9 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -56.4 | -25.3 | 176.8 | -63.2 | -175.9 | 12.4 | 0 | 0 | 113.5 | W179 P183 K187 I188 | W179-Q185 VanDerWaalsContact CD1-OE1 3.31Å; W179-Q185 HydrophobicContact CZ2-CB 4.42Å; P183-Q185 VanDerWaalsContact C-N 3.31Å; P183-Q185 PolarHBondContact O-N 3.33Å; Q185-K187 PolarHBondContact O-N 3.13Å; Q185-I188 HydrophobicContact CB-CD1 4.29Å; Q185-I188 HydrophobicContact CG-CD1 4.38Å; Q185-I188 WeakPolarHBondContact O-CB 3.41Å; Q185-I188 PolarHBondContact O-N 2.99Å |
| 186 | T | 87.6 | Confident | 88.4 | Confident | 131 Ų | 131 | 61.7 Ų | 61.7 | 80% | 0.804 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -65.9 | -21.5 | 176.1 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | D184 | D184-T186 PolarHBondContact O-N 3.08Å; D184-T186 VanDerWaalsContact O-N 3.08Å |
| 187 | K | 90.9 | Very high | 87.8 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -88.4 | -3.9 | 177.7 | -63.3 | 174.3 | 177.8 | 167.7 | 0 | 112.5 | D184 Q185 F209 V210 A214 E217 | D184-K187 HydrophobicContact CB-CB 4.43Å; D184-K187 HydrophobicContact CB-CD 3.7Å; D184-K187 HydrophobicContact CB-CG 4.05Å; D184-K187 PolarHBondContact O-N 3.36Å; D184-K187 WeakPolarHBondContact OD2-CE 3.18Å; D184-K187 IonicContact OD2-NZ 3.81Å; D184-K187 PolarHBondContact OD2-NZ 3.43Å; Q185-K187 PolarHBondContact O-N 3.13Å; K187-F209 HydrophobicContact CB-CD1 4.11Å; K187-F209 CarbonylContact O-C 3.57Å; K187-F209 WeakPolarHBondContact O-CA 3.28Å; K187-F209 WeakPolarHBondContact O-CD1 3.44Å; K187-V210 WeakPolarHBondContact O-CG2 3.13Å; K187-V210 PolarHBondContact O-N 2.73Å; K187-A214 HydrophobicContact CB-CB 3.85Å; K187-A214 HydrophobicContact CD-CB 3.7Å; K187-A214 HydrophobicContact CG-CB 4.19Å; K187-E217 IonicContact NZ-OE1 3.69Å; K187-E217 IonicContact NZ-OE2 2.71Å; K187-E217 PolarHBondContact NZ-OE2 3.37Å |
| 188 | I | 92.2 | Very high | 87.2 | Confident | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 134.6 | -178.2 | -54.9 | 175.4 | 0 | 0 | 0 | 110.7 | W179 P182 Q185 V191 I207 F209 | W179-I188 HydrophobicContact CD2-CD1 4.11Å; W179-I188 HydrophobicContact CE3-CB 4.48Å; W179-I188 HydrophobicContact CE3-CD1 4.4Å; W179-I188 HydrophobicContact CE3-CG2 3.84Å; W179-I188 HydrophobicContact CG-CD1 4.45Å; W179-I188 HydrophobicContact CH2-CB 3.79Å; W179-I188 HydrophobicContact CH2-CG2 3.8Å; W179-I188 HydrophobicContact CZ2-CB 4.21Å; W179-I188 HydrophobicContact CZ2-CD1 4.42Å; W179-I188 HydrophobicContact CZ3-CB 3.96Å; W179-I188 HydrophobicContact CZ3-CG2 3.42Å; W179-I188 VanDerWaalsContact CZ3-CG2 3.42Å; P182-I188 HydrophobicContact CB-CD1 4.39Å; P182-I188 HydrophobicContact CG-CD1 3.76Å; P182-I188 HydrophobicContact CG-CG1 4.3Å; Q185-I188 HydrophobicContact CB-CD1 4.29Å; Q185-I188 HydrophobicContact CG-CD1 4.38Å; Q185-I188 WeakPolarHBondContact O-CB 3.41Å; Q185-I188 PolarHBondContact O-N 2.99Å; I188-V191 HydrophobicContact CG2-CG2 3.67Å; I188-I207 HydrophobicContact CG1-CG2 4.34Å; I188-I207 HydrophobicContact CG2-CG2 4Å; I188-F209 HydrophobicContact CG1-CD1 4.32Å; I188-F209 HydrophobicContact CG1-CE1 3.9Å; I188-F209 HydrophobicContact CG1-CZ 4.49Å |
| 189 | K | 90.9 | Very high | 86.5 | Confident | 123 Ų | 123 | 70.3 Ų | 70.3 | 54% | 0.535 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -29.7 | 178.6 | 166.8 | 158.9 | 139.4 | -81.9 | 0 | 113 | D208 V210 | K189-D208 CarbonylContact C-O 3.48Å; K189-D208 WeakPolarHBondContact CA-O 3.19Å; K189-D208 WeakPolarHBondContact CB-O 3.31Å; K189-D208 PolarHBondContact N-O 3.24Å; K189-D208 VanDerWaalsContact NZ-CG 3.33Å; K189-D208 IonicContact NZ-OD1 2.81Å; K189-D208 PolarHBondContact NZ-OD1 2.87Å; K189-D208 IonicContact NZ-OD2 2.61Å; K189-D208 PolarHBondContact NZ-OD2 2.96Å; K189-V210 HydrophobicContact CB-CG2 3.98Å |
| 190 | S | 89 | Confident | 85.9 | Confident | 64 Ų | 64 | 70.5 Ų | 70.5 | 45% | 0.448 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 150.5 | 170.4 | -162.8 | 0 | 0 | 0 | 0 | 111.9 | I207 D208 | S190-I207 WeakPolarHBondContact O-CA 3.14Å; S190-D208 PolarHBondContact N-O 2.93Å; S190-D208 PolarHBondContact O-N 2.84Å |
| 191 | V | 92.2 | Very high | 85.5 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 13% | 0.127 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.8 | 173.1 | 174.2 | 0 | 0 | 0 | 0 | 109.3 | D175 L178 W179 I188 F206 I207 | D175-V191 WeakPolarHBondContact O-CG1 3.27Å; L178-V191 HydrophobicContact CB-CG1 3.49Å; L178-V191 VanDerWaalsContact CB-CG1 3.49Å; L178-V191 HydrophobicContact CD1-CG1 4.42Å; W179-V191 HydrophobicContact CB-CG2 4.24Å; W179-V191 HydrophobicContact CD2-CG2 4.3Å; W179-V191 HydrophobicContact CE3-CB 4.14Å; W179-V191 HydrophobicContact CE3-CG2 3.51Å; W179-V191 HydrophobicContact CZ3-CG2 4.19Å; I188-V191 HydrophobicContact CG2-CG2 3.67Å; V191-F206 WeakPolarHBondContact CA-O 3.4Å; V191-I207 HydrophobicContact CG2-CG1 4.25Å; V191-I207 HydrophobicContact CG2-CG2 4.1Å |
| 192 | K | 90.1 | Very high | 85.4 | Confident | 95 Ų | 95 | 69 Ų | 69 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 109.9 | 168.6 | -162.9 | 72.5 | -150.5 | 80.2 | 0 | 113 | D175 G205 F206 | D175-K192 WeakPolarHBondContact OD1-CA 3.11Å; D175-K192 IonicContact OD1-NZ 3.55Å; D175-K192 PolarHBondContact OD1-NZ 3.47Å; D175-K192 IonicContact OD2-NZ 2.66Å; D175-K192 PolarHBondContact OD2-NZ 3.11Å; K192-G205 CarbonylContact O-C 3.58Å; K192-G205 WeakPolarHBondContact O-CA 3.46Å; K192-F206 PolarHBondContact N-O 2.95Å; K192-F206 PolarHBondContact O-N 3.02Å |
| 193 | A | 90.8 | Very high | 85.5 | Confident | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.008 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 134.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | D175 L178 T195 | D175-A193 WeakPolarHBondContact OD1-CA 3.49Å; D175-A193 VanDerWaalsContact OD1-CB 3.25Å; D175-A193 WeakPolarHBondContact OD1-CB 3.41Å; D175-A193 PolarHBondContact OD1-N 3.22Å; L178-A193 VanDerWaalsContact CD1-CA 3.48Å; L178-A193 HydrophobicContact CD1-CB 3.66Å; A193-T195 PolarHBondContact O-N 3.01Å |
| 194 | A | 88 | Confident | 86 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 12% | 0.124 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 95.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | R202 Y204 | A194-R202 HydrophobicContact CB-CB 4.5Å; A194-R202 WeakPolarHBondContact O-CB 3.38Å; A194-R202 WeakPolarHBondContact O-CG 3.44Å; A194-R202 PolarHBondContact O-N 3.03Å; A194-Y204 HydrophobicContact CB-CD1 4.19Å; A194-Y204 HydrophobicContact CB-CD2 3.65Å; A194-Y204 HydrophobicContact CB-CE1 3.8Å; A194-Y204 HydrophobicContact CB-CE2 3.23Å; A194-Y204 HydrophobicContact CB-CG 4.13Å; A194-Y204 WeakPolarHBondContact CB-O 3.31Å; A194-Y204 PolarHBondContact N-O 3.26Å |
| 195 | T | 86.5 | Confident | 86.3 | Confident | 57 Ų | 57 | 65.7 Ų | 65.7 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 152.1 | 168.2 | 53 | 0 | 0 | 0 | 0 | 110.7 | A193 T199 K200 R202 | A193-T195 PolarHBondContact O-N 3.01Å; T195-T199 WeakPolarHBondContact CB-O 3.39Å; T195-T199 WeakPolarHBondContact CG2-O 3.44Å; T195-K200 CarbonylContact C-O 3.56Å; T195-K200 WeakPolarHBondContact CA-O 3.43Å; T195-R202 WeakPolarHBondContact O-CD 3.34Å |
| 196 | D | 81.1 | Confident | 86.7 | Confident | 59 Ų | 59 | 65.4 Ų | 65.4 | 32% | 0.316 | 34% | 0.337 | S | S | . | . | trans | -92.7 | -178.4 | 168.2 | -127.4 | -37.5 | 0 | 0 | 0 | 111.1 | D198 T199 K200 R202 | D196-D198 PolarHBondContact O-N 3.02Å; D196-T199 WeakPolarHBondContact O-CA 3.18Å; D196-T199 PolarHBondContact O-N 3.22Å; D196-K200 PolarHBondContact N-O 3.21Å; D196-R202 HydrophobicContact CB-CG 3.73Å; D196-R202 VanDerWaalsContact CG-NE 3.27Å; D196-R202 IonicContact OD1-NE 3.71Å; D196-R202 WeakPolarHBondContact OD2-CD 3.16Å; D196-R202 IonicContact OD2-CZ 2.92Å; D196-R202 IonicContact OD2-NE 3.86Å; D196-R202 PolarHBondContact OD2-NE 3.33Å; D196-R202 IonicContact OD2-NH2 2.75Å; D196-R202 PolarHBondContact OD2-NH2 2.81Å | ||
| 197 | E | 77.5 | Confident | 87 | Confident | 128 Ų | 128 | 59.2 Ų | 59.2 | 60% | 0.598 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -30.8 | -176 | -61.7 | -177.6 | 179.3 | 0 | 0 | 112.8 | T199 L281 | E197-T199 PolarHBondContact O-N 3.44Å; E197-T199 VanDerWaalsContact O-N 3.16Å; E197-L281 HydrophobicContact CB-CD1 4.3Å |
| 198 | D | 75.2 | Confident | 87.1 | Confident | 142 Ų | 142 | 58 Ų | 58 | 76% | 0.759 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 20 | 173.7 | -56.9 | -55.9 | 0 | 0 | 0 | 114 | D196 K200 | D196-D198 PolarHBondContact O-N 3.02Å; D198-K200 PolarHBondContact O-N 2.66Å |
| 199 | T | 75.6 | Confident | 87.2 | Confident | 112 Ų | 112 | 57.4 Ų | 57.4 | 69% | 0.687 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 57.6 | -12.4 | -169.3 | 63.9 | 0 | 0 | 0 | 0 | 117 | T195 D196 E197 | T195-T199 WeakPolarHBondContact CB-O 3.39Å; T195-T199 WeakPolarHBondContact CG2-O 3.44Å; D196-T199 WeakPolarHBondContact O-CA 3.18Å; D196-T199 PolarHBondContact O-N 3.22Å; E197-T199 PolarHBondContact O-N 3.44Å; E197-T199 VanDerWaalsContact O-N 3.16Å |
| 200 | K | 78.5 | Confident | 87.3 | Confident | 99 Ų | 99 | 56.3 Ų | 56.3 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | trans | -59.6 | 141 | 179.8 | -168.9 | 178.1 | -176.4 | -171.7 | 0 | 112.5 | E171 T195 D196 D198 | E171-K200 HydrophobicContact CB-CG 4.34Å; E171-K200 WeakPolarHBondContact OE1-CE 3.17Å; E171-K200 IonicContact OE1-NZ 2.79Å; E171-K200 PolarHBondContact OE1-NZ 3.23Å; E171-K200 WeakPolarHBondContact OE2-CE 3.38Å; E171-K200 IonicContact OE2-NZ 2.73Å; E171-K200 PolarHBondContact OE2-NZ 3.11Å; T195-K200 CarbonylContact C-O 3.56Å; T195-K200 WeakPolarHBondContact CA-O 3.43Å; D196-K200 PolarHBondContact N-O 3.21Å; D198-K200 PolarHBondContact O-N 2.66Å | ||
| 201 | C | 81.6 | Confident | 87.4 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 129.7 | -176.6 | -68.8 | 0 | 0 | 0 | 0 | 112.4 | E171 F173 G203 | E171-C201 WeakPolarHBondContact O-CB 3.38Å; E171-C201 PolarHBondContact O-N 2.72Å; F173-C201 VanDerWaalsContact C-SG 3.54Å; F173-C201 PolarHBondContact O-SG 3.38Å; C201-G203 PolarHBondContact O-N 3.43Å |
| 202 | R | 86.1 | Confident | 87.4 | Confident | 96 Ų | 96 | 58.1 Ų | 58.1 | 36% | 0.362 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 18.8 | -173.8 | -54.1 | 174.4 | 87.7 | -134.1 | 3.1 | 113.7 | A194 T195 D196 Y204 | A194-R202 HydrophobicContact CB-CB 4.5Å; A194-R202 WeakPolarHBondContact O-CB 3.38Å; A194-R202 WeakPolarHBondContact O-CG 3.44Å; A194-R202 PolarHBondContact O-N 3.03Å; T195-R202 WeakPolarHBondContact O-CD 3.34Å; D196-R202 HydrophobicContact CB-CG 3.73Å; D196-R202 VanDerWaalsContact CG-NE 3.27Å; D196-R202 IonicContact OD1-NE 3.71Å; D196-R202 WeakPolarHBondContact OD2-CD 3.16Å; D196-R202 IonicContact OD2-CZ 2.92Å; D196-R202 IonicContact OD2-NE 3.86Å; D196-R202 PolarHBondContact OD2-NE 3.33Å; D196-R202 IonicContact OD2-NH2 2.75Å; D196-R202 PolarHBondContact OD2-NH2 2.81Å; R202-Y204 VanDerWaalsContact C-N 3.31Å; R202-Y204 HydrophobicContact CB-CD1 4.12Å; R202-Y204 HydrophobicContact CB-CE1 3.88Å; R202-Y204 PolarHBondContact NH1-OH 3.16Å; R202-Y204 WeakPolarHBondContact O-CD1 3.5Å; R202-Y204 PolarHBondContact O-N 3.34Å |
| 203 | G | 89.1 | Confident | 87.6 | Confident | 18 Ų | 18 | 58.8 Ų | 58.8 | 19% | 0.186 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.9 | 16.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | G168 L169 C201 | G168-G203 PolarHBondContact N-O 3.04Å; L169-G203 PolarHBondContact N-O 3.15Å; L169-G203 VanDerWaalsContact O-CA 3.27Å; L169-G203 WeakPolarHBondContact O-CA 3.37Å; C201-G203 PolarHBondContact O-N 3.43Å |
| 204 | Y | 92.1 | Very high | 87.7 | Confident | 61 Ų | 61 | 59 Ų | 59 | 24% | 0.239 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 160 | 173.9 | 73.4 | -89 | 0 | 0 | 0 | 113.4 | Y165 I166 A194 R202 F206 | Y165-Y204 HydrophobicContact CD2-CD2 4.26Å; Y165-Y204 AromaticContact CE2-CD2 3.52Å; Y165-Y204 HydrophobicContact CE2-CD2 3.52Å; Y165-Y204 HydrophobicContact CE2-CE2 4.28Å; Y165-Y204 AromaticContact CE2-CG 3.89Å; Y165-Y204 HydrophobicContact CE2-CG 3.89Å; I166-Y204 CarbonylContact O-C 3.59Å; I166-Y204 WeakPolarHBondContact O-CA 3.24Å; I166-Y204 VanDerWaalsContact O-CB 3.31Å; I166-Y204 WeakPolarHBondContact O-CB 3.17Å; A194-Y204 HydrophobicContact CB-CD1 4.19Å; A194-Y204 HydrophobicContact CB-CD2 3.65Å; A194-Y204 HydrophobicContact CB-CE1 3.8Å; A194-Y204 HydrophobicContact CB-CE2 3.23Å; A194-Y204 HydrophobicContact CB-CG 4.13Å; A194-Y204 WeakPolarHBondContact CB-O 3.31Å; A194-Y204 PolarHBondContact N-O 3.26Å; R202-Y204 VanDerWaalsContact C-N 3.31Å; R202-Y204 HydrophobicContact CB-CD1 4.12Å; R202-Y204 HydrophobicContact CB-CE1 3.88Å; R202-Y204 PolarHBondContact NH1-OH 3.16Å; R202-Y204 WeakPolarHBondContact O-CD1 3.5Å; R202-Y204 PolarHBondContact O-N 3.34Å; Y204-F206 HydrophobicContact CD2-CE2 4.1Å; Y204-F206 HydrophobicContact CD2-CZ 4.41Å; Y204-F206 AromaticContact CE2-CE2 3.86Å; Y204-F206 HydrophobicContact CE2-CE2 3.86Å; Y204-F206 HydrophobicContact CE2-CZ 4.19Å |
| 205 | G | 92.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | -178.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I166 K192 | I166-G205 PolarHBondContact N-O 2.71Å; I166-G205 PolarHBondContact O-N 3.03Å; K192-G205 CarbonylContact O-C 3.58Å; K192-G205 WeakPolarHBondContact O-CA 3.46Å |
| 206 | F | 93.7 | Very high | 88.2 | Confident | 72 Ų | 72 | 58.3 Ų | 58.3 | 32% | 0.316 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142 | -177.2 | -59.1 | -88.1 | 0 | 0 | 0 | 111 | L164 Y165 V191 K192 Y204 A234 | L164-F206 CarbonylContact O-C 3.48Å; L164-F206 VanDerWaalsContact O-CA 3.26Å; L164-F206 WeakPolarHBondContact O-CA 3.46Å; Y165-F206 HydrophobicContact CD2-CD1 4.2Å; Y165-F206 AromaticContact CD2-CE1 3.61Å; Y165-F206 HydrophobicContact CD2-CE1 3.61Å; Y165-F206 AromaticContact CD2-CZ 3.9Å; Y165-F206 HydrophobicContact CD2-CZ 3.9Å; Y165-F206 HydrophobicContact CE2-CZ 4.39Å; Y165-F206 HydrophobicContact CG-CE1 4.38Å; V191-F206 WeakPolarHBondContact CA-O 3.4Å; K192-F206 PolarHBondContact N-O 2.95Å; K192-F206 PolarHBondContact O-N 3.02Å; Y204-F206 HydrophobicContact CD2-CE2 4.1Å; Y204-F206 HydrophobicContact CD2-CZ 4.41Å; Y204-F206 AromaticContact CE2-CE2 3.86Å; Y204-F206 HydrophobicContact CE2-CE2 3.86Å; Y204-F206 HydrophobicContact CE2-CZ 4.19Å; F206-A234 HydrophobicContact CD1-CB 4.11Å; F206-A234 HydrophobicContact CE1-CB 4.24Å |
| 207 | I | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 111.6 | 171.6 | -52.5 | -175.3 | 0 | 0 | 0 | 108.4 | N163 L164 I166 L178 P182 I188 S190 V191 F209 | N163-I207 CarbonylContact C-O 3.53Å; N163-I207 WeakPolarHBondContact CA-O 3.38Å; N163-I207 PolarHBondContact OD1-O 2.91Å; L164-I207 PolarHBondContact N-O 2.94Å; L164-I207 PolarHBondContact O-N 3.4Å; I166-I207 HydrophobicContact CD1-CD1 3.6Å; I166-I207 HydrophobicContact CD1-CG1 4Å; L178-I207 HydrophobicContact CD2-CD1 4.11Å; L178-I207 HydrophobicContact CD2-CG1 4.21Å; L178-I207 VanDerWaalsContact O-CD1 3.3Å; L178-I207 WeakPolarHBondContact O-CD1 3.39Å; P182-I207 HydrophobicContact CG-CD1 3.99Å; P182-I207 HydrophobicContact CG-CG2 4.47Å; I188-I207 HydrophobicContact CG1-CG2 4.34Å; I188-I207 HydrophobicContact CG2-CG2 4Å; S190-I207 WeakPolarHBondContact O-CA 3.14Å; V191-I207 HydrophobicContact CG2-CG1 4.25Å; V191-I207 HydrophobicContact CG2-CG2 4.1Å; I207-F209 HydrophobicContact CB-CE2 3.96Å; I207-F209 HydrophobicContact CB-CZ 4.46Å; I207-F209 HydrophobicContact CG2-CD2 4.03Å; I207-F209 HydrophobicContact CG2-CE1 4.34Å; I207-F209 HydrophobicContact CG2-CE2 3.38Å; I207-F209 HydrophobicContact CG2-CZ 3.56Å |
| 208 | D | 92.6 | Very high | 89.5 | Confident | 33 Ų | 33 | 53.3 Ų | 53.3 | 18% | 0.176 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 124.3 | 175.9 | -175.7 | 30.3 | 0 | 0 | 0 | 109.8 | T162 N163 K189 S190 | T162-D208 WeakPolarHBondContact CB-OD1 3.43Å; T162-D208 PolarHBondContact OG1-OD1 2.92Å; N163-D208 HydrophobicContact CB-CB 3.99Å; K189-D208 CarbonylContact C-O 3.48Å; K189-D208 WeakPolarHBondContact CA-O 3.19Å; K189-D208 WeakPolarHBondContact CB-O 3.31Å; K189-D208 PolarHBondContact N-O 3.24Å; K189-D208 VanDerWaalsContact NZ-CG 3.33Å; K189-D208 IonicContact NZ-OD1 2.81Å; K189-D208 PolarHBondContact NZ-OD1 2.87Å; K189-D208 IonicContact NZ-OD2 2.61Å; K189-D208 PolarHBondContact NZ-OD2 2.96Å; S190-D208 PolarHBondContact N-O 2.93Å; S190-D208 PolarHBondContact O-N 2.84Å |
| 209 | F | 94.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.009 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 170.3 | -178.2 | -70.1 | -93.5 | 0 | 0 | 0 | 112.3 | T162 L164 P182 K187 I188 I207 A214 A215 A218 | T162-F209 WeakPolarHBondContact O-CD2 3.19Å; T162-F209 PolarHBondContact O-N 2.75Å; L164-F209 HydrophobicContact CD1-CD2 4.48Å; L164-F209 HydrophobicContact CD1-CE2 3.73Å; L164-F209 HydrophobicContact CD1-CZ 4.5Å; L164-F209 HydrophobicContact CG-CD2 4.32Å; L164-F209 HydrophobicContact CG-CE2 3.95Å; P182-F209 HydrophobicContact CB-CE1 4.13Å; P182-F209 HydrophobicContact CB-CZ 4.05Å; P182-F209 HydrophobicContact CG-CE1 4.17Å; P182-F209 HydrophobicContact CG-CZ 3.75Å; K187-F209 HydrophobicContact CB-CD1 4.11Å; K187-F209 CarbonylContact O-C 3.57Å; K187-F209 WeakPolarHBondContact O-CA 3.28Å; K187-F209 WeakPolarHBondContact O-CD1 3.44Å; I188-F209 HydrophobicContact CG1-CD1 4.32Å; I188-F209 HydrophobicContact CG1-CE1 3.9Å; I188-F209 HydrophobicContact CG1-CZ 4.49Å; I207-F209 HydrophobicContact CB-CE2 3.96Å; I207-F209 HydrophobicContact CB-CZ 4.46Å; I207-F209 HydrophobicContact CG2-CD2 4.03Å; I207-F209 HydrophobicContact CG2-CE1 4.34Å; I207-F209 HydrophobicContact CG2-CE2 3.38Å; I207-F209 HydrophobicContact CG2-CZ 3.56Å; F209-A214 HydrophobicContact CB-CB 4.13Å; F209-A214 HydrophobicContact CD1-CB 4.03Å; F209-A214 HydrophobicContact CG-CB 4.35Å; F209-A215 HydrophobicContact CB-CB 4.24Å; F209-A215 HydrophobicContact CD2-CB 3.86Å; F209-A215 HydrophobicContact CG-CB 4.22Å; F209-A218 HydrophobicContact CE1-CB 3.77Å; F209-A218 HydrophobicContact CE2-CB 3.96Å; F209-A218 HydrophobicContact CZ-CB 3.29Å |
| 210 | V | 92.4 | Very high | 91 | Very high | 101 Ų | 101 | 47.9 Ų | 47.9 | 61% | 0.612 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -79.6 | -32.6 | 175.6 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | K187 K189 | K187-V210 WeakPolarHBondContact O-CG2 3.13Å; K187-V210 PolarHBondContact O-N 2.73Å; K189-V210 HydrophobicContact CB-CG2 3.98Å |
| 211 | S | 91.9 | Very high | 91.5 | Very high | 48 Ų | 48 | 46.3 Ų | 46.3 | 34% | 0.336 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -126.3 | 160.9 | 175.7 | -161.7 | 0 | 0 | 0 | 0 | 112.9 | D213 A215 | S211-D213 PolarHBondContact OG-OD2 2.96Å; S211-A215 PolarHBondContact O-N 3.42Å |
| 212 | E | 93 | Very high | 91.9 | Very high | 75 Ų | 75 | 46 Ų | 46 | 35% | 0.35 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.8 | -38 | 169.6 | 176.3 | 167.8 | -178.3 | 0 | 0 | 111.1 | R161 A214 A215 N216 | R161-E212 HydrophobicContact CB-CB 4.33Å; R161-E212 HydrophobicContact CB-CG 3.94Å; R161-E212 VanDerWaalsContact CD-OE1 3.31Å; R161-E212 WeakPolarHBondContact CD-OE1 3.46Å; R161-E212 WeakPolarHBondContact CD-OE2 3.25Å; R161-E212 IonicContact CZ-OE2 2.65Å; R161-E212 IonicContact NE-OE2 3.6Å; R161-E212 IonicContact NH1-OE1 2.72Å; R161-E212 IonicContact NH1-OE2 2.59Å; R161-E212 PolarHBondContact NH1-OE2 2.89Å; E212-A214 PolarHBondContact O-N 2.69Å; E212-A215 PolarHBondContact O-N 3.35Å; E212-N216 PolarHBondContact O-N 3.28Å; E212-N216 PolarHBondContact O-ND2 2.84Å |
| 213 | D | 93.1 | Very high | 92.1 | Very high | 108 Ų | 108 | 47.5 Ų | 47.5 | 58% | 0.578 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.4 | -46.4 | 177.6 | -35.8 | -77.5 | 0 | 0 | 0 | 110.8 | S211 A215 N216 E217 | S211-D213 PolarHBondContact OG-OD2 2.96Å; D213-A215 VanDerWaalsContact C-N 3.3Å; D213-A215 PolarHBondContact O-N 3.19Å; D213-N216 WeakPolarHBondContact O-CA 3.45Å; D213-N216 WeakPolarHBondContact O-CB 3.3Å; D213-N216 PolarHBondContact O-N 3.02Å; D213-E217 WeakPolarHBondContact O-CG 3.48Å; D213-E217 PolarHBondContact O-N 2.88Å |
| 214 | A | 92.7 | Very high | 92.1 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 5% | 0.05 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.4 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K187 F209 E212 A218 | K187-A214 HydrophobicContact CB-CB 3.85Å; K187-A214 HydrophobicContact CD-CB 3.7Å; K187-A214 HydrophobicContact CG-CB 4.19Å; F209-A214 HydrophobicContact CB-CB 4.13Å; F209-A214 HydrophobicContact CD1-CB 4.03Å; F209-A214 HydrophobicContact CG-CB 4.35Å; E212-A214 PolarHBondContact O-N 2.69Å; A214-A218 WeakPolarHBondContact O-CB 3.4Å; A214-A218 PolarHBondContact O-N 2.87Å |
| 215 | A | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.5 | -34.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L164 F209 S211 E212 D213 L219 F233 | L164-A215 HydrophobicContact CD2-CB 4.12Å; L164-A215 HydrophobicContact CG-CB 4.36Å; F209-A215 HydrophobicContact CB-CB 4.24Å; F209-A215 HydrophobicContact CD2-CB 3.86Å; F209-A215 HydrophobicContact CG-CB 4.22Å; S211-A215 PolarHBondContact O-N 3.42Å; E212-A215 PolarHBondContact O-N 3.35Å; D213-A215 VanDerWaalsContact C-N 3.3Å; D213-A215 PolarHBondContact O-N 3.19Å; A215-L219 WeakPolarHBondContact O-CB 3.15Å; A215-L219 PolarHBondContact O-N 3.33Å; A215-F233 HydrophobicContact CB-CE1 3.9Å |
| 216 | N | 93.3 | Very high | 91.7 | Very high | 58 Ų | 58 | 58.8 Ų | 58.8 | 31% | 0.31 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.2 | -40.2 | 174.4 | -78.6 | -75.8 | 0 | 0 | 0 | 112.6 | E212 D213 Q220 F233 | E212-N216 PolarHBondContact O-N 3.28Å; E212-N216 PolarHBondContact O-ND2 2.84Å; D213-N216 WeakPolarHBondContact O-CA 3.45Å; D213-N216 WeakPolarHBondContact O-CB 3.3Å; D213-N216 PolarHBondContact O-N 3.02Å; N216-Q220 WeakPolarHBondContact O-CG 3.47Å; N216-Q220 PolarHBondContact O-N 3.08Å; N216-Q220 PolarHBondContact O-NE2 3.22Å; N216-F233 WeakPolarHBondContact OD1-CZ 3.42Å |
| 217 | E | 92.5 | Very high | 91.4 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.9 | -53.5 | 173.3 | -69.9 | 171 | 141.1 | 0 | 0 | 110.6 | K187 D213 L219 Q220 Q221 | K187-E217 IonicContact NZ-OE1 3.69Å; K187-E217 IonicContact NZ-OE2 2.71Å; K187-E217 PolarHBondContact NZ-OE2 3.37Å; D213-E217 WeakPolarHBondContact O-CG 3.48Å; D213-E217 PolarHBondContact O-N 2.88Å; E217-L219 PolarHBondContact O-N 2.99Å; E217-Q220 PolarHBondContact O-N 2.67Å; E217-Q221 WeakPolarHBondContact O-CG 3.44Å; E217-Q221 PolarHBondContact O-N 2.98Å |
| 218 | A | 91.9 | Very high | 91 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 3% | 0.025 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.9 | -37.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | L164 P182 F209 A214 Q220 Q221 I222 | L164-A218 HydrophobicContact CD1-CB 4.3Å; P182-A218 HydrophobicContact CB-CB 4.19Å; F209-A218 HydrophobicContact CE1-CB 3.77Å; F209-A218 HydrophobicContact CE2-CB 3.96Å; F209-A218 HydrophobicContact CZ-CB 3.29Å; A214-A218 WeakPolarHBondContact O-CB 3.4Å; A214-A218 PolarHBondContact O-N 2.87Å; A218-Q220 VanDerWaalsContact C-N 3.26Å; A218-Q220 PolarHBondContact O-N 3.21Å; A218-Q221 PolarHBondContact O-N 3.49Å; A218-I222 HydrophobicContact CB-CD1 4.16Å; A218-I222 WeakPolarHBondContact O-CB 3.36Å; A218-I222 WeakPolarHBondContact O-CD1 3.06Å; A218-I222 WeakPolarHBondContact O-CG1 3.41Å; A218-I222 PolarHBondContact O-N 3.01Å |
| 219 | L | 91.5 | Very high | 90.9 | Very high | 33 Ų | 33 | 64 Ų | 64 | 17% | 0.173 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.7 | -35.7 | 176 | 179.3 | 150.6 | 0 | 0 | 0 | 112.1 | L164 A215 E217 K223 I231 F233 | L164-L219 HydrophobicContact CD1-CB 3.95Å; L164-L219 HydrophobicContact CD2-CB 4.23Å; L164-L219 HydrophobicContact CD2-CD1 4Å; A215-L219 WeakPolarHBondContact O-CB 3.15Å; A215-L219 PolarHBondContact O-N 3.33Å; E217-L219 PolarHBondContact O-N 2.99Å; L219-K223 WeakPolarHBondContact O-CB 3.22Å; L219-I231 HydrophobicContact CB-CG2 4.35Å; L219-I231 HydrophobicContact CD1-CG2 4.12Å; L219-I231 HydrophobicContact CG-CB 4.5Å; L219-I231 HydrophobicContact CG-CG2 3.93Å; L219-F233 HydrophobicContact CD1-CD2 4.29Å; L219-F233 HydrophobicContact CD1-CE2 4Å; L219-F233 HydrophobicContact CD1-CZ 4.31Å |
| 220 | Q | 91.3 | Very high | 90.8 | Very high | 108 Ų | 108 | 67.4 Ų | 67.4 | 51% | 0.505 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -74.1 | -55.3 | 176.1 | -71.5 | 167 | 95.6 | 0 | 0 | 110.5 | N216 E217 A218 I222 K223 E224 | N216-Q220 WeakPolarHBondContact O-CG 3.47Å; N216-Q220 PolarHBondContact O-N 3.08Å; N216-Q220 PolarHBondContact O-NE2 3.22Å; E217-Q220 PolarHBondContact O-N 2.67Å; A218-Q220 VanDerWaalsContact C-N 3.26Å; A218-Q220 PolarHBondContact O-N 3.21Å; Q220-I222 PolarHBondContact O-N 3.3Å; Q220-K223 WeakPolarHBondContact O-CB 3.3Å; Q220-K223 PolarHBondContact O-N 2.79Å; Q220-K223 VanDerWaalsContact O-N 3.13Å; Q220-E224 WeakPolarHBondContact O-CG 3.3Å; Q220-E224 PolarHBondContact O-N 3.29Å |
| 221 | Q | 90.4 | Very high | 90.8 | Very high | 66 Ų | 66 | 63.5 Ų | 63.5 | 31% | 0.308 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.8 | -46.2 | -175.6 | -69.1 | 165.8 | -8.7 | 0 | 0 | 113.5 | P183 E217 A218 K223 E224 T225 | P183-Q221 VanDerWaalsContact CD-OE1 3.27Å; E217-Q221 WeakPolarHBondContact O-CG 3.44Å; E217-Q221 PolarHBondContact O-N 2.98Å; A218-Q221 PolarHBondContact O-N 3.49Å; Q221-K223 VanDerWaalsContact C-N 3.34Å; Q221-E224 PolarHBondContact O-N 3.3Å; Q221-T225 WeakPolarHBondContact O-CB 3.09Å; Q221-T225 PolarHBondContact O-N 3.14Å; Q221-T225 PolarHBondContact O-OG1 3.3Å |
| 222 | I | 90 | Very high | 90.8 | Very high | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.8 | -31.9 | -178.7 | -54.9 | 164.5 | 0 | 0 | 0 | 110.4 | L181 P182 A218 Q220 H226 F229 I231 | L181-I222 HydrophobicContact CB-CD1 3.97Å; L181-I222 HydrophobicContact CB-CG1 4.19Å; L181-I222 HydrophobicContact CB-CG2 4.12Å; L181-I222 HydrophobicContact CD1-CG2 4.07Å; P182-I222 HydrophobicContact CB-CD1 4.26Å; P182-I222 HydrophobicContact CG-CD1 3.95Å; A218-I222 HydrophobicContact CB-CD1 4.16Å; A218-I222 WeakPolarHBondContact O-CB 3.36Å; A218-I222 WeakPolarHBondContact O-CD1 3.06Å; A218-I222 WeakPolarHBondContact O-CG1 3.41Å; A218-I222 PolarHBondContact O-N 3.01Å; Q220-I222 PolarHBondContact O-N 3.3Å; I222-H226 WeakPolarHBondContact O-CA 3.35Å; I222-H226 WeakPolarHBondContact O-CB 3.33Å; I222-H226 PolarHBondContact O-N 3.32Å; I222-F229 HydrophobicContact CG2-CD2 4.37Å; I222-I231 HydrophobicContact CB-CD1 3.49Å; I222-I231 VanDerWaalsContact CB-CD1 3.49Å; I222-I231 HydrophobicContact CG2-CD1 3.51Å |
| 223 | K | 89.8 | Confident | 90.8 | Very high | 127 Ų | 127 | 66.5 Ų | 66.5 | 55% | 0.552 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -71.1 | -31.9 | 175.6 | -179.8 | -173.3 | 171.6 | -161.6 | 0 | 112.4 | L219 Q220 Q221 P227 I231 | L219-K223 WeakPolarHBondContact O-CB 3.22Å; Q220-K223 WeakPolarHBondContact O-CB 3.3Å; Q220-K223 PolarHBondContact O-N 2.79Å; Q220-K223 VanDerWaalsContact O-N 3.13Å; Q221-K223 VanDerWaalsContact C-N 3.34Å; K223-P227 WeakPolarHBondContact O-CA 3.26Å; K223-I231 HydrophobicContact CB-CD1 4.21Å |
| 224 | E | 89.3 | Confident | 90.5 | Very high | 150 Ų | 150 | 61.4 Ų | 61.4 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -74.2 | -42.2 | 173.3 | -72.6 | 168.9 | -171.5 | 0 | 0 | 111.7 | Q220 Q221 | Q220-E224 WeakPolarHBondContact O-CG 3.3Å; Q220-E224 PolarHBondContact O-N 3.29Å; Q221-E224 PolarHBondContact O-N 3.3Å |
| 225 | T | 89.6 | Confident | 90 | Very high | 99 Ų | 99 | 66.2 Ų | 66.2 | 61% | 0.607 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -74.9 | -35.1 | -179.4 | -56 | 0 | 0 | 0 | 0 | 112.3 | Q221 | Q221-T225 WeakPolarHBondContact O-CB 3.09Å; Q221-T225 PolarHBondContact O-N 3.14Å; Q221-T225 PolarHBondContact O-OG1 3.3Å |
| 226 | H | 86.4 | Confident | 89.1 | Confident | 66 Ų | 66 | 69.2 Ų | 69.2 | 31% | 0.306 | 35% | 0.352 | S | S | . | . | trans | -130.6 | 75.5 | -178.1 | -60.2 | -58.6 | 0 | 0 | 0 | 111.5 | I222 S228 F229 | I222-H226 WeakPolarHBondContact O-CA 3.35Å; I222-H226 WeakPolarHBondContact O-CB 3.33Å; I222-H226 PolarHBondContact O-N 3.32Å; H226-S228 PolarHBondContact O-N 2.88Å; H226-F229 HydrophobicContact CB-CB 4.42Å; H226-F229 HydrophobicContact CB-CD2 3.34Å; H226-F229 HydrophobicContact CB-CE2 3.59Å; H226-F229 HydrophobicContact CB-CG 3.88Å; H226-F229 HydrophobicContact CB-CZ 4.32Å; H226-F229 AromaticContact CD2-CE2 3.74Å; H226-F229 AromaticContact CG-CD2 3.88Å; H226-F229 AromaticContact CG-CE2 3.62Å; H226-F229 PolarHBondContact O-N 2.94Å | ||
| 227 | P | 85.9 | Confident | 88.1 | Confident | 111 Ų | 111 | 70.3 Ų | 70.3 | 72% | 0.721 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -9.6 | -179.5 | 26.4 | -35.8 | 0 | 0 | 0 | 114.4 | K223 F229 | K223-P227 WeakPolarHBondContact O-CA 3.26Å; P227-F229 VanDerWaalsContact C-N 3.31Å |
| 228 | S | 86.6 | Confident | 87.4 | Confident | 83 Ų | 83 | 73.4 Ų | 73.4 | 58% | 0.58 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -21.9 | 168.6 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | H226 | H226-S228 PolarHBondContact O-N 2.88Š|
| 229 | F | 91 | Very high | 86.9 | Confident | 20 Ų | 20 | 78.1 Ų | 78.1 | 9% | 0.088 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -90.3 | 122.1 | -175.8 | -61.1 | -17 | 0 | 0 | 0 | 111.6 | I166 K167 G168 L169 L181 I222 H226 P227 I231 | I166-F229 HydrophobicContact CG2-CB 4.12Å; I166-F229 HydrophobicContact CG2-CD2 4.36Å; I166-F229 HydrophobicContact CG2-CG 4.33Å; K167-F229 CarbonylContact O-C 3.55Å; K167-F229 WeakPolarHBondContact O-CA 3.48Å; G168-F229 WeakPolarHBondContact O-CD1 3.45Å; G168-F229 VanDerWaalsContact O-CE1 3.26Å; G168-F229 WeakPolarHBondContact O-CE1 3.49Å; L169-F229 HydrophobicContact CD2-CD1 4.46Å; L169-F229 HydrophobicContact CD2-CD2 4.32Å; L169-F229 HydrophobicContact CD2-CE1 4.22Å; L169-F229 HydrophobicContact CD2-CE2 4.07Å; L169-F229 HydrophobicContact CD2-CZ 4.02Å; L181-F229 HydrophobicContact CD1-CD2 4.24Å; L181-F229 HydrophobicContact CD1-CE2 4.01Å; L181-F229 HydrophobicContact CD2-CE2 4.06Å; I222-F229 HydrophobicContact CG2-CD2 4.37Å; H226-F229 HydrophobicContact CB-CB 4.42Å; H226-F229 HydrophobicContact CB-CD2 3.34Å; H226-F229 HydrophobicContact CB-CE2 3.59Å; H226-F229 HydrophobicContact CB-CG 3.88Å; H226-F229 HydrophobicContact CB-CZ 4.32Å; H226-F229 AromaticContact CD2-CE2 3.74Å; H226-F229 AromaticContact CG-CD2 3.88Å; H226-F229 AromaticContact CG-CE2 3.62Å; H226-F229 PolarHBondContact O-N 2.94Å; P227-F229 VanDerWaalsContact C-N 3.31Å; F229-I231 HydrophobicContact CB-CG1 4.32Å; F229-I231 PolarHBondContact O-N 3.4Å |
| 230 | T | 91.8 | Very high | 86.6 | Confident | 74 Ų | 74 | 77.9 Ų | 77.9 | 45% | 0.454 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 96.9 | 169.9 | -58.1 | 0 | 0 | 0 | 0 | 109.3 | K167 | K167-T230 PolarHBondContact N-O 3.01Å; K167-T230 PolarHBondContact O-N 2.83Å |
| 231 | I | 92 | Very high | 86.5 | Confident | 19 Ų | 19 | 78 Ų | 78 | 10% | 0.097 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 135.4 | 176 | -47.7 | -179.8 | 0 | 0 | 0 | 109.8 | L164 Y165 I166 L219 I222 K223 F229 | L164-I231 HydrophobicContact CB-CG2 4.27Å; L164-I231 HydrophobicContact CD1-CG2 4.1Å; Y165-I231 WeakPolarHBondContact O-CA 3.07Å; I166-I231 HydrophobicContact CG1-CG1 4.29Å; I166-I231 HydrophobicContact CG1-CG2 4.22Å; I166-I231 HydrophobicContact CG2-CG1 4.36Å; L219-I231 HydrophobicContact CB-CG2 4.35Å; L219-I231 HydrophobicContact CD1-CG2 4.12Å; L219-I231 HydrophobicContact CG-CB 4.5Å; L219-I231 HydrophobicContact CG-CG2 3.93Å; I222-I231 HydrophobicContact CB-CD1 3.49Å; I222-I231 VanDerWaalsContact CB-CD1 3.49Å; I222-I231 HydrophobicContact CG2-CD1 3.51Å; K223-I231 HydrophobicContact CB-CD1 4.21Å; F229-I231 HydrophobicContact CB-CG1 4.32Å; F229-I231 PolarHBondContact O-N 3.4Å |
| 232 | K | 91.8 | Very high | 86.6 | Confident | 130 Ų | 130 | 76.2 Ų | 76.2 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 159.8 | 172.5 | -61.4 | -170 | 177.9 | -168.5 | 0 | 109.7 | L164 Y165 A234 | L164-K232 CarbonylContact C-O 3.48Å; L164-K232 WeakPolarHBondContact CA-O 3.24Å; Y165-K232 PolarHBondContact N-O 3.34Å; Y165-K232 PolarHBondContact O-N 3.19Å; K232-A234 PolarHBondContact O-N 2.9Å |
| 233 | F | 92.6 | Very high | 86.8 | Confident | 56 Ų | 56 | 77.3 Ų | 77.3 | 25% | 0.246 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 132.6 | 160.3 | -71.2 | -72 | 0 | 0 | 0 | 109.7 | M159 S160 R161 L164 A215 N216 L219 | M159-F233 HydrophobicContact CB-CB 4.4Å; S160-F233 WeakPolarHBondContact O-CD1 3.39Å; R161-F233 WeakPolarHBondContact O-CE1 3.44Å; L164-F233 HydrophobicContact CD2-CD1 3.68Å; L164-F233 HydrophobicContact CD2-CE1 3.6Å; L164-F233 HydrophobicContact CD2-CG 4.4Å; L164-F233 HydrophobicContact CD2-CZ 4.26Å; A215-F233 HydrophobicContact CB-CE1 3.9Å; N216-F233 WeakPolarHBondContact OD1-CZ 3.42Å; L219-F233 HydrophobicContact CD1-CD2 4.29Å; L219-F233 HydrophobicContact CD1-CE2 4Å; L219-F233 HydrophobicContact CD1-CZ 4.31Å |
| 234 | A | 87.1 | Confident | 87 | Confident | 2 Ų | 2 | 71.3 Ų | 71.3 | 2% | 0.017 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 151.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110 | M159 S160 N163 F206 K232 E236 | M159-A234 CarbonylContact C-O 3.55Å; M159-A234 WeakPolarHBondContact CA-O 3.49Å; S160-A234 PolarHBondContact N-O 3.4Å; S160-A234 PolarHBondContact OG-O 3.2Å; N163-A234 HydrophobicContact CB-CB 4.35Å; N163-A234 WeakPolarHBondContact O-CB 3.42Å; N163-A234 PolarHBondContact O-N 3.28Å; F206-A234 HydrophobicContact CD1-CB 4.11Å; F206-A234 HydrophobicContact CE1-CB 4.24Å; K232-A234 PolarHBondContact O-N 2.9Å; A234-E236 PolarHBondContact O-N 2.86Å |
| 235 | K | 81.5 | Confident | 87.2 | Confident | 107 Ų | 107 | 68 Ų | 68 | 47% | 0.465 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 125.3 | 164.7 | -177.5 | 178.9 | -175.4 | 163.3 | 0 | 107.6 | E157 N237 | E157-K235 IonicContact OE1-NZ 3.64Å; E157-K235 PolarHBondContact OE1-NZ 3.28Å; E157-K235 VanDerWaalsContact OE2-CD 3.27Å; E157-K235 WeakPolarHBondContact OE2-CD 3.26Å; E157-K235 WeakPolarHBondContact OE2-CE 3.37Å; E157-K235 IonicContact OE2-NZ 2.67Å; E157-K235 PolarHBondContact OE2-NZ 2.99Å; K235-N237 PolarHBondContact O-N 3.49Å |
| 236 | E | 74.5 | Confident | 87.3 | Confident | 63 Ų | 63 | 63.3 Ų | 63.3 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -72 | 121 | 170.9 | -158.5 | -179 | 161.6 | 0 | 0 | 108 | K158 A234 E238 | K158-E236 IonicContact NZ-OE1 3.96Å; K158-E236 IonicContact NZ-OE2 3.44Å; K158-E236 PolarHBondContact NZ-OE2 2.93Å; K158-E236 WeakPolarHBondContact O-CB 3.07Å; K158-E236 PolarHBondContact O-N 3.2Å; A234-E236 PolarHBondContact O-N 2.86Å; E236-E238 PolarHBondContact O-N 3.02Å |
| 237 | N | 72.6 | Confident | 87.5 | Confident | 81 Ų | 81 | 61.4 Ų | 61.4 | 43% | 0.433 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 125.8 | 167.1 | -73.5 | -27.4 | 0 | 0 | 0 | 107.9 | K235 K239 D326 | K235-N237 PolarHBondContact O-N 3.49Å; N237-K239 PolarHBondContact O-N 2.56Å; N237-D326 HydrophobicContact CB-CB 3.86Å; N237-D326 VanDerWaalsContact CB-CG 3.45Å; N237-D326 WeakPolarHBondContact CB-OD2 3.47Å; N237-D326 PolarHBondContact ND2-OD2 2.78Å |
| 238 | E | 77.9 | Confident | 87.7 | Confident | 142 Ų | 142 | 58.8 Ų | 58.8 | 66% | 0.664 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 133.3 | 167.4 | -75.8 | -177.5 | -158.6 | 0 | 0 | 109.3 | E236 K327 | E236-E238 PolarHBondContact O-N 3.02Å; E238-K327 HydrophobicContact CB-CD 3.69Å; E238-K327 HydrophobicContact CB-CG 4.28Å; E238-K327 VanDerWaalsContact O-CB 3.25Å; E238-K327 WeakPolarHBondContact O-CB 3.36Å; E238-K327 VanDerWaalsContact O-CG 3.3Å; E238-K327 WeakPolarHBondContact O-CG 3.36Å; E238-K327 PolarHBondContact O-N 3.08Å; E238-K327 WeakPolarHBondContact OE2-CD 3.31Å; E238-K327 WeakPolarHBondContact OE2-CE 3.32Å |
| 239 | K | 82.1 | Confident | 87.8 | Confident | 102 Ų | 102 | 55 Ų | 55 | 44% | 0.443 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 139 | -177.6 | -67.4 | 173.1 | -175.7 | 163.4 | 0 | 110.8 | N237 K241 F324 A325 | N237-K239 PolarHBondContact O-N 2.56Å; K239-K241 PolarHBondContact O-N 3.37Å; K239-K241 VanDerWaalsContact O-N 3.13Å; K239-F324 HydrophobicContact CB-CB 4.11Å; K239-F324 HydrophobicContact CD-CB 4.36Å; K239-A325 CarbonylContact C-O 3.57Å; K239-A325 WeakPolarHBondContact CA-O 3.31Å |
| 240 | D | 85.4 | Confident | 87.5 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 15% | 0.15 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 97.5 | 168.8 | -95.7 | -34.6 | 0 | 0 | 0 | 108.5 | T242 N243 A325 K327 | D240-T242 PolarHBondContact O-N 2.94Å; D240-N243 HydrophobicContact CB-CB 3.6Å; D240-N243 PolarHBondContact O-N 2.95Å; D240-N243 VanDerWaalsContact O-O 3.04Å; D240-A325 PolarHBondContact N-O 3.48Å; D240-K327 HydrophobicContact CB-CG 4.24Å; D240-K327 VanDerWaalsContact CG-CG 3.5Å; D240-K327 WeakPolarHBondContact OD1-CG 3.5Å; D240-K327 IonicContact OD1-NZ 3.49Å; D240-K327 PolarHBondContact OD1-NZ 2.69Å |
| 241 | K | 88.6 | Confident | 87.1 | Confident | 110 Ų | 110 | 59 Ų | 59 | 48% | 0.478 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | -13.3 | 179.3 | -53.1 | -179.1 | 179.6 | 179.2 | 0 | 114.7 | K239 E296 A299 F324 | K239-K241 PolarHBondContact O-N 3.37Å; K239-K241 VanDerWaalsContact O-N 3.13Å; K241-E296 HydrophobicContact CB-CG 3.93Å; K241-E296 HydrophobicContact CD-CG 4.02Å; K241-E296 WeakPolarHBondContact CD-OE1 3.21Å; K241-E296 WeakPolarHBondContact CD-OE2 3.41Å; K241-E296 WeakPolarHBondContact CE-OE1 3.38Å; K241-E296 IonicContact NZ-OE1 2.66Å; K241-E296 PolarHBondContact NZ-OE1 3.44Å; K241-E296 IonicContact NZ-OE2 3.04Å; K241-E296 PolarHBondContact NZ-OE2 3.19Å; K241-A299 WeakPolarHBondContact O-CB 3.43Å; K241-F324 WeakPolarHBondContact O-CE1 3.36Å |
| 242 | T | 91.6 | Very high | 86.6 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 18% | 0.184 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -9.1 | 172.6 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | D240 R292 F293 E296 | D240-T242 PolarHBondContact O-N 2.94Å; T242-R292 CarbonylContact O-C 3.5Å; T242-R292 VanDerWaalsContact O-CA 3.3Å; T242-R292 WeakPolarHBondContact O-CA 3.38Å; T242-F293 PolarHBondContact O-N 3.25Å; T242-E296 HydrophobicContact CG2-CB 4.36Å |
| 243 | N | 94.1 | Very high | 86.2 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 117.8 | -175.7 | -169 | 21.6 | 0 | 0 | 0 | 110.3 | D240 R292 A325 | D240-N243 HydrophobicContact CB-CB 3.6Å; D240-N243 PolarHBondContact O-N 2.95Å; D240-N243 VanDerWaalsContact O-O 3.04Å; N243-R292 HydrophobicContact CB-CB 4.5Å; N243-R292 HydrophobicContact CB-CG 4.27Å; N243-A325 HydrophobicContact CB-CB 4.18Å; N243-A325 WeakPolarHBondContact O-CB 3.4Å; N243-A325 PolarHBondContact O-N 3.18Å |
| 244 | L | 94.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.5 | 174.7 | -58.5 | -171.9 | 0 | 0 | 0 | 110 | V246 F265 F290 V291 F293 A299 A302 A322 K323 F324 | L244-V246 HydrophobicContact CB-CG2 4.33Å; L244-F265 HydrophobicContact CD1-CE1 4.3Å; L244-F290 CarbonylContact O-C 3.58Å; L244-F290 VanDerWaalsContact O-CA 3.3Å; L244-F290 WeakPolarHBondContact O-CA 3.47Å; L244-V291 PolarHBondContact N-O 3.38Å; L244-V291 PolarHBondContact O-N 2.66Å; L244-F293 HydrophobicContact CD1-CD2 4.44Å; L244-F293 HydrophobicContact CD1-CE2 3.83Å; L244-F293 HydrophobicContact CG-CD2 4.47Å; L244-F293 HydrophobicContact CG-CE2 4.28Å; L244-A299 HydrophobicContact CD2-CB 4.18Å; L244-A299 HydrophobicContact CG-CB 4.32Å; L244-A302 HydrophobicContact CD1-CB 3.97Å; L244-A322 HydrophobicContact CB-CB 4.5Å; L244-A322 HydrophobicContact CD1-CB 4.17Å; L244-K323 CarbonylContact C-O 3.58Å; L244-K323 WeakPolarHBondContact CA-O 3.45Å; L244-F324 HydrophobicContact CD2-CD1 3.52Å; L244-F324 HydrophobicContact CD2-CE1 3.68Å; L244-F324 HydrophobicContact CD2-CG 4.32Å |
| 245 | Y | 93.6 | Very high | 85.5 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 122.3 | 159.9 | 178.1 | -126 | 0 | 0 | 0 | 108 | T247 V288 F290 A322 K323 | Y245-T247 HydrophobicContact CD1-CG2 3.83Å; Y245-T247 HydrophobicContact CE1-CG2 3.27Å; Y245-T247 HydrophobicContact CE2-CG2 4.33Å; Y245-V288 HydrophobicContact CE2-CB 3.81Å; Y245-V288 HydrophobicContact CE2-CG1 4.44Å; Y245-V288 HydrophobicContact CE2-CG2 3.84Å; Y245-F290 HydrophobicContact CD2-CD1 4.1Å; Y245-F290 AromaticContact CD2-CE1 3.53Å; Y245-F290 HydrophobicContact CD2-CE1 3.53Å; Y245-F290 HydrophobicContact CD2-CE2 4.04Å; Y245-F290 AromaticContact CD2-CZ 3.49Å; Y245-F290 HydrophobicContact CD2-CZ 3.49Å; Y245-F290 VanDerWaalsContact CD2-CZ 3.49Å; Y245-F290 HydrophobicContact CE2-CE1 4.4Å; Y245-F290 HydrophobicContact CE2-CE2 4.27Å; Y245-F290 AromaticContact CE2-CZ 3.91Å; Y245-F290 HydrophobicContact CE2-CZ 3.91Å; Y245-F290 HydrophobicContact CG-CE1 4.14Å; Y245-F290 HydrophobicContact CG-CZ 4.45Å; Y245-A322 CarbonylContact O-C 3.55Å; Y245-A322 WeakPolarHBondContact O-CA 3.35Å; Y245-K323 PolarHBondContact N-O 3.45Å; Y245-K323 PolarHBondContact O-N 3.08Å |
| 246 | V | 92.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.8 | -175.7 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | L244 L249 L261 F265 V288 G289 V291 V320 E321 A322 | L244-V246 HydrophobicContact CB-CG2 4.33Å; V246-L249 HydrophobicContact CG1-CD1 4.29Å; V246-L249 HydrophobicContact CG1-CD2 3.69Å; V246-L249 HydrophobicContact CG1-CG 4.03Å; V246-L261 HydrophobicContact CG1-CD1 4.43Å; V246-F265 HydrophobicContact CB-CZ 4.25Å; V246-F265 HydrophobicContact CG1-CE2 3.92Å; V246-F265 HydrophobicContact CG1-CZ 3.62Å; V246-F265 HydrophobicContact CG2-CE1 3.87Å; V246-F265 HydrophobicContact CG2-CE2 4.13Å; V246-F265 HydrophobicContact CG2-CZ 3.52Å; V246-V288 CarbonylContact O-C 3.55Å; V246-V288 WeakPolarHBondContact O-CA 3.49Å; V246-V288 WeakPolarHBondContact O-CB 3.49Å; V246-G289 PolarHBondContact N-O 2.82Å; V246-G289 PolarHBondContact O-N 3.46Å; V246-V291 HydrophobicContact CG2-CB 4.34Å; V246-V291 HydrophobicContact CG2-CG2 3.87Å; V246-V320 HydrophobicContact CG1-CG1 3.42Å; V246-V320 VanDerWaalsContact CG1-CG1 3.42Å; V246-E321 CarbonylContact C-O 3.52Å; V246-E321 WeakPolarHBondContact CA-O 3.43Å; V246-A322 HydrophobicContact CG2-CB 4.36Å |
| 247 | T | 90.7 | Very high | 86 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 15% | 0.153 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 156.5 | -175.8 | 48.8 | 0 | 0 | 0 | 0 | 111.6 | Y245 V288 E321 | Y245-T247 HydrophobicContact CD1-CG2 3.83Å; Y245-T247 HydrophobicContact CE1-CG2 3.27Å; Y245-T247 HydrophobicContact CE2-CG2 4.33Å; T247-V288 HydrophobicContact CG2-CB 4.42Å; T247-V288 HydrophobicContact CG2-CG1 3.89Å; T247-E321 PolarHBondContact N-O 2.81Å; T247-E321 PolarHBondContact O-N 2.83Å; T247-E321 VanDerWaalsContact O-N 3.08Å; T247-E321 WeakPolarHBondContact OG1-CB 3.47Å |
| 248 | N | 89.3 | Confident | 86.7 | Confident | 56 Ų | 56 | 58.2 Ų | 58.2 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 63.4 | 44.2 | -177.1 | -174.7 | 61.1 | 0 | 0 | 0 | 112.8 | G287 C316 V318 P319 | N248-G287 WeakPolarHBondContact CA-O 3.35Å; N248-G287 PolarHBondContact N-O 3.35Å; N248-C316 PolarHBondContact O-SG 2.84Å; N248-C316 VanDerWaalsContact O-SG 3.35Å; N248-V318 VanDerWaalsContact ND2-CB 3.29Å; N248-V318 WeakPolarHBondContact ND2-CB 3.49Å; N248-V318 WeakPolarHBondContact ND2-CG1 3.43Å; N248-V318 PolarHBondContact ND2-O 2.98Å; N248-P319 PolarHBondContact ND2-O 2.74Å |
| 249 | L | 89 | Confident | 87.2 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | trans | -78 | 156.4 | 164.2 | -62.4 | 179.9 | 0 | 0 | 0 | 110.7 | V246 W253 L261 V276 G287 L313 V320 | V246-L249 HydrophobicContact CG1-CD1 4.29Å; V246-L249 HydrophobicContact CG1-CD2 3.69Å; V246-L249 HydrophobicContact CG1-CG 4.03Å; L249-W253 HydrophobicContact CB-CE3 4.26Å; L249-W253 HydrophobicContact CD1-CE3 4.29Å; L249-W253 HydrophobicContact CD1-CZ3 4.49Å; L249-W253 HydrophobicContact CD2-CE3 4.23Å; L249-W253 HydrophobicContact CD2-CZ3 3.9Å; L249-L261 HydrophobicContact CD1-CD1 3.86Å; L249-L261 HydrophobicContact CD1-CD2 4.08Å; L249-L261 HydrophobicContact CD2-CD1 3.94Å; L249-V276 HydrophobicContact CD1-CG2 4.37Å; L249-G287 PolarHBondContact N-O 2.89Å; L249-G287 WeakPolarHBondContact O-CA 3.39Å; L249-L313 HydrophobicContact CD2-CD1 4.17Å; L249-V320 HydrophobicContact CD2-CG1 4.02Å; L249-V320 HydrophobicContact CD2-CG2 4.19Å | ||
| 250 | P | 84.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.019 | 28% | 0.277 | C | S | . | . | trans | -53.1 | 140 | 179.7 | -30.1 | 36.4 | 0 | 0 | 0 | 113.3 | T252 W253 L313 D315 C316 | P250-T252 WeakPolarHBondContact CB-OG1 3.35Å; P250-T252 PolarHBondContact O-N 2.83Å; P250-W253 HydrophobicContact CB-CB 4.4Å; P250-W253 HydrophobicContact CB-CD2 4.38Å; P250-W253 HydrophobicContact CB-CG 3.96Å; P250-W253 HydrophobicContact CG-CD2 4Å; P250-W253 HydrophobicContact CG-CG 4.1Å; P250-W253 PolarHBondContact O-N 2.83Å; P250-W253 VanDerWaalsContact O-N 3.11Å; P250-L313 HydrophobicContact CG-CB 4.07Å; P250-L313 HydrophobicContact CG-CD1 3.95Å; P250-D315 HydrophobicContact CB-CB 3.76Å; P250-D315 HydrophobicContact CG-CB 4.01Å; P250-C316 VanDerWaalsContact CD-SG 3.6Å; P250-C316 VanDerWaalsContact N-SG 3.4Å | ||
| 251 | R | 83.3 | Confident | 87.7 | Confident | 174 Ų | 174 | 55.2 Ų | 55.2 | 66% | 0.657 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -2.3 | 171.1 | -61.8 | -169.5 | -172.1 | -75.1 | 0.2 | 113.1 | T285 | R251-T285 VanDerWaalsContact C-OG1 3.27Å; R251-T285 VanDerWaalsContact CA-OG1 3.25Å; R251-T285 WeakPolarHBondContact CA-OG1 3.39Å; R251-T285 WeakPolarHBondContact O-CB 3.34Å; R251-T285 WeakPolarHBondContact O-CG2 3.3Å; R251-T285 PolarHBondContact O-OG1 3.37Å |
| 252 | T | 82 | Confident | 87.9 | Confident | 81 Ų | 81 | 53.1 Ų | 53.1 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -24 | 166.8 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | P250 T254 D315 | P250-T252 WeakPolarHBondContact CB-OG1 3.35Å; P250-T252 PolarHBondContact O-N 2.83Å; T252-T254 PolarHBondContact O-N 3.04Å; T252-D315 WeakPolarHBondContact CB-OD2 3.5Å; T252-D315 WeakPolarHBondContact CG2-OD2 3.4Å; T252-D315 PolarHBondContact OG1-OD2 2.84Å |
| 253 | W | 83.9 | Confident | 87.9 | Confident | 14 Ų | 14 | 54.7 Ų | 54.7 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | trans | -80.2 | 120.6 | -174.1 | -77.5 | 10.1 | 0 | 0 | 0 | 112.9 | L249 P250 D257 Q260 L261 V264 V276 T285 L313 | L249-W253 HydrophobicContact CB-CE3 4.26Å; L249-W253 HydrophobicContact CD1-CE3 4.29Å; L249-W253 HydrophobicContact CD1-CZ3 4.49Å; L249-W253 HydrophobicContact CD2-CE3 4.23Å; L249-W253 HydrophobicContact CD2-CZ3 3.9Å; P250-W253 HydrophobicContact CB-CB 4.4Å; P250-W253 HydrophobicContact CB-CD2 4.38Å; P250-W253 HydrophobicContact CB-CG 3.96Å; P250-W253 HydrophobicContact CG-CD2 4Å; P250-W253 HydrophobicContact CG-CG 4.1Å; P250-W253 PolarHBondContact O-N 2.83Å; P250-W253 VanDerWaalsContact O-N 3.11Å; W253-D257 HydrophobicContact CB-CB 4.02Å; W253-D257 HydrophobicContact CD2-CB 4.41Å; W253-D257 HydrophobicContact CG-CB 3.92Å; W253-Q260 HydrophobicContact CH2-CB 3.99Å; W253-Q260 HydrophobicContact CZ2-CB 3.61Å; W253-L261 HydrophobicContact CE3-CB 4.29Å; W253-L261 HydrophobicContact CH2-CB 4.48Å; W253-L261 HydrophobicContact CZ3-CB 3.73Å; W253-L261 HydrophobicContact CZ3-CD1 4.02Å; W253-L261 HydrophobicContact CZ3-CG 4.47Å; W253-V264 HydrophobicContact CH2-CG2 4.11Å; W253-V276 HydrophobicContact CB-CG1 4.34Å; W253-V276 HydrophobicContact CB-CG2 4.43Å; W253-V276 HydrophobicContact CE3-CG2 4.12Å; W253-T285 WeakPolarHBondContact O-CG2 3.39Å; W253-L313 HydrophobicContact CH2-CD1 3.63Å; W253-L313 HydrophobicContact CH2-CD2 4.34Å; W253-L313 HydrophobicContact CZ2-CD1 4Å; W253-L313 HydrophobicContact CZ2-CD2 4.42Å; W253-L313 HydrophobicContact CZ3-CD1 4Å | ||
| 254 | T | 83.2 | Confident | 87.7 | Confident | 46 Ų | 46 | 54.4 Ų | 54.4 | 28% | 0.282 | 28% | 0.276 | S | S | . | . | trans | -99.4 | 178 | 174.5 | 71.4 | 0 | 0 | 0 | 0 | 111 | T252 K256 D257 V276 M278 T285 | T252-T254 PolarHBondContact O-N 3.04Å; T254-K256 PolarHBondContact O-N 3.29Å; T254-K256 VanDerWaalsContact O-N 3.13Å; T254-K256 WeakPolarHBondContact OG1-CB 3.37Å; T254-K256 PolarHBondContact OG1-N 3.33Å; T254-K256 VanDerWaalsContact OG1-N 3.14Å; T254-D257 WeakPolarHBondContact CA-OD2 3.33Å; T254-D257 WeakPolarHBondContact CB-OD2 3.46Å; T254-D257 PolarHBondContact N-OD2 3.03Å; T254-D257 WeakPolarHBondContact O-CB 3.35Å; T254-D257 PolarHBondContact O-N 3.32Å; T254-D257 PolarHBondContact OG1-OD2 3.49Å; T254-V276 WeakPolarHBondContact O-CB 3.31Å; T254-M278 HydrophobicContact CG2-SD 4.32Å; T254-T285 HydrophobicContact CG2-CG2 4.41Å | ||
| 255 | T | 81.9 | Confident | 87.6 | Confident | 70 Ų | 70 | 54.4 Ų | 54.4 | 43% | 0.429 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -59.8 | -19.6 | 170.3 | -58.4 | 0 | 0 | 0 | 0 | 113.2 | D257 S258 V276 M278 | T255-D257 VanDerWaalsContact C-N 3.3Å; T255-S258 WeakPolarHBondContact O-CB 3.06Å; T255-S258 PolarHBondContact O-OG 2.94Å; T255-V276 PolarHBondContact OG1-O 2.81Å; T255-M278 PolarHBondContact N-SD 2.92Å; T255-M278 WeakPolarHBondContact OG1-CE 3.37Å; T255-M278 WeakPolarHBondContact OG1-CG 3.39Å |
| 256 | K | 81 | Confident | 87.5 | Confident | 182 Ų | 182 | 54.5 Ų | 54.5 | 79% | 0.791 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -69.4 | -29.1 | 170.8 | -60.4 | -177.5 | 178.5 | -179.2 | 0 | 112.4 | T254 S258 | T254-K256 PolarHBondContact O-N 3.29Å; T254-K256 VanDerWaalsContact O-N 3.13Å; T254-K256 WeakPolarHBondContact OG1-CB 3.37Å; T254-K256 PolarHBondContact OG1-N 3.33Å; T254-K256 VanDerWaalsContact OG1-N 3.14Å; K256-S258 PolarHBondContact O-N 2.86Å |
| 257 | D | 84.8 | Confident | 87.4 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -85.8 | 10.2 | -177.7 | -51.5 | -75.8 | 0 | 0 | 0 | 112.4 | W253 T254 T255 D259 Q260 L261 | W253-D257 HydrophobicContact CB-CB 4.02Å; W253-D257 HydrophobicContact CD2-CB 4.41Å; W253-D257 HydrophobicContact CG-CB 3.92Å; T254-D257 WeakPolarHBondContact CA-OD2 3.33Å; T254-D257 WeakPolarHBondContact CB-OD2 3.46Å; T254-D257 PolarHBondContact N-OD2 3.03Å; T254-D257 WeakPolarHBondContact O-CB 3.35Å; T254-D257 PolarHBondContact O-N 3.32Å; T254-D257 PolarHBondContact OG1-OD2 3.49Å; T255-D257 VanDerWaalsContact C-N 3.3Å; D257-D259 PolarHBondContact O-N 2.89Å; D257-Q260 HydrophobicContact CB-CG 4.17Å; D257-Q260 WeakPolarHBondContact O-CA 3.44Å; D257-Q260 VanDerWaalsContact O-CB 3.3Å; D257-Q260 WeakPolarHBondContact O-CB 3.44Å; D257-Q260 PolarHBondContact O-N 3.04Å; D257-Q260 PolarHBondContact OD1-NE2 3.24Å; D257-L261 PolarHBondContact O-N 3.29Å; D257-L261 VanDerWaalsContact O-N 3.11Å |
| 258 | S | 86.6 | Confident | 87.4 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 11% | 0.105 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.2 | -30.8 | 171.6 | -59.9 | 0 | 0 | 0 | 0 | 112.8 | T255 K256 L261 K262 F275 V276 | T255-S258 WeakPolarHBondContact O-CB 3.06Å; T255-S258 PolarHBondContact O-OG 2.94Å; K256-S258 PolarHBondContact O-N 2.86Å; S258-L261 PolarHBondContact O-N 3.46Å; S258-K262 PolarHBondContact O-N 2.66Å; S258-F275 WeakPolarHBondContact OG-CA 3.36Å; S258-V276 PolarHBondContact OG-N 2.83Å; S258-V276 VanDerWaalsContact OG-N 3.13Å |
| 259 | D | 89.3 | Confident | 87.5 | Confident | 120 Ų | 120 | 61 Ų | 61 | 64% | 0.642 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -71.8 | -29.2 | 173.6 | -66.9 | -47 | 0 | 0 | 0 | 112.6 | D257 K262 A263 | D257-D259 PolarHBondContact O-N 2.89Å; D259-K262 PolarHBondContact O-N 3.35Å; D259-A263 WeakPolarHBondContact O-CB 3.46Å; D259-A263 PolarHBondContact O-N 3.32Å |
| 260 | Q | 88 | Confident | 87.7 | Confident | 90 Ų | 90 | 67.1 Ų | 67.1 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.4 | -44.9 | 170.6 | -51.4 | -166.9 | 36.5 | 0 | 0 | 110.3 | W253 D257 K262 A263 V264 | W253-Q260 HydrophobicContact CH2-CB 3.99Å; W253-Q260 HydrophobicContact CZ2-CB 3.61Å; D257-Q260 HydrophobicContact CB-CG 4.17Å; D257-Q260 WeakPolarHBondContact O-CA 3.44Å; D257-Q260 VanDerWaalsContact O-CB 3.3Å; D257-Q260 WeakPolarHBondContact O-CB 3.44Å; D257-Q260 PolarHBondContact O-N 3.04Å; D257-Q260 PolarHBondContact OD1-NE2 3.24Å; Q260-K262 VanDerWaalsContact C-N 3.29Å; Q260-K262 PolarHBondContact O-N 3.31Å; Q260-A263 PolarHBondContact O-N 2.89Å; Q260-V264 WeakPolarHBondContact O-CG2 3.43Å; Q260-V264 PolarHBondContact O-N 3.46Å |
| 261 | L | 90.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.2 | -41.8 | 173.4 | 177.8 | 63.2 | 0 | 0 | 0 | 111.3 | V246 L249 W253 D257 S258 F265 A274 V276 V291 | V246-L261 HydrophobicContact CG1-CD1 4.43Å; L249-L261 HydrophobicContact CD1-CD1 3.86Å; L249-L261 HydrophobicContact CD1-CD2 4.08Å; L249-L261 HydrophobicContact CD2-CD1 3.94Å; W253-L261 HydrophobicContact CE3-CB 4.29Å; W253-L261 HydrophobicContact CH2-CB 4.48Å; W253-L261 HydrophobicContact CZ3-CB 3.73Å; W253-L261 HydrophobicContact CZ3-CD1 4.02Å; W253-L261 HydrophobicContact CZ3-CG 4.47Å; D257-L261 PolarHBondContact O-N 3.29Å; D257-L261 VanDerWaalsContact O-N 3.11Å; S258-L261 PolarHBondContact O-N 3.46Å; L261-F265 HydrophobicContact CD1-CD2 3.78Å; L261-F265 HydrophobicContact CD1-CE2 3.69Å; L261-F265 WeakPolarHBondContact O-CD2 3.25Å; L261-F265 PolarHBondContact O-N 2.91Å; L261-A274 HydrophobicContact CD2-CB 4.34Å; L261-A274 HydrophobicContact CG-CB 4.26Å; L261-V276 HydrophobicContact CB-CG2 4.12Å; L261-V276 HydrophobicContact CD2-CG2 3.95Å; L261-V291 HydrophobicContact CD1-CG2 3.86Å; L261-V291 HydrophobicContact CD2-CG2 3.86Å; L261-V291 HydrophobicContact CG-CG2 3.7Å |
| 262 | K | 92.8 | Very high | 88.5 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 28% | 0.283 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.6 | -58.8 | 172.8 | -174.8 | 177.8 | 176 | -83.4 | 0 | 110.9 | S258 D259 Q260 V264 F265 E266 I271 A274 | S258-K262 PolarHBondContact O-N 2.66Å; D259-K262 PolarHBondContact O-N 3.35Å; Q260-K262 VanDerWaalsContact C-N 3.29Å; Q260-K262 PolarHBondContact O-N 3.31Å; K262-V264 PolarHBondContact O-N 3.49Å; K262-V264 VanDerWaalsContact O-N 3.16Å; K262-F265 PolarHBondContact O-N 2.88Å; K262-E266 IonicContact NZ-OE1 3.41Å; K262-E266 PolarHBondContact NZ-OE1 2.8Å; K262-E266 IonicContact NZ-OE2 2.67Å; K262-E266 PolarHBondContact NZ-OE2 2.89Å; K262-E266 VanDerWaalsContact O-CB 3.28Å; K262-E266 WeakPolarHBondContact O-CB 3.46Å; K262-E266 PolarHBondContact O-N 2.96Å; K262-I271 HydrophobicContact CB-CD1 4.48Å; K262-I271 HydrophobicContact CG-CB 4.33Å; K262-I271 HydrophobicContact CG-CD1 3.92Å; K262-I271 HydrophobicContact CG-CG2 4.22Å; K262-I271 VanDerWaalsContact O-CD1 3.28Å; K262-I271 WeakPolarHBondContact O-CD1 2.94Å; K262-A274 HydrophobicContact CB-CB 3.98Å |
| 263 | A | 91 | Very high | 89 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 52% | 0.521 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.7 | -29.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D259 Q260 | D259-A263 WeakPolarHBondContact O-CB 3.46Å; D259-A263 PolarHBondContact O-N 3.32Å; Q260-A263 PolarHBondContact O-N 2.89Å |
| 264 | V | 89.6 | Confident | 89.4 | Confident | 18 Ų | 18 | 63.5 Ų | 63.5 | 11% | 0.109 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.4 | -47.1 | 172.2 | 167.3 | 0 | 0 | 0 | 0 | 111.6 | W253 Q260 K262 R267 L311 L313 | W253-V264 HydrophobicContact CH2-CG2 4.11Å; Q260-V264 WeakPolarHBondContact O-CG2 3.43Å; Q260-V264 PolarHBondContact O-N 3.46Å; K262-V264 PolarHBondContact O-N 3.49Å; K262-V264 VanDerWaalsContact O-N 3.16Å; V264-R267 WeakPolarHBondContact O-CG 3.37Å; V264-R267 PolarHBondContact O-NE 3.4Å; V264-L311 HydrophobicContact CG1-CD2 3.51Å; V264-L313 HydrophobicContact CG2-CD2 4.01Å |
| 265 | F | 91.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -84.7 | -20.1 | -176.1 | -82.7 | -106.8 | 0 | 0 | 0 | 114.3 | L244 V246 L261 K262 R267 F268 I271 V291 F293 L306 V320 A322 | L244-F265 HydrophobicContact CD1-CE1 4.3Å; V246-F265 HydrophobicContact CB-CZ 4.25Å; V246-F265 HydrophobicContact CG1-CE2 3.92Å; V246-F265 HydrophobicContact CG1-CZ 3.62Å; V246-F265 HydrophobicContact CG2-CE1 3.87Å; V246-F265 HydrophobicContact CG2-CE2 4.13Å; V246-F265 HydrophobicContact CG2-CZ 3.52Å; L261-F265 HydrophobicContact CD1-CD2 3.78Å; L261-F265 HydrophobicContact CD1-CE2 3.69Å; L261-F265 WeakPolarHBondContact O-CD2 3.25Å; L261-F265 PolarHBondContact O-N 2.91Å; K262-F265 PolarHBondContact O-N 2.88Å; F265-R267 PolarHBondContact O-N 2.66Å; F265-R267 VanDerWaalsContact O-N 3.08Å; F265-F268 HydrophobicContact CD1-CD2 4.27Å; F265-F268 WeakPolarHBondContact O-CD2 3.43Å; F265-F268 PolarHBondContact O-N 3.25Å; F265-I271 HydrophobicContact CB-CD1 3.61Å; F265-V291 HydrophobicContact CB-CG1 3.86Å; F265-V291 HydrophobicContact CB-CG2 4.44Å; F265-V291 HydrophobicContact CD1-CB 4.32Å; F265-V291 HydrophobicContact CD1-CG1 4.13Å; F265-V291 HydrophobicContact CD1-CG2 4.26Å; F265-V291 HydrophobicContact CD2-CG2 4.11Å; F265-V291 HydrophobicContact CE2-CG2 4.47Å; F265-V291 HydrophobicContact CG-CB 4.43Å; F265-V291 HydrophobicContact CG-CG1 4.08Å; F265-V291 HydrophobicContact CG-CG2 4.02Å; F265-F293 HydrophobicContact CB-CZ 4.21Å; F265-F293 HydrophobicContact CD1-CE2 4.32Å; F265-F293 HydrophobicContact CD1-CZ 4.17Å; F265-L306 HydrophobicContact CE1-CD1 3.57Å; F265-L306 HydrophobicContact CZ-CD1 3.75Å; F265-V320 HydrophobicContact CE2-CG1 4.46Å; F265-V320 HydrophobicContact CZ-CG1 4.31Å; F265-A322 HydrophobicContact CE1-CB 4.33Å |
| 266 | E | 92.3 | Very high | 90.1 | Very high | 83 Ų | 83 | 62.3 Ų | 62.3 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -62.8 | -17.8 | -177.5 | -170.5 | 153.6 | -140.4 | 0 | 0 | 112.8 | K262 F268 G269 I271 | K262-E266 IonicContact NZ-OE1 3.41Å; K262-E266 PolarHBondContact NZ-OE1 2.8Å; K262-E266 IonicContact NZ-OE2 2.67Å; K262-E266 PolarHBondContact NZ-OE2 2.89Å; K262-E266 VanDerWaalsContact O-CB 3.28Å; K262-E266 WeakPolarHBondContact O-CB 3.46Å; K262-E266 PolarHBondContact O-N 2.96Å; E266-F268 PolarHBondContact O-N 3.11Å; E266-G269 PolarHBondContact O-N 3.5Å; E266-I271 HydrophobicContact CB-CD1 4.08Å |
| 267 | R | 90.2 | Very high | 90.4 | Very high | 161 Ų | 161 | 57.9 Ų | 57.9 | 61% | 0.608 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -63.8 | -18.9 | 170.1 | 79.7 | -174.9 | 68.4 | -161.3 | -6.7 | 114.5 | V264 F265 | V264-R267 WeakPolarHBondContact O-CG 3.37Å; V264-R267 PolarHBondContact O-NE 3.4Å; F265-R267 PolarHBondContact O-N 2.66Å; F265-R267 VanDerWaalsContact O-N 3.08Å |
| 268 | F | 90.7 | Very high | 90.3 | Very high | 40 Ų | 40 | 59.1 Ų | 59.1 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -100.1 | -12.2 | -177 | -54.6 | -62.3 | 0 | 0 | 0 | 113.4 | F265 E266 F293 A302 S305 L306 | F265-F268 HydrophobicContact CD1-CD2 4.27Å; F265-F268 WeakPolarHBondContact O-CD2 3.43Å; F265-F268 PolarHBondContact O-N 3.25Å; E266-F268 PolarHBondContact O-N 3.11Å; F268-F293 HydrophobicContact CB-CE1 4.4Å; F268-F293 HydrophobicContact CB-CZ 4.37Å; F268-A302 HydrophobicContact CB-CB 3.61Å; F268-A302 HydrophobicContact CD2-CB 3.84Å; F268-A302 HydrophobicContact CG-CB 3.81Å; F268-S305 VanDerWaalsContact CE1-CB 3.4Å; F268-L306 HydrophobicContact CE2-CD2 4.33Å; F268-L306 HydrophobicContact CE2-CG 4.29Å; F268-L306 HydrophobicContact CZ-CD2 4.23Å; F268-L306 HydrophobicContact CZ-CG 4.28Å |
| 269 | G | 91.2 | Very high | 90 | Very high | 18 Ų | 18 | 62.3 Ų | 62.3 | 19% | 0.186 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 151.9 | -177.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E266 I271 D298 | E266-G269 PolarHBondContact O-N 3.5Å; G269-I271 PolarHBondContact O-N 2.63Å; G269-D298 WeakPolarHBondContact CA-OD2 3.49Å |
| 270 | H | 92.9 | Very high | 89.2 | Confident | 131 Ų | 131 | 67.5 Ų | 67.5 | 61% | 0.606 | 32% | 0.323 | S | S | * | . | trans | -79.5 | 123 | -170.8 | -69.6 | -68.5 | 0 | 0 | 0 | 112.1 | F293 V294 D298 | H270-F293 CarbonylContact O-C 3.53Å; H270-F293 VanDerWaalsContact O-CA 3.32Å; H270-F293 WeakPolarHBondContact O-CA 3.4Å; H270-V294 HydrophobicContact CB-CB 4.3Å; H270-V294 HydrophobicContact CB-CG2 4.03Å; H270-V294 PolarHBondContact O-N 3.31Å; H270-D298 PolarHBondContact N-OD2 2.91Å | ||
| 271 | I | 93.8 | Very high | 88.5 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 9% | 0.092 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 125 | 180 | -65.2 | 172.4 | 0 | 0 | 0 | 110.5 | K262 F265 E266 G269 A274 V291 R292 F293 | K262-I271 HydrophobicContact CB-CD1 4.48Å; K262-I271 HydrophobicContact CG-CB 4.33Å; K262-I271 HydrophobicContact CG-CD1 3.92Å; K262-I271 HydrophobicContact CG-CG2 4.22Å; K262-I271 VanDerWaalsContact O-CD1 3.28Å; K262-I271 WeakPolarHBondContact O-CD1 2.94Å; F265-I271 HydrophobicContact CB-CD1 3.61Å; E266-I271 HydrophobicContact CB-CD1 4.08Å; G269-I271 PolarHBondContact O-N 2.63Å; I271-A274 HydrophobicContact CG2-CB 4.15Å; I271-V291 HydrophobicContact CD1-CG1 3.79Å; I271-V291 HydrophobicContact CG1-CG1 3.94Å; I271-V291 HydrophobicContact CG2-CG1 4.27Å; I271-R292 CarbonylContact C-O 3.55Å; I271-F293 HydrophobicContact CG1-CD1 4.17Å; I271-F293 HydrophobicContact CG1-CE1 3.93Å; I271-F293 HydrophobicContact CG1-CZ 4.34Å |
| 272 | Q | 92.3 | Very high | 87.7 | Confident | 111 Ų | 111 | 73 Ų | 73 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -39.8 | 170 | -178.1 | 175 | 75.2 | 0 | 0 | 111.9 | R292 V294 | Q272-R292 PolarHBondContact N-O 3.4Å; Q272-R292 VanDerWaalsContact OE1-CD 3.29Å; Q272-V294 HydrophobicContact CB-CG2 4.09Å |
| 273 | S | 90.9 | Very high | 86.6 | Confident | 48 Ų | 48 | 75.7 Ų | 75.7 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 134.7 | 174.6 | 62.7 | 0 | 0 | 0 | 0 | 111.4 | R292 | S273-R292 PolarHBondContact N-O 2.9Å; S273-R292 VanDerWaalsContact N-O 3.17Å; S273-R292 PolarHBondContact O-N 3.09Å |
| 274 | A | 92.7 | Very high | 85.7 | Confident | 20 Ų | 20 | 78.9 Ų | 78.9 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 143.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110 | L261 K262 I271 F290 V291 | L261-A274 HydrophobicContact CD2-CB 4.34Å; L261-A274 HydrophobicContact CG-CB 4.26Å; K262-A274 HydrophobicContact CB-CB 3.98Å; I271-A274 HydrophobicContact CG2-CB 4.15Å; A274-F290 CarbonylContact C-O 3.56Å; A274-F290 VanDerWaalsContact CA-O 3.29Å; A274-F290 WeakPolarHBondContact CA-O 3.35Å; A274-V291 HydrophobicContact CB-CG2 4.1Å |
| 275 | F | 90 | Very high | 85 | Confident | 89 Ų | 89 | 78.9 Ų | 78.9 | 39% | 0.39 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 139 | 171.5 | 61.2 | -87.3 | 0 | 0 | 0 | 112.9 | S258 G289 F290 | S258-F275 WeakPolarHBondContact OG-CA 3.36Å; F275-G289 CarbonylContact O-C 3.55Å; F275-G289 WeakPolarHBondContact O-CA 3.34Å; F275-F290 HydrophobicContact CD1-CB 4.27Å; F275-F290 HydrophobicContact CD2-CD2 4.33Å; F275-F290 HydrophobicContact CE1-CB 3.73Å; F275-F290 HydrophobicContact CE1-CG 4.42Å; F275-F290 HydrophobicContact CE2-CB 4.1Å; F275-F290 AromaticContact CE2-CD2 3.5Å; F275-F290 HydrophobicContact CE2-CD2 3.5Å; F275-F290 VanDerWaalsContact CE2-CD2 3.5Å; F275-F290 HydrophobicContact CE2-CE2 4.32Å; F275-F290 HydrophobicContact CE2-CG 4.14Å; F275-F290 HydrophobicContact CZ-CB 3.64Å; F275-F290 AromaticContact CZ-CD2 3.64Å; F275-F290 HydrophobicContact CZ-CD2 3.64Å; F275-F290 AromaticContact CZ-CG 3.84Å; F275-F290 HydrophobicContact CZ-CG 3.84Å; F275-F290 PolarHBondContact N-O 2.69Å; F275-F290 PolarHBondContact O-N 3.41Å |
| 276 | V | 90.9 | Very high | 84.5 | Confident | 2 Ų | 2 | 81.1 Ų | 81.1 | 1% | 0.012 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 130.9 | 170.9 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | L249 W253 T254 T255 S258 L261 | L249-V276 HydrophobicContact CD1-CG2 4.37Å; W253-V276 HydrophobicContact CB-CG1 4.34Å; W253-V276 HydrophobicContact CB-CG2 4.43Å; W253-V276 HydrophobicContact CE3-CG2 4.12Å; T254-V276 WeakPolarHBondContact O-CB 3.31Å; T255-V276 PolarHBondContact OG1-O 2.81Å; S258-V276 PolarHBondContact OG-N 2.83Å; S258-V276 VanDerWaalsContact OG-N 3.13Å; L261-V276 HydrophobicContact CB-CG2 4.12Å; L261-V276 HydrophobicContact CD2-CG2 3.95Å |
| 277 | M | 86.1 | Confident | 84.2 | Confident | 89 Ų | 89 | 77.4 Ų | 77.4 | 44% | 0.438 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 145 | 178.2 | -169.8 | 67.7 | 175.1 | 0 | 0 | 110.4 | T286 V288 | M277-T286 VanDerWaalsContact C-OG1 3.25Å; M277-T286 WeakPolarHBondContact CB-OG1 3.48Å; M277-T286 PolarHBondContact O-OG1 3.47Å; M277-V288 HydrophobicContact CB-CG2 3.99Å; M277-V288 WeakPolarHBondContact CB-O 3.24Å; M277-V288 HydrophobicContact CG-CG2 4.46Å; M277-V288 PolarHBondContact N-O 2.87Å |
| 278 | M | 83.2 | Confident | 84.3 | Confident | 60 Ų | 60 | 70.8 Ų | 70.8 | 30% | 0.296 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.3 | 174.3 | -59.6 | -166.5 | -49.2 | 0 | 0 | 110.6 | T254 T255 R280 | T254-M278 HydrophobicContact CG2-SD 4.32Å; T255-M278 PolarHBondContact N-SD 2.92Å; T255-M278 WeakPolarHBondContact OG1-CE 3.37Å; T255-M278 WeakPolarHBondContact OG1-CG 3.39Å; M278-R280 PolarHBondContact O-N 3.35Å |
| 279 | E | 79.9 | Confident | 84.3 | Confident | 82 Ų | 82 | 68.9 Ų | 68.9 | 38% | 0.383 | 35% | 0.345 | S | S | . | . | trans | -79.2 | 114.3 | 176.4 | -175.3 | 168 | -110 | 0 | 0 | 110 | L281 T282 N283 K284 T286 | E279-L281 VanDerWaalsContact C-N 3.3Å; E279-L281 PolarHBondContact O-N 2.76Å; E279-T282 WeakPolarHBondContact CB-OG1 3.39Å; E279-T282 VanDerWaalsContact CD-OG1 3.29Å; E279-T282 HydrophobicContact CG-CG2 4.34Å; E279-T282 VanDerWaalsContact CG-OG1 3.24Å; E279-T282 WeakPolarHBondContact CG-OG1 3.13Å; E279-T282 WeakPolarHBondContact OE2-CB 3.29Å; E279-T282 VanDerWaalsContact OE2-CG2 3.28Å; E279-T282 WeakPolarHBondContact OE2-CG2 3.41Å; E279-T282 PolarHBondContact OE2-OG1 2.61Å; E279-N283 VanDerWaalsContact O-CA 3.26Å; E279-N283 WeakPolarHBondContact O-CA 3.48Å; E279-N283 PolarHBondContact O-N 3.42Å; E279-K284 HydrophobicContact CB-CB 4.34Å; E279-K284 WeakPolarHBondContact CB-O 3.15Å; E279-K284 PolarHBondContact N-O 2.61Å; E279-T286 HydrophobicContact CB-CG2 4.02Å | ||
| 280 | R | 73.5 | Confident | 84.5 | Confident | 228 Ų | 228 | 70.4 Ų | 70.4 | 86% | 0.86 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -30.8 | -170.1 | 177.9 | 172.8 | -72 | 136.1 | 0.4 | 114.1 | M278 | M278-R280 PolarHBondContact O-N 3.35Š|
| 281 | L | 73.7 | Confident | 84.5 | Confident | 126 Ų | 126 | 64.1 Ų | 64.1 | 66% | 0.66 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -38.2 | -174.7 | -59.4 | 179.3 | 0 | 0 | 0 | 112.4 | E197 E279 | E197-L281 HydrophobicContact CB-CD1 4.3Å; E279-L281 VanDerWaalsContact C-N 3.3Å; E279-L281 PolarHBondContact O-N 2.76Å |
| 282 | T | 73.3 | Confident | 84.5 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -13.4 | -172.9 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | E279 K284 | E279-T282 WeakPolarHBondContact CB-OG1 3.39Å; E279-T282 VanDerWaalsContact CD-OG1 3.29Å; E279-T282 HydrophobicContact CG-CG2 4.34Å; E279-T282 VanDerWaalsContact CG-OG1 3.24Å; E279-T282 WeakPolarHBondContact CG-OG1 3.13Å; E279-T282 WeakPolarHBondContact OE2-CB 3.29Å; E279-T282 VanDerWaalsContact OE2-CG2 3.28Å; E279-T282 WeakPolarHBondContact OE2-CG2 3.41Å; E279-T282 PolarHBondContact OE2-OG1 2.61Å; T282-K284 PolarHBondContact O-N 2.82Å; T282-K284 WeakPolarHBondContact OG1-CB 3.36Å; T282-K284 PolarHBondContact OG1-N 2.92Å |
| 283 | N | 69.2 | Low | 84.7 | Confident | 122 Ų | 122 | 62.5 Ų | 62.5 | 65% | 0.652 | 31% | 0.305 | S | S | * | . | trans | 55.3 | 18.6 | -162.6 | -62.4 | -80.2 | 0 | 0 | 0 | 113.9 | E279 | E279-N283 VanDerWaalsContact O-CA 3.26Å; E279-N283 WeakPolarHBondContact O-CA 3.48Å; E279-N283 PolarHBondContact O-N 3.42Å | ||
| 284 | K | 71.7 | Confident | 84.8 | Confident | 129 Ų | 129 | 64.1 Ų | 64.1 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | trans | -74.7 | 136.8 | 179.6 | -167.6 | 176.4 | -178.4 | -179.5 | 0 | 110.2 | E279 T282 T286 | E279-K284 HydrophobicContact CB-CB 4.34Å; E279-K284 WeakPolarHBondContact CB-O 3.15Å; E279-K284 PolarHBondContact N-O 2.61Å; T282-K284 PolarHBondContact O-N 2.82Å; T282-K284 WeakPolarHBondContact OG1-CB 3.36Å; T282-K284 PolarHBondContact OG1-N 2.92Å; K284-T286 PolarHBondContact O-N 2.98Å | ||
| 285 | T | 75.2 | Confident | 84.9 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 118.7 | 173.1 | 53.5 | 0 | 0 | 0 | 0 | 109.1 | R251 W253 T254 G287 | R251-T285 VanDerWaalsContact C-OG1 3.27Å; R251-T285 VanDerWaalsContact CA-OG1 3.25Å; R251-T285 WeakPolarHBondContact CA-OG1 3.39Å; R251-T285 WeakPolarHBondContact O-CB 3.34Å; R251-T285 WeakPolarHBondContact O-CG2 3.3Å; R251-T285 PolarHBondContact O-OG1 3.37Å; W253-T285 WeakPolarHBondContact O-CG2 3.39Å; T254-T285 HydrophobicContact CG2-CG2 4.41Å; T285-G287 PolarHBondContact O-N 2.61Å |
| 286 | T | 80.9 | Confident | 85 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | -12.8 | -178 | 42 | 0 | 0 | 0 | 0 | 112.7 | M277 E279 K284 V288 | M277-T286 VanDerWaalsContact C-OG1 3.25Å; M277-T286 WeakPolarHBondContact CB-OG1 3.48Å; M277-T286 PolarHBondContact O-OG1 3.47Å; E279-T286 HydrophobicContact CB-CG2 4.02Å; K284-T286 PolarHBondContact O-N 2.98Å; T286-V288 VanDerWaalsContact C-N 3.25Å; T286-V288 PolarHBondContact O-N 3.5Å |
| 287 | G | 86.6 | Confident | 85.2 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.1 | 23.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N248 L249 T285 | N248-G287 WeakPolarHBondContact CA-O 3.35Å; N248-G287 PolarHBondContact N-O 3.35Å; L249-G287 PolarHBondContact N-O 2.89Å; L249-G287 WeakPolarHBondContact O-CA 3.39Å; T285-G287 PolarHBondContact O-N 2.61Å |
| 288 | V | 90.9 | Very high | 85.6 | Confident | 23 Ų | 23 | 68.8 Ų | 68.8 | 14% | 0.139 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 155.3 | -179.4 | -47.8 | 0 | 0 | 0 | 0 | 110.1 | Y245 V246 T247 M277 T286 | Y245-V288 HydrophobicContact CE2-CB 3.81Å; Y245-V288 HydrophobicContact CE2-CG1 4.44Å; Y245-V288 HydrophobicContact CE2-CG2 3.84Å; V246-V288 CarbonylContact O-C 3.55Å; V246-V288 WeakPolarHBondContact O-CA 3.49Å; V246-V288 WeakPolarHBondContact O-CB 3.49Å; T247-V288 HydrophobicContact CG2-CB 4.42Å; T247-V288 HydrophobicContact CG2-CG1 3.89Å; M277-V288 HydrophobicContact CB-CG2 3.99Å; M277-V288 WeakPolarHBondContact CB-O 3.24Å; M277-V288 HydrophobicContact CG-CG2 4.46Å; M277-V288 PolarHBondContact N-O 2.87Å; T286-V288 VanDerWaalsContact C-N 3.25Å; T286-V288 PolarHBondContact O-N 3.5Å |
| 289 | G | 92.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | -179.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V246 F275 | V246-G289 PolarHBondContact N-O 2.82Å; V246-G289 PolarHBondContact O-N 3.46Å; F275-G289 CarbonylContact O-C 3.55Å; F275-G289 WeakPolarHBondContact O-CA 3.34Å |
| 290 | F | 93.9 | Very high | 86.7 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 138.7 | 177 | -66.6 | -92.6 | 0 | 0 | 0 | 110.1 | L244 Y245 A274 F275 A325 | L244-F290 CarbonylContact O-C 3.58Å; L244-F290 VanDerWaalsContact O-CA 3.3Å; L244-F290 WeakPolarHBondContact O-CA 3.47Å; Y245-F290 HydrophobicContact CD2-CD1 4.1Å; Y245-F290 AromaticContact CD2-CE1 3.53Å; Y245-F290 HydrophobicContact CD2-CE1 3.53Å; Y245-F290 HydrophobicContact CD2-CE2 4.04Å; Y245-F290 AromaticContact CD2-CZ 3.49Å; Y245-F290 HydrophobicContact CD2-CZ 3.49Å; Y245-F290 VanDerWaalsContact CD2-CZ 3.49Å; Y245-F290 HydrophobicContact CE2-CE1 4.4Å; Y245-F290 HydrophobicContact CE2-CE2 4.27Å; Y245-F290 AromaticContact CE2-CZ 3.91Å; Y245-F290 HydrophobicContact CE2-CZ 3.91Å; Y245-F290 HydrophobicContact CG-CE1 4.14Å; Y245-F290 HydrophobicContact CG-CZ 4.45Å; A274-F290 CarbonylContact C-O 3.56Å; A274-F290 VanDerWaalsContact CA-O 3.29Å; A274-F290 WeakPolarHBondContact CA-O 3.35Å; F275-F290 HydrophobicContact CD1-CB 4.27Å; F275-F290 HydrophobicContact CD2-CD2 4.33Å; F275-F290 HydrophobicContact CE1-CB 3.73Å; F275-F290 HydrophobicContact CE1-CG 4.42Å; F275-F290 HydrophobicContact CE2-CB 4.1Å; F275-F290 AromaticContact CE2-CD2 3.5Å; F275-F290 HydrophobicContact CE2-CD2 3.5Å; F275-F290 VanDerWaalsContact CE2-CD2 3.5Å; F275-F290 HydrophobicContact CE2-CE2 4.32Å; F275-F290 HydrophobicContact CE2-CG 4.14Å; F275-F290 HydrophobicContact CZ-CB 3.64Å; F275-F290 AromaticContact CZ-CD2 3.64Å; F275-F290 HydrophobicContact CZ-CD2 3.64Å; F275-F290 AromaticContact CZ-CG 3.84Å; F275-F290 HydrophobicContact CZ-CG 3.84Å; F275-F290 PolarHBondContact N-O 2.69Å; F275-F290 PolarHBondContact O-N 3.41Å; F290-A325 HydrophobicContact CD1-CB 4.03Å; F290-A325 HydrophobicContact CE1-CB 3.97Å |
| 291 | V | 94.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 108.9 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | L244 V246 L261 F265 I271 A274 F293 | L244-V291 PolarHBondContact N-O 3.38Å; L244-V291 PolarHBondContact O-N 2.66Å; V246-V291 HydrophobicContact CG2-CB 4.34Å; V246-V291 HydrophobicContact CG2-CG2 3.87Å; L261-V291 HydrophobicContact CD1-CG2 3.86Å; L261-V291 HydrophobicContact CD2-CG2 3.86Å; L261-V291 HydrophobicContact CG-CG2 3.7Å; F265-V291 HydrophobicContact CB-CG1 3.86Å; F265-V291 HydrophobicContact CB-CG2 4.44Å; F265-V291 HydrophobicContact CD1-CB 4.32Å; F265-V291 HydrophobicContact CD1-CG1 4.13Å; F265-V291 HydrophobicContact CD1-CG2 4.26Å; F265-V291 HydrophobicContact CD2-CG2 4.11Å; F265-V291 HydrophobicContact CE2-CG2 4.47Å; F265-V291 HydrophobicContact CG-CB 4.43Å; F265-V291 HydrophobicContact CG-CG1 4.08Å; F265-V291 HydrophobicContact CG-CG2 4.02Å; I271-V291 HydrophobicContact CD1-CG1 3.79Å; I271-V291 HydrophobicContact CG1-CG1 3.94Å; I271-V291 HydrophobicContact CG2-CG1 4.27Å; A274-V291 HydrophobicContact CB-CG2 4.1Å; V291-F293 HydrophobicContact CG1-CD2 4.28Å; V291-F293 HydrophobicContact CG1-CE2 3.76Å; V291-F293 HydrophobicContact CG1-CZ 4.14Å |
| 292 | R | 94.2 | Very high | 88.6 | Confident | 93 Ų | 93 | 50.3 Ų | 50.3 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 117.6 | 176.9 | -166.8 | 178 | -170.2 | -159.3 | 9.7 | 110.4 | T242 N243 I271 Q272 S273 | T242-R292 CarbonylContact O-C 3.5Å; T242-R292 VanDerWaalsContact O-CA 3.3Å; T242-R292 WeakPolarHBondContact O-CA 3.38Å; N243-R292 HydrophobicContact CB-CB 4.5Å; N243-R292 HydrophobicContact CB-CG 4.27Å; I271-R292 CarbonylContact C-O 3.55Å; Q272-R292 PolarHBondContact N-O 3.4Å; Q272-R292 VanDerWaalsContact OE1-CD 3.29Å; S273-R292 PolarHBondContact N-O 2.9Å; S273-R292 VanDerWaalsContact N-O 3.17Å; S273-R292 PolarHBondContact O-N 3.09Å |
| 293 | F | 95.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 159.1 | 171.7 | -71.2 | -90.9 | 0 | 0 | 0 | 111.5 | T242 L244 F265 F268 H270 I271 V291 N295 D298 A299 A302 | T242-F293 PolarHBondContact O-N 3.25Å; L244-F293 HydrophobicContact CD1-CD2 4.44Å; L244-F293 HydrophobicContact CD1-CE2 3.83Å; L244-F293 HydrophobicContact CG-CD2 4.47Å; L244-F293 HydrophobicContact CG-CE2 4.28Å; F265-F293 HydrophobicContact CB-CZ 4.21Å; F265-F293 HydrophobicContact CD1-CE2 4.32Å; F265-F293 HydrophobicContact CD1-CZ 4.17Å; F268-F293 HydrophobicContact CB-CE1 4.4Å; F268-F293 HydrophobicContact CB-CZ 4.37Å; H270-F293 CarbonylContact O-C 3.53Å; H270-F293 VanDerWaalsContact O-CA 3.32Å; H270-F293 WeakPolarHBondContact O-CA 3.4Å; I271-F293 HydrophobicContact CG1-CD1 4.17Å; I271-F293 HydrophobicContact CG1-CE1 3.93Å; I271-F293 HydrophobicContact CG1-CZ 4.34Å; V291-F293 HydrophobicContact CG1-CD2 4.28Å; V291-F293 HydrophobicContact CG1-CE2 3.76Å; V291-F293 HydrophobicContact CG1-CZ 4.14Å; F293-N295 WeakPolarHBondContact CB-O 3.16Å; F293-D298 HydrophobicContact CB-CB 4.1Å; F293-D298 HydrophobicContact CD1-CB 3.55Å; F293-D298 HydrophobicContact CE1-CB 4.24Å; F293-D298 HydrophobicContact CG-CB 3.99Å; F293-A299 HydrophobicContact CB-CB 4.22Å; F293-A299 HydrophobicContact CD2-CB 3.75Å; F293-A299 HydrophobicContact CG-CB 4.2Å; F293-A302 HydrophobicContact CE2-CB 4.01Å; F293-A302 HydrophobicContact CZ-CB 3.8Å |
| 294 | V | 94.1 | Very high | 90.6 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -70.5 | -40.2 | 170.3 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | H270 Q272 | H270-V294 HydrophobicContact CB-CB 4.3Å; H270-V294 HydrophobicContact CB-CG2 4.03Å; H270-V294 PolarHBondContact O-N 3.31Å; Q272-V294 HydrophobicContact CB-CG2 4.09Å |
| 295 | N | 93.3 | Very high | 91.4 | Very high | 71 Ų | 71 | 42.7 Ų | 42.7 | 38% | 0.38 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -108 | 150.3 | -176.1 | -52.6 | -56.5 | 0 | 0 | 0 | 112.3 | F293 D298 | F293-N295 WeakPolarHBondContact CB-O 3.16Å; N295-D298 HydrophobicContact CB-CB 4.21Å; N295-D298 PolarHBondContact ND2-OD1 2.83Å; N295-D298 PolarHBondContact ND2-OD2 3.23Å |
| 296 | E | 93.8 | Very high | 92.1 | Very high | 91 Ų | 91 | 42.4 Ų | 42.4 | 43% | 0.425 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 170.6 | 176.9 | 173.6 | 149.9 | 0 | 0 | 111.2 | K241 T242 D298 A299 V300 | K241-E296 HydrophobicContact CB-CG 3.93Å; K241-E296 HydrophobicContact CD-CG 4.02Å; K241-E296 WeakPolarHBondContact CD-OE1 3.21Å; K241-E296 WeakPolarHBondContact CD-OE2 3.41Å; K241-E296 WeakPolarHBondContact CE-OE1 3.38Å; K241-E296 IonicContact NZ-OE1 2.66Å; K241-E296 PolarHBondContact NZ-OE1 3.44Å; K241-E296 IonicContact NZ-OE2 3.04Å; K241-E296 PolarHBondContact NZ-OE2 3.19Å; T242-E296 HydrophobicContact CG2-CB 4.36Å; E296-D298 PolarHBondContact O-N 2.89Å; E296-A299 PolarHBondContact O-N 3.38Å; E296-V300 WeakPolarHBondContact O-CG2 3.27Å; E296-V300 PolarHBondContact O-N 3Å; E296-V300 VanDerWaalsContact O-N 3.08Å |
| 297 | Q | 94 | Very high | 92.3 | Very high | 111 Ų | 111 | 47.3 Ų | 47.3 | 52% | 0.519 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.8 | -40.4 | -177.8 | -168.1 | 62.3 | 51.5 | 0 | 0 | 112.3 | A299 V300 N301 | Q297-A299 VanDerWaalsContact C-N 3.29Å; Q297-A299 PolarHBondContact O-N 3.24Å; Q297-V300 PolarHBondContact O-N 3.3Å; Q297-N301 PolarHBondContact NE2-OD1 3.02Å; Q297-N301 WeakPolarHBondContact O-CB 3.47Å; Q297-N301 PolarHBondContact O-N 3.03Å; Q297-N301 PolarHBondContact O-ND2 3.35Å; Q297-N301 PolarHBondContact O-OD1 2.9Å |
| 298 | D | 94.5 | Very high | 92.3 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 177.4 | -61.4 | 9.2 | 0 | 0 | 0 | 111.4 | G269 H270 F293 N295 E296 N301 A302 | G269-D298 WeakPolarHBondContact CA-OD2 3.49Å; H270-D298 PolarHBondContact N-OD2 2.91Å; F293-D298 HydrophobicContact CB-CB 4.1Å; F293-D298 HydrophobicContact CD1-CB 3.55Å; F293-D298 HydrophobicContact CE1-CB 4.24Å; F293-D298 HydrophobicContact CG-CB 3.99Å; N295-D298 HydrophobicContact CB-CB 4.21Å; N295-D298 PolarHBondContact ND2-OD1 2.83Å; N295-D298 PolarHBondContact ND2-OD2 3.23Å; E296-D298 PolarHBondContact O-N 2.89Å; D298-N301 PolarHBondContact O-N 3.11Å; D298-A302 WeakPolarHBondContact O-CB 3.18Å; D298-A302 PolarHBondContact O-N 3.37Å |
| 299 | A | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.7 | -36.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | K241 L244 F293 E296 Q297 L303 F324 | K241-A299 WeakPolarHBondContact O-CB 3.43Å; L244-A299 HydrophobicContact CD2-CB 4.18Å; L244-A299 HydrophobicContact CG-CB 4.32Å; F293-A299 HydrophobicContact CB-CB 4.22Å; F293-A299 HydrophobicContact CD2-CB 3.75Å; F293-A299 HydrophobicContact CG-CB 4.2Å; E296-A299 PolarHBondContact O-N 3.38Å; Q297-A299 VanDerWaalsContact C-N 3.29Å; Q297-A299 PolarHBondContact O-N 3.24Å; A299-L303 WeakPolarHBondContact O-CB 3.43Å; A299-L303 PolarHBondContact O-N 2.81Å; A299-L303 VanDerWaalsContact O-N 3.09Å; A299-F324 HydrophobicContact CB-CE1 4.06Å |
| 300 | V | 93.5 | Very high | 91.4 | Very high | 48 Ų | 48 | 62.5 Ų | 62.5 | 29% | 0.291 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.1 | -49 | 171 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | E296 Q297 A302 L303 E304 F324 | E296-V300 WeakPolarHBondContact O-CG2 3.27Å; E296-V300 PolarHBondContact O-N 3Å; E296-V300 VanDerWaalsContact O-N 3.08Å; Q297-V300 PolarHBondContact O-N 3.3Å; V300-A302 VanDerWaalsContact C-N 3.33Å; V300-A302 PolarHBondContact O-N 2.69Å; V300-L303 PolarHBondContact O-N 2.65Å; V300-L303 VanDerWaalsContact O-N 3.15Å; V300-E304 PolarHBondContact O-N 3.07Å; V300-F324 HydrophobicContact CG2-CZ 3.88Å |
| 301 | N | 92.9 | Very high | 90.7 | Very high | 61 Ų | 61 | 61.6 Ų | 61.6 | 33% | 0.326 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 179.6 | -66.3 | -7.1 | 0 | 0 | 0 | 111.5 | Q297 D298 S305 | Q297-N301 PolarHBondContact NE2-OD1 3.02Å; Q297-N301 WeakPolarHBondContact O-CB 3.47Å; Q297-N301 PolarHBondContact O-N 3.03Å; Q297-N301 PolarHBondContact O-ND2 3.35Å; Q297-N301 PolarHBondContact O-OD1 2.9Å; D298-N301 PolarHBondContact O-N 3.11Å; N301-S305 WeakPolarHBondContact O-CB 3.46Å; N301-S305 PolarHBondContact O-N 3.03Å; N301-S305 PolarHBondContact O-OG 3.3Å |
| 302 | A | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L244 F268 F293 D298 V300 S305 L306 | L244-A302 HydrophobicContact CD1-CB 3.97Å; F268-A302 HydrophobicContact CB-CB 3.61Å; F268-A302 HydrophobicContact CD2-CB 3.84Å; F268-A302 HydrophobicContact CG-CB 3.81Å; F293-A302 HydrophobicContact CE2-CB 4.01Å; F293-A302 HydrophobicContact CZ-CB 3.8Å; D298-A302 WeakPolarHBondContact O-CB 3.18Å; D298-A302 PolarHBondContact O-N 3.37Å; V300-A302 VanDerWaalsContact C-N 3.33Å; V300-A302 PolarHBondContact O-N 2.69Å; A302-S305 PolarHBondContact O-N 2.76Å; A302-L306 WeakPolarHBondContact O-CB 3.49Å; A302-L306 WeakPolarHBondContact O-CG 3.2Å; A302-L306 PolarHBondContact O-N 2.91Å |
| 303 | L | 92.3 | Very high | 89.5 | Confident | 18 Ų | 18 | 62.3 Ų | 62.3 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.8 | -36 | 179 | 177.7 | 62 | 0 | 0 | 0 | 113 | A299 V300 K307 A322 F324 | A299-L303 WeakPolarHBondContact O-CB 3.43Å; A299-L303 PolarHBondContact O-N 2.81Å; A299-L303 VanDerWaalsContact O-N 3.09Å; V300-L303 PolarHBondContact O-N 2.65Å; V300-L303 VanDerWaalsContact O-N 3.15Å; L303-K307 WeakPolarHBondContact O-CD 3.45Å; L303-K307 VanDerWaalsContact O-CG 3.29Å; L303-K307 WeakPolarHBondContact O-CG 3.35Å; L303-A322 WeakPolarHBondContact CD1-O 3.4Å; L303-F324 HydrophobicContact CD2-CD2 3.79Å; L303-F324 HydrophobicContact CD2-CE2 3.34Å; L303-F324 HydrophobicContact CD2-CZ 3.75Å |
| 304 | E | 91.5 | Very high | 88.4 | Confident | 112 Ų | 112 | 68.4 Ų | 68.4 | 52% | 0.523 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -73.7 | -45.3 | 174.1 | -175.8 | 164.6 | -151.6 | 0 | 0 | 111.4 | V300 L306 K307 L308 | V300-E304 PolarHBondContact O-N 3.07Å; E304-L306 VanDerWaalsContact C-N 3.32Å; E304-L306 PolarHBondContact O-N 2.82Å; E304-K307 PolarHBondContact O-N 3.36Å; E304-K307 VanDerWaalsContact O-N 3.07Å; E304-L308 HydrophobicContact CG-CD1 3.97Å; E304-L308 HydrophobicContact CG-CG 4.49Å; E304-L308 WeakPolarHBondContact O-CG 3.48Å; E304-L308 PolarHBondContact O-N 3.31Å |
| 305 | S | 90.4 | Very high | 87.3 | Confident | 41 Ų | 41 | 69.1 Ų | 69.1 | 29% | 0.287 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 178.4 | -62 | 0 | 0 | 0 | 0 | 112.6 | F268 N301 A302 K307 L308 H309 | F268-S305 VanDerWaalsContact CE1-CB 3.4Å; N301-S305 WeakPolarHBondContact O-CB 3.46Å; N301-S305 PolarHBondContact O-N 3.03Å; N301-S305 PolarHBondContact O-OG 3.3Å; A302-S305 PolarHBondContact O-N 2.76Å; S305-K307 VanDerWaalsContact C-N 3.31Å; S305-K307 PolarHBondContact O-N 3.14Å; S305-L308 PolarHBondContact O-N 2.68Å; S305-H309 WeakPolarHBondContact O-CA 3.19Å; S305-H309 WeakPolarHBondContact O-CB 3.4Å; S305-H309 PolarHBondContact O-N 2.91Å |
| 306 | L | 88.8 | Confident | 86.2 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 6% | 0.063 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.7 | -23.9 | 177.9 | -73.8 | 168.5 | 0 | 0 | 0 | 113.9 | F265 F268 A302 E304 L311 A322 | F265-L306 HydrophobicContact CE1-CD1 3.57Å; F265-L306 HydrophobicContact CZ-CD1 3.75Å; F268-L306 HydrophobicContact CE2-CD2 4.33Å; F268-L306 HydrophobicContact CE2-CG 4.29Å; F268-L306 HydrophobicContact CZ-CD2 4.23Å; F268-L306 HydrophobicContact CZ-CG 4.28Å; A302-L306 WeakPolarHBondContact O-CB 3.49Å; A302-L306 WeakPolarHBondContact O-CG 3.2Å; A302-L306 PolarHBondContact O-N 2.91Å; E304-L306 VanDerWaalsContact C-N 3.32Å; E304-L306 PolarHBondContact O-N 2.82Å; L306-L311 HydrophobicContact CD2-CB 3.64Å; L306-A322 HydrophobicContact CD1-CB 3.62Å |
| 307 | K | 86.2 | Confident | 85.3 | Confident | 151 Ų | 151 | 68.1 Ų | 68.1 | 66% | 0.657 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -79.6 | -37.2 | 173.7 | -69.6 | 166.9 | -174.1 | 172.9 | 0 | 112.1 | L303 E304 S305 | L303-K307 WeakPolarHBondContact O-CD 3.45Å; L303-K307 VanDerWaalsContact O-CG 3.29Å; L303-K307 WeakPolarHBondContact O-CG 3.35Å; E304-K307 PolarHBondContact O-N 3.36Å; E304-K307 VanDerWaalsContact O-N 3.07Å; S305-K307 VanDerWaalsContact C-N 3.31Å; S305-K307 PolarHBondContact O-N 3.14Å |
| 308 | L | 84.7 | Confident | 84.8 | Confident | 118 Ų | 118 | 66 Ų | 66 | 62% | 0.618 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -78 | -38.2 | 178.7 | -65.3 | 174.2 | 0 | 0 | 0 | 112 | E304 S305 | E304-L308 HydrophobicContact CG-CD1 3.97Å; E304-L308 HydrophobicContact CG-CG 4.49Å; E304-L308 WeakPolarHBondContact O-CG 3.48Å; E304-L308 PolarHBondContact O-N 3.31Å; S305-L308 PolarHBondContact O-N 2.68Å |
| 309 | H | 83.1 | Confident | 84.5 | Confident | 148 Ų | 148 | 67.2 Ų | 67.2 | 69% | 0.685 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -125.3 | 86.7 | -179.1 | -62.4 | 92.9 | 0 | 0 | 0 | 109.2 | S305 L311 | S305-H309 WeakPolarHBondContact O-CA 3.19Å; S305-H309 WeakPolarHBondContact O-CB 3.4Å; S305-H309 PolarHBondContact O-N 2.91Å; H309-L311 PolarHBondContact O-N 3.13Å |
| 310 | P | 81.1 | Confident | 84.3 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | trans | -62.1 | 110 | -177.5 | 23.7 | -33.5 | 0 | 0 | 0 | 110.9 | T312 P319 | P310-T312 PolarHBondContact O-N 3.48Å; P310-P319 HydrophobicContact CB-CB 3.64Å; P310-P319 HydrophobicContact CB-CG 4.08Å | ||
| 311 | L | 80.6 | Confident | 84.2 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 16% | 0.157 | 39% | 0.386 | C | S | . | . | trans | -80.3 | 98.3 | -176.6 | -175.5 | 114.1 | 0 | 0 | 0 | 110.4 | V264 L306 H309 L313 V320 | V264-L311 HydrophobicContact CG1-CD2 3.51Å; L306-L311 HydrophobicContact CD2-CB 3.64Å; H309-L311 PolarHBondContact O-N 3.13Å; L311-L313 HydrophobicContact CD2-CD2 4Å; L311-L313 HydrophobicContact CD2-CG 4.07Å; L311-V320 HydrophobicContact CD2-CB 4.35Å; L311-V320 HydrophobicContact CD2-CG2 4.17Å; L311-V320 WeakPolarHBondContact O-CB 3.42Å; L311-V320 WeakPolarHBondContact O-CG2 2.96Å; L311-V320 PolarHBondContact O-N 2.79Å | ||
| 312 | T | 82 | Confident | 84.1 | Confident | 91 Ų | 91 | 67 Ų | 67 | 56% | 0.558 | 37% | 0.374 | S | S | * | . | trans | -77.6 | 126.8 | 164.5 | 44.1 | 0 | 0 | 0 | 0 | 110.1 | P310 P319 | P310-T312 PolarHBondContact O-N 3.48Å; T312-P319 HydrophobicContact CG2-CB 4.09Å | ||
| 313 | L | 81.7 | Confident | 84.1 | Confident | 18 Ų | 18 | 72.3 Ų | 72.3 | 9% | 0.094 | 40% | 0.397 | C | S | . | . | trans | -84.9 | 150.8 | 166.7 | -70.6 | 170.1 | 0 | 0 | 0 | 108.8 | L249 P250 W253 V264 L311 D315 C316 V320 | L249-L313 HydrophobicContact CD2-CD1 4.17Å; P250-L313 HydrophobicContact CG-CB 4.07Å; P250-L313 HydrophobicContact CG-CD1 3.95Å; W253-L313 HydrophobicContact CH2-CD1 3.63Å; W253-L313 HydrophobicContact CH2-CD2 4.34Å; W253-L313 HydrophobicContact CZ2-CD1 4Å; W253-L313 HydrophobicContact CZ2-CD2 4.42Å; W253-L313 HydrophobicContact CZ3-CD1 4Å; V264-L313 HydrophobicContact CG2-CD2 4.01Å; L311-L313 HydrophobicContact CD2-CD2 4Å; L311-L313 HydrophobicContact CD2-CG 4.07Å; L313-D315 PolarHBondContact O-N 2.96Å; L313-D315 VanDerWaalsContact O-N 3.08Å; L313-C316 HydrophobicContact CB-CB 4.4Å; L313-C316 PolarHBondContact O-N 3.36Å; L313-V320 HydrophobicContact CD1-CG2 3.6Å; L313-V320 HydrophobicContact CG-CG2 3.86Å | ||
| 314 | P | 71.5 | Confident | 84.1 | Confident | 129 Ų | 129 | 74.1 Ų | 74.1 | 84% | 0.838 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.1 | -171.1 | 22.7 | -34.2 | 0 | 0 | 0 | 114.2 | ||
| 315 | D | 71.2 | Confident | 84 | Confident | 97 Ų | 97 | 69 Ų | 69 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 0.9 | 178.6 | -66.5 | 1.7 | 0 | 0 | 0 | 113.4 | P250 T252 L313 | P250-D315 HydrophobicContact CB-CB 3.76Å; P250-D315 HydrophobicContact CG-CB 4.01Å; T252-D315 WeakPolarHBondContact CB-OD2 3.5Å; T252-D315 WeakPolarHBondContact CG2-OD2 3.4Å; T252-D315 PolarHBondContact OG1-OD2 2.84Å; L313-D315 PolarHBondContact O-N 2.96Å; L313-D315 VanDerWaalsContact O-N 3.08Å |
| 316 | C | 68.9 | Low | 83.8 | Confident | 18 Ų | 18 | 70.7 Ų | 70.7 | 12% | 0.122 | 39% | 0.387 | C | S | . | . | trans | -114.3 | 123.2 | -175 | -72.7 | 0 | 0 | 0 | 0 | 112.5 | N248 P250 L313 V318 | N248-C316 PolarHBondContact O-SG 2.84Å; N248-C316 VanDerWaalsContact O-SG 3.35Å; P250-C316 VanDerWaalsContact CD-SG 3.6Å; P250-C316 VanDerWaalsContact N-SG 3.4Å; L313-C316 HydrophobicContact CB-CB 4.4Å; L313-C316 PolarHBondContact O-N 3.36Å; C316-V318 VanDerWaalsContact C-N 3.26Å; C316-V318 WeakPolarHBondContact CB-O 3.39Å; C316-V318 PolarHBondContact O-N 2.59Å | ||
| 317 | S | 74.7 | Confident | 83.4 | Confident | 123 Ų | 123 | 74.2 Ų | 74.2 | 86% | 0.86 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -76.4 | -9.3 | 173.4 | 54.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 318 | V | 85 | Confident | 82.4 | Confident | 68 Ų | 68 | 72.1 Ų | 72.1 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -126.7 | 148.5 | -179.3 | 174.1 | 0 | 0 | 0 | 0 | 106.8 | N248 C316 | N248-V318 VanDerWaalsContact ND2-CB 3.29Å; N248-V318 WeakPolarHBondContact ND2-CB 3.49Å; N248-V318 WeakPolarHBondContact ND2-CG1 3.43Å; N248-V318 PolarHBondContact ND2-O 2.98Å; C316-V318 VanDerWaalsContact C-N 3.26Å; C316-V318 WeakPolarHBondContact CB-O 3.39Å; C316-V318 PolarHBondContact O-N 2.59Å |
| 319 | P | 88.2 | Confident | 81.1 | Confident | 49 Ų | 49 | 70.4 Ų | 70.4 | 32% | 0.318 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 155 | 177 | 28 | -36.5 | 0 | 0 | 0 | 113.3 | N248 P310 T312 E321 | N248-P319 PolarHBondContact ND2-O 2.74Å; P310-P319 HydrophobicContact CB-CB 3.64Å; P310-P319 HydrophobicContact CB-CG 4.08Å; T312-P319 HydrophobicContact CG2-CB 4.09Å; P319-E321 PolarHBondContact O-N 2.9Å |
| 320 | V | 89.7 | Confident | 79.7 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.024 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 126 | 174.1 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | V246 L249 F265 L311 L313 | V246-V320 HydrophobicContact CG1-CG1 3.42Å; V246-V320 VanDerWaalsContact CG1-CG1 3.42Å; L249-V320 HydrophobicContact CD2-CG1 4.02Å; L249-V320 HydrophobicContact CD2-CG2 4.19Å; F265-V320 HydrophobicContact CE2-CG1 4.46Å; F265-V320 HydrophobicContact CZ-CG1 4.31Å; L311-V320 HydrophobicContact CD2-CB 4.35Å; L311-V320 HydrophobicContact CD2-CG2 4.17Å; L311-V320 WeakPolarHBondContact O-CB 3.42Å; L311-V320 WeakPolarHBondContact O-CG2 2.96Å; L311-V320 PolarHBondContact O-N 2.79Å; L313-V320 HydrophobicContact CD1-CG2 3.6Å; L313-V320 HydrophobicContact CG-CG2 3.86Å |
| 321 | E | 90.5 | Very high | 78.3 | Confident | 92 Ų | 92 | 67.8 Ų | 67.8 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 145.9 | 172.9 | -82.3 | -171.9 | -145.5 | 0 | 0 | 110.8 | V246 T247 P319 K323 | V246-E321 CarbonylContact C-O 3.52Å; V246-E321 WeakPolarHBondContact CA-O 3.43Å; T247-E321 PolarHBondContact N-O 2.81Å; T247-E321 PolarHBondContact O-N 2.83Å; T247-E321 VanDerWaalsContact O-N 3.08Å; T247-E321 WeakPolarHBondContact OG1-CB 3.47Å; P319-E321 PolarHBondContact O-N 2.9Å; E321-K323 WeakPolarHBondContact OE2-CE 3.26Å; E321-K323 IonicContact OE2-NZ 2.73Å; E321-K323 PolarHBondContact OE2-NZ 3.08Å |
| 322 | A | 91.7 | Very high | 77.1 | Confident | 9 Ų | 9 | 69.7 Ų | 69.7 | 7% | 0.074 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 146.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L244 Y245 V246 F265 L303 L306 | L244-A322 HydrophobicContact CB-CB 4.5Å; L244-A322 HydrophobicContact CD1-CB 4.17Å; Y245-A322 CarbonylContact O-C 3.55Å; Y245-A322 WeakPolarHBondContact O-CA 3.35Å; V246-A322 HydrophobicContact CG2-CB 4.36Å; F265-A322 HydrophobicContact CE1-CB 4.33Å; L303-A322 WeakPolarHBondContact CD1-O 3.4Å; L306-A322 HydrophobicContact CD1-CB 3.62Å |
| 323 | K | 91.3 | Very high | 75.4 | Confident | 110 Ų | 110 | 72.9 Ų | 72.9 | 48% | 0.478 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 150.1 | 178.4 | -65.5 | 169 | -173.4 | 150.6 | 0 | 108 | L244 Y245 E321 A325 | L244-K323 CarbonylContact C-O 3.58Å; L244-K323 WeakPolarHBondContact CA-O 3.45Å; Y245-K323 PolarHBondContact N-O 3.45Å; Y245-K323 PolarHBondContact O-N 3.08Å; E321-K323 WeakPolarHBondContact OE2-CE 3.26Å; E321-K323 IonicContact OE2-NZ 2.73Å; E321-K323 PolarHBondContact OE2-NZ 3.08Å; K323-A325 PolarHBondContact O-N 2.87Å |
| 324 | F | 92.8 | Very high | 73.8 | Confident | 57 Ų | 57 | 81.9 Ų | 81.9 | 25% | 0.25 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 129.4 | 173.2 | -67.7 | -65.5 | 0 | 0 | 0 | 110.3 | K239 K241 L244 A299 V300 L303 | K239-F324 HydrophobicContact CB-CB 4.11Å; K239-F324 HydrophobicContact CD-CB 4.36Å; K241-F324 WeakPolarHBondContact O-CE1 3.36Å; L244-F324 HydrophobicContact CD2-CD1 3.52Å; L244-F324 HydrophobicContact CD2-CE1 3.68Å; L244-F324 HydrophobicContact CD2-CG 4.32Å; A299-F324 HydrophobicContact CB-CE1 4.06Å; V300-F324 HydrophobicContact CG2-CZ 3.88Å; L303-F324 HydrophobicContact CD2-CD2 3.79Å; L303-F324 HydrophobicContact CD2-CE2 3.34Å; L303-F324 HydrophobicContact CD2-CZ 3.75Å |
| 325 | A | 89.3 | Confident | 72.7 | Confident | 3 Ų | 3 | 85.9 Ų | 85.9 | 3% | 0.025 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 152 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K239 D240 N243 F290 K323 | K239-A325 CarbonylContact C-O 3.57Å; K239-A325 WeakPolarHBondContact CA-O 3.31Å; D240-A325 PolarHBondContact N-O 3.48Å; N243-A325 HydrophobicContact CB-CB 4.18Å; N243-A325 WeakPolarHBondContact O-CB 3.4Å; N243-A325 PolarHBondContact O-N 3.18Å; F290-A325 HydrophobicContact CD1-CB 4.03Å; F290-A325 HydrophobicContact CE1-CB 3.97Å; K323-A325 PolarHBondContact O-N 2.87Å |
| 326 | D | 86 | Confident | 71.6 | Confident | 78 Ų | 78 | 88.7 Ų | 88.7 | 42% | 0.417 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 143.6 | 170.1 | -69.5 | -7.4 | 0 | 0 | 0 | 110.6 | N237 H328 | N237-D326 HydrophobicContact CB-CB 3.86Å; N237-D326 VanDerWaalsContact CB-CG 3.45Å; N237-D326 WeakPolarHBondContact CB-OD2 3.47Å; N237-D326 PolarHBondContact ND2-OD2 2.78Å; D326-H328 PolarHBondContact O-N 2.91Å |
| 327 | K | 81.3 | Confident | 69.8 | Low | 86 Ų | 86 | 96 Ų | 96 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -57 | 128.1 | 170.5 | -79.8 | -177.8 | -170.6 | -67 | 0 | 109.5 | E238 D240 N329 | E238-K327 HydrophobicContact CB-CD 3.69Å; E238-K327 HydrophobicContact CB-CG 4.28Å; E238-K327 VanDerWaalsContact O-CB 3.25Å; E238-K327 WeakPolarHBondContact O-CB 3.36Å; E238-K327 VanDerWaalsContact O-CG 3.3Å; E238-K327 WeakPolarHBondContact O-CG 3.36Å; E238-K327 PolarHBondContact O-N 3.08Å; E238-K327 WeakPolarHBondContact OE2-CD 3.31Å; E238-K327 WeakPolarHBondContact OE2-CE 3.32Å; D240-K327 HydrophobicContact CB-CG 4.24Å; D240-K327 VanDerWaalsContact CG-CG 3.5Å; D240-K327 WeakPolarHBondContact OD1-CG 3.5Å; D240-K327 IonicContact OD1-NZ 3.49Å; D240-K327 PolarHBondContact OD1-NZ 2.69Å; K327-N329 VanDerWaalsContact C-N 3.27Å; K327-N329 PolarHBondContact O-N 3.11Å |
| 328 | H | 64.8 | Low | 68.2 | Low | 106 Ų | 106 | 94.9 Ų | 94.9 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | trans | -70.8 | 85.3 | 174.4 | -175.2 | 68.5 | 0 | 0 | 0 | 110.5 | D326 P330 T332 R333 | D326-H328 PolarHBondContact O-N 2.91Å; H328-P330 WeakPolarHBondContact O-CD 3.31Å; H328-P330 VanDerWaalsContact O-N 3.14Å; H328-T332 PolarHBondContact CE1-OG1 3.48Å; H328-R333 PolarHBondContact NE2-NE 2.88Å | ||
| 329 | N | 57.8 | Low | 66 | Low | 82 Ų | 82 | 96.8 Ų | 96.8 | 44% | 0.439 | 45% | 0.454 | S | S | . | . | trans | -58.2 | 116.3 | 169.9 | 175.9 | -6.4 | 0 | 0 | 0 | 108.4 | K327 D331 T332 | K327-N329 VanDerWaalsContact C-N 3.27Å; K327-N329 PolarHBondContact O-N 3.11Å; N329-D331 PolarHBondContact O-N 3.23Å; N329-D331 VanDerWaalsContact O-N 3.11Å; N329-D331 WeakPolarHBondContact OD1-CB 3.33Å; N329-D331 PolarHBondContact OD1-N 3.45Å; N329-T332 HydrophobicContact CB-CG2 4.22Å; N329-T332 WeakPolarHBondContact O-CB 3.27Å; N329-T332 WeakPolarHBondContact O-CG2 3.35Å; N329-T332 PolarHBondContact O-N 3.38Å; N329-T332 PolarHBondContact O-OG1 2.97Å | ||
| 330 | P | 53.7 | Low | 63.7 | Low | 96 Ų | 96 | 99.3 Ų | 99.3 | 62% | 0.623 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.1 | -174.1 | 25.1 | -34.9 | 0 | 0 | 0 | 113.1 | H328 T332 R333 | H328-P330 WeakPolarHBondContact O-CD 3.31Å; H328-P330 VanDerWaalsContact O-N 3.14Å; P330-T332 PolarHBondContact O-N 2.81Å; P330-R333 PolarHBondContact O-N 3.19Å |
| 331 | D | 52.7 | Low | 61.5 | Low | 77 Ų | 77 | 102 Ų | 102 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.2 | -18.2 | 179 | -155.3 | 40.2 | 0 | 0 | 0 | 112.8 | N329 R333 R334 R335 | N329-D331 PolarHBondContact O-N 3.23Å; N329-D331 VanDerWaalsContact O-N 3.11Å; N329-D331 WeakPolarHBondContact OD1-CB 3.33Å; N329-D331 PolarHBondContact OD1-N 3.45Å; D331-R333 PolarHBondContact O-N 3.43Å; D331-R334 WeakPolarHBondContact O-CB 3.39Å; D331-R334 PolarHBondContact O-N 3.39Å; D331-R334 WeakPolarHBondContact OD1-CD 3.3Å; D331-R335 PolarHBondContact O-N 2.9Å |
| 332 | T | 53.8 | Low | 59.4 | Low | 71 Ų | 71 | 102.4 Ų | 102.4 | 44% | 0.436 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.7 | -32 | 171.9 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | H328 N329 P330 R335 | H328-T332 PolarHBondContact CE1-OG1 3.48Å; N329-T332 HydrophobicContact CB-CG2 4.22Å; N329-T332 WeakPolarHBondContact O-CB 3.27Å; N329-T332 WeakPolarHBondContact O-CG2 3.35Å; N329-T332 PolarHBondContact O-N 3.38Å; N329-T332 PolarHBondContact O-OG1 2.97Å; P330-T332 PolarHBondContact O-N 2.81Å; T332-R335 PolarHBondContact O-N 2.89Å |
| 333 | R | 47.6 | Very low | 57.2 | Low | 157 Ų | 157 | 106.4 Ų | 106.4 | 59% | 0.592 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.1 | -38.7 | 174.2 | -59.6 | -168.5 | -168.7 | -162.1 | 2.9 | 111.5 | H328 P330 D331 R335 R336 Y337 | H328-R333 PolarHBondContact NE2-NE 2.88Å; P330-R333 PolarHBondContact O-N 3.19Å; D331-R333 PolarHBondContact O-N 3.43Å; R333-R335 PolarHBondContact O-N 3.47Å; R333-R336 PolarHBondContact O-N 3.24Å; R333-Y337 HydrophobicContact CB-CE2 4.41Å; R333-Y337 VanDerWaalsContact O-CD2 3.24Å; R333-Y337 WeakPolarHBondContact O-CD2 3.25Å; R333-Y337 PolarHBondContact O-N 2.89Å |
| 334 | R | 47.3 | Very low | 55 | Low | 207 Ų | 207 | 104 Ų | 104 | 78% | 0.781 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.5 | -24.4 | 178.3 | -67.9 | -172.5 | 169.2 | -159.6 | -1.6 | 113.1 | D331 | D331-R334 WeakPolarHBondContact O-CB 3.39Å; D331-R334 PolarHBondContact O-N 3.39Å; D331-R334 WeakPolarHBondContact OD1-CD 3.3Å |
| 335 | R | 48 | Very low | 52.7 | Low | 214 Ų | 214 | 104.2 Ų | 104.2 | 81% | 0.808 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -9.1 | 172.8 | -67.4 | -69.6 | -174.9 | 156.4 | 1.5 | 114.6 | D331 T332 R333 | D331-R335 PolarHBondContact O-N 2.9Å; T332-R335 PolarHBondContact O-N 2.89Å; R333-R335 PolarHBondContact O-N 3.47Å |
| 336 | R | 47.9 | Very low | 50.6 | Low | 155 Ų | 155 | 106.9 Ų | 106.9 | 59% | 0.585 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 4.3 | -175.8 | -129.6 | 175.9 | 179.9 | 166.7 | -0.5 | 114.8 | R333 | R333-R336 PolarHBondContact O-N 3.24Š|
| 337 | Y | 32.3 | Very low | 48.6 | Very low | 172 Ų | 172 | 106.2 Ų | 106.2 | 68% | 0.675 | 56% | 0.564 | S | S | * | * | trans | -103.7 | 109.6 | 159.1 | -66.5 | -73.1 | 0 | 0 | 0 | 109.1 | R333 | R333-Y337 HydrophobicContact CB-CE2 4.41Å; R333-Y337 VanDerWaalsContact O-CD2 3.24Å; R333-Y337 WeakPolarHBondContact O-CD2 3.25Å; R333-Y337 PolarHBondContact O-N 2.89Å | ||
| 338 | P | 41.5 | Very low | 47 | Very low | 99 Ų | 99 | 105.2 Ų | 105.2 | 64% | 0.643 | 57% | 0.571 | S | S | * | * | trans | -60 | 139.4 | 155.1 | 29 | -33.4 | 0 | 0 | 0 | 107.9 | T340 | P338-T340 HydrophobicContact CB-CG2 4.39Å; P338-T340 HydrophobicContact CG-CG2 4.3Å; P338-T340 PolarHBondContact O-N 2.88Å | ||
| 339 | V | 38.4 | Very low | 46.1 | Very low | 108 Ų | 108 | 102.7 Ų | 102.7 | 66% | 0.655 | 57% | 0.569 | S | S | * | * | trans | -78.7 | 72.3 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | A341 T342 | V339-A341 HydrophobicContact CG1-CB 3.96Å; V339-A341 PolarHBondContact O-N 3.38Å; V339-T342 PolarHBondContact O-N 2.84Å; V339-T342 PolarHBondContact O-OG1 2.81Å | ||
| 340 | T | 40 | Very low | 45.5 | Very low | 103 Ų | 103 | 101.7 Ų | 101.7 | 63% | 0.632 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 30 | 170.5 | 42.6 | 0 | 0 | 0 | 0 | 112.8 | P338 | P338-T340 HydrophobicContact CB-CG2 4.39Å; P338-T340 HydrophobicContact CG-CG2 4.3Å; P338-T340 PolarHBondContact O-N 2.88Å |
| 341 | A | 42.7 | Very low | 44.9 | Very low | 59 Ų | 59 | 101.1 Ų | 101.1 | 49% | 0.488 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.6 | -19 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V339 T343 A344 A345 | V339-A341 HydrophobicContact CG1-CB 3.96Å; V339-A341 PolarHBondContact O-N 3.38Å; A341-T343 VanDerWaalsContact C-N 3.35Å; A341-A344 PolarHBondContact O-N 3.42Å; A341-A345 PolarHBondContact O-N 2.87Å |
| 342 | T | 46.5 | Very low | 44.6 | Very low | 102 Ų | 102 | 100.9 Ų | 100.9 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.3 | -28.7 | 177 | 45 | 0 | 0 | 0 | 0 | 113 | V339 A346 | V339-T342 PolarHBondContact O-N 2.84Å; V339-T342 PolarHBondContact O-OG1 2.81Å; T342-A346 WeakPolarHBondContact O-CB 3.42Å; T342-A346 PolarHBondContact O-N 3.5Å |
| 343 | T | 45.5 | Very low | 44.1 | Very low | 93 Ų | 93 | 101.1 Ų | 101.1 | 57% | 0.571 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -80.8 | -26.9 | 169.6 | 44.7 | 0 | 0 | 0 | 0 | 113.1 | A341 A346 A347 | A341-T343 VanDerWaalsContact C-N 3.35Å; T343-A346 PolarHBondContact O-N 3.05Å; T343-A347 WeakPolarHBondContact O-CB 3.37Å; T343-A347 PolarHBondContact O-N 2.79Å |
| 344 | A | 44.4 | Very low | 43.4 | Very low | 59 Ų | 59 | 97.6 Ų | 97.6 | 49% | 0.488 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.1 | -40.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A341 A347 A348 | A341-A344 PolarHBondContact O-N 3.42Å; A344-A347 PolarHBondContact O-N 3.05Å; A344-A348 WeakPolarHBondContact O-CB 3.29Å; A344-A348 PolarHBondContact O-N 3.07Å |
| 345 | A | 45.6 | Very low | 43.1 | Very low | 62 Ų | 62 | 90.8 Ų | 90.8 | 51% | 0.512 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.8 | -41.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A341 A349 | A341-A345 PolarHBondContact O-N 2.87Å; A345-A349 WeakPolarHBondContact O-CB 3.3Å; A345-A349 PolarHBondContact O-N 3.43Å |
| 346 | A | 45 | Very low | 42.8 | Very low | 58 Ų | 58 | 85.2 Ų | 85.2 | 48% | 0.479 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T342 T343 A350 | T342-A346 WeakPolarHBondContact O-CB 3.42Å; T342-A346 PolarHBondContact O-N 3.5Å; T343-A346 PolarHBondContact O-N 3.05Å; A346-A350 VanDerWaalsContact O-CB 3.31Å; A346-A350 WeakPolarHBondContact O-CB 3.42Å; A346-A350 PolarHBondContact O-N 3.3Å |
| 347 | A | 43.7 | Very low | 42.1 | Very low | 64 Ų | 64 | 83.1 Ų | 83.1 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.8 | -41.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T343 A344 A350 A351 | T343-A347 WeakPolarHBondContact O-CB 3.37Å; T343-A347 PolarHBondContact O-N 2.79Å; A344-A347 PolarHBondContact O-N 3.05Å; A347-A350 PolarHBondContact O-N 2.8Å; A347-A351 PolarHBondContact O-N 3.3Å |
| 348 | A | 47.2 | Very low | 42 | Very low | 65 Ų | 65 | 78.4 Ų | 78.4 | 54% | 0.537 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.5 | -36.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A344 A351 A352 | A344-A348 WeakPolarHBondContact O-CB 3.29Å; A344-A348 PolarHBondContact O-N 3.07Å; A348-A351 PolarHBondContact O-N 2.66Å; A348-A352 PolarHBondContact O-N 2.89Å |
| 349 | A | 46.4 | Very low | 41.5 | Very low | 54 Ų | 54 | 79.4 Ų | 79.4 | 45% | 0.446 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.7 | -38.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A345 A351 A352 A353 | A345-A349 WeakPolarHBondContact O-CB 3.3Å; A345-A349 PolarHBondContact O-N 3.43Å; A349-A351 VanDerWaalsContact C-N 3.31Å; A349-A351 PolarHBondContact O-N 3.13Å; A349-A352 PolarHBondContact O-N 2.91Å; A349-A352 VanDerWaalsContact O-N 3.14Å; A349-A353 WeakPolarHBondContact O-CB 3.33Å; A349-A353 PolarHBondContact O-N 2.83Å |
| 350 | A | 45 | Very low | 41.2 | Very low | 60 Ų | 60 | 82.5 Ų | 82.5 | 50% | 0.496 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.5 | -37.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | A346 A347 A352 A354 | A346-A350 VanDerWaalsContact O-CB 3.31Å; A346-A350 WeakPolarHBondContact O-CB 3.42Å; A346-A350 PolarHBondContact O-N 3.3Å; A347-A350 PolarHBondContact O-N 2.8Å; A350-A352 PolarHBondContact O-N 2.86Å; A350-A354 VanDerWaalsContact O-CB 3.24Å; A350-A354 WeakPolarHBondContact O-CB 3.3Å; A350-A354 PolarHBondContact O-N 3.3Å; A350-A354 VanDerWaalsContact O-N 3.11Å |
| 351 | A | 42.5 | Very low | 40.7 | Very low | 84 Ų | 84 | 83.9 Ų | 83.9 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.9 | -16.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A347 A348 A349 | A347-A351 PolarHBondContact O-N 3.3Å; A348-A351 PolarHBondContact O-N 2.66Å; A349-A351 VanDerWaalsContact C-N 3.31Å; A349-A351 PolarHBondContact O-N 3.13Å |
| 352 | A | 45.2 | Very low | 40.1 | Very low | 72 Ų | 72 | 84.8 Ų | 84.8 | 60% | 0.595 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -110.5 | -31.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A348 A349 A350 A354 A355 | A348-A352 PolarHBondContact O-N 2.89Å; A349-A352 PolarHBondContact O-N 2.91Å; A349-A352 VanDerWaalsContact O-N 3.14Å; A350-A352 PolarHBondContact O-N 2.86Å; A352-A354 VanDerWaalsContact C-N 3.28Å; A352-A355 PolarHBondContact O-N 2.81Å |
| 353 | A | 44.3 | Very low | 39.3 | Very low | 77 Ų | 77 | 87.8 Ų | 87.8 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -81.4 | -6.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A349 A355 | A349-A353 WeakPolarHBondContact O-CB 3.33Å; A349-A353 PolarHBondContact O-N 2.83Å; A353-A355 PolarHBondContact O-N 2.8Å |
| 354 | A | 32.8 | Very low | 38.7 | Very low | 83 Ų | 83 | 89 Ų | 89 | 69% | 0.686 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 17.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A350 A352 | A350-A354 VanDerWaalsContact O-CB 3.24Å; A350-A354 WeakPolarHBondContact O-CB 3.3Å; A350-A354 PolarHBondContact O-N 3.3Å; A350-A354 VanDerWaalsContact O-N 3.11Å; A352-A354 VanDerWaalsContact C-N 3.28Å |
| 355 | A | 39.9 | Very low | 38.2 | Very low | 64 Ų | 64 | 91.6 Ų | 91.6 | 53% | 0.529 | 64% | 0.64 | S | S | . | * | trans | -58.3 | -168.5 | 138.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A352 A353 S357 | A352-A355 PolarHBondContact O-N 2.81Å; A353-A355 PolarHBondContact O-N 2.8Å; A355-S357 VanDerWaalsContact C-N 3.29Å; A355-S357 PolarHBondContact O-N 3.11Å; A355-S357 VanDerWaalsContact O-N 3.08Å | ||
| 356 | A | 41.3 | Very low | 37.4 | Very low | 96 Ų | 96 | 97.6 Ų | 97.6 | 79% | 0.793 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 64.3 | 14.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 357 | S | 33 | Very low | 36.8 | Very low | 111 Ų | 111 | 100.8 Ų | 100.8 | 78% | 0.776 | 66% | 0.66 | S | S | * | * | trans | -145.2 | 55.2 | 149.6 | 50.8 | 0 | 0 | 0 | 0 | 110.3 | A355 | A355-S357 VanDerWaalsContact C-N 3.29Å; A355-S357 PolarHBondContact O-N 3.11Å; A355-S357 VanDerWaalsContact O-N 3.08Å | ||
| 358 | A | 31.9 | Very low | 36.4 | Very low | 73 Ų | 73 | 103.6 Ų | 103.6 | 60% | 0.603 | 67% | 0.666 | S | S | * | * | 57.4 | 125.3 | 61.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 359 | T | 31.1 | Very low | 35.9 | Very low | 121 Ų | 121 | 108.3 Ų | 108.3 | 74% | 0.742 | 68% | 0.681 | S | S | * | * | trans | 63.6 | 122.7 | -171.2 | 4.9 | 0 | 0 | 0 | 0 | 112.5 | I361 | T359-I361 HydrophobicContact CG2-CD1 4.43Å; T359-I361 HydrophobicContact CG2-CG1 4.34Å | ||
| 360 | M | 30.4 | Very low | 35.3 | Very low | 172 Ų | 172 | 111.4 Ų | 111.4 | 85% | 0.847 | 69% | 0.689 | S | S | * | * | -160.9 | 162.4 | 51.7 | -77.6 | -166.5 | -175.3 | 0 | 0 | 110.9 | |||||
| 361 | I | 30 | Very low | 34.8 | Very low | 133 Ų | 133 | 115.6 Ų | 115.6 | 68% | 0.682 | 70% | 0.703 | S | S | * | * | cis | -162.3 | 160.8 | -23.9 | -115.1 | 165.9 | 0 | 0 | 0 | 106.9 | T359 | T359-I361 HydrophobicContact CG2-CD1 4.43Å; T359-I361 HydrophobicContact CG2-CG1 4.34Å | ||
| 362 | A | 29.8 | Very low | 34.3 | Very low | 77 Ų | 77 | 116.6 Ų | 116.6 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | trans | 46.1 | 109.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 363 | N | 31.3 | Very low | 33.8 | Very low | 165 Ų | 165 | 118.3 Ų | 118.3 | 88% | 0.882 | 71% | 0.709 | S | S | * | * | S | Bend | -125.6 | 61.3 | 88.8 | -164.9 | 15.4 | 0 | 0 | 0 | 113.9 | |||
| 364 | V | 32.1 | Very low | 33.1 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -127 | 112.9 | 151.7 | -158.7 | 0 | 0 | 0 | 0 | 106.4 | Y366 | V364-Y366 PolarHBondContact O-N 3.4Å; V364-Y366 VanDerWaalsContact O-N 3.15Å |
| 365 | N | 34.8 | Very low | 33 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 61% | 0.61 | 72% | 0.722 | S | S | * | * | trans | -79.9 | 94.9 | 179.2 | 176.7 | 3.5 | 0 | 0 | 0 | 109.9 | N367 | N365-N367 VanDerWaalsContact OD1-CG 3.3Å; N365-N367 PolarHBondContact OD1-N 2.93Å; N365-N367 PolarHBondContact OD1-ND2 2.78Å | ||
| 366 | Y | 28.1 | Very low | 32.5 | Very low | 187 Ų | 187 | 130.9 Ų | 130.9 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | trans | -113.7 | 88.6 | 147.4 | -91.9 | -85.2 | 0 | 0 | 0 | 108.6 | V364 N368 | V364-Y366 PolarHBondContact O-N 3.4Å; V364-Y366 VanDerWaalsContact O-N 3.15Å; Y366-N368 PolarHBondContact O-N 2.81Å | ||
| 367 | N | 31.4 | Very low | 32 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 67% | 0.674 | 73% | 0.731 | S | S | * | * | trans | -46.1 | 138.8 | 155 | -70.8 | -45.7 | 0 | 0 | 0 | 109.4 | N365 | N365-N367 VanDerWaalsContact OD1-CG 3.3Å; N365-N367 PolarHBondContact OD1-N 2.93Å; N365-N367 PolarHBondContact OD1-ND2 2.78Å | ||
| 368 | N | 35.7 | Very low | 32.1 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 66% | 0.658 | 73% | 0.728 | S | S | * | * | trans | 79.2 | 51 | 167.4 | -61.6 | -13.3 | 0 | 0 | 0 | 120 | Y366 L370 | Y366-N368 PolarHBondContact O-N 2.81Å; N368-L370 HydrophobicContact CB-CD1 3.64Å; N368-L370 HydrophobicContact CB-CG 4.02Å | ||
| 369 | L | 37 | Very low | 32.1 | Very low | 164 Ų | 164 | 135 Ų | 135 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | trans | -124.2 | 54.9 | 140.3 | -71.2 | 173.4 | 0 | 0 | 0 | 108.6 | ||||
| 370 | L | 34.4 | Very low | 32 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 62% | 0.618 | 74% | 0.741 | S | S | * | * | 43.3 | 106.7 | 78.8 | -88.2 | -178.6 | 0 | 0 | 0 | 113.1 | N368 | N368-L370 HydrophobicContact CB-CD1 3.64Å; N368-L370 HydrophobicContact CB-CG 4.02Å | |||
| 371 | N | 34.5 | Very low | 32.2 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | 56.9 | 130 | 163.5 | -75.5 | 9.1 | 0 | 0 | 0 | 117.2 | ||||
| 372 | C | 30.5 | Very low | 32.3 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | cis | -154.5 | 164.3 | 13.7 | -97.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 373 | P | 34.4 | Very low | 32.3 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | -79.6 | 157 | 158.9 | 35.5 | -33.9 | 0 | 0 | 0 | 111.3 | ||||
| 374 | L | 31.1 | Very low | 32.5 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | -174.7 | 134.8 | 128.4 | -123 | 63.7 | 0 | 0 | 0 | 115.1 | |||||
| 375 | Y | 30.3 | Very low | 32.8 | Very low | 205 Ų | 205 | 132.5 Ų | 132.5 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 36.1 | 107.4 | 139 | -86.4 | -108.2 | 0 | 0 | 0 | 122.4 | ||||
| 376 | T | 28.9 | Very low | 33.2 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | 18.9 | 114.7 | 111.7 | -43.5 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 377 | A | 30.6 | Very low | 34 | Very low | 84 Ų | 84 | 131.6 Ų | 131.6 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | trans | -154.6 | 140.2 | 141.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 378 | P | 36.4 | Very low | 34.5 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -74.6 | 140.9 | 167.1 | 31.2 | -32.1 | 0 | 0 | 0 | 110.3 | ||
| 379 | N | 31.4 | Very low | 34.8 | Very low | 171 Ų | 171 | 127.4 Ų | 127.4 | 91% | 0.914 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 67.3 | 52.7 | 168.1 | -46.8 | -11.7 | 0 | 0 | 0 | 116.5 | ||
| 380 | G | 29.6 | Very low | 35.1 | Very low | 69 Ų | 69 | 123 Ų | 123 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | trans | -156.3 | 121.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 381 | L | 33.2 | Very low | 35.6 | Very low | 172 Ų | 172 | 120.2 Ų | 120.2 | 90% | 0.901 | 72% | 0.715 | S | S | * | * | trans | -85.2 | 127 | 179.4 | -71 | 167.7 | 0 | 0 | 0 | 112 | ||||
| 382 | T | 32.9 | Very low | 35.9 | Very low | 139 Ų | 139 | 118.1 Ų | 118.1 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | trans | -141.2 | 150.8 | 156.2 | 48.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 383 | L | 29.8 | Very low | 36.7 | Very low | 150 Ų | 150 | 121.3 Ų | 121.3 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | trans | -135 | 167.3 | -172.1 | -81.6 | 169.5 | 0 | 0 | 0 | 112.3 | ||||
| 384 | T | 34.9 | Very low | 36.9 | Very low | 99 Ų | 99 | 123.1 Ų | 123.1 | 61% | 0.607 | 72% | 0.717 | S | S | * | * | trans | 63.7 | 112.7 | 164.5 | 68.7 | 0 | 0 | 0 | 0 | 118.7 | H386 | T384-H386 HydrophobicContact CG2-CB 3.69Š| ||
| 385 | S | 39.5 | Very low | 37.2 | Very low | 107 Ų | 107 | 117.7 Ų | 117.7 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | -96.3 | 119.4 | 89.5 | 52.4 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 386 | H | 41.6 | Very low | 37.5 | Very low | 151 Ų | 151 | 110 Ų | 110 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | trans | -90.3 | -6.8 | -168.5 | -136.5 | 31.2 | 0 | 0 | 0 | 113.2 | T384 | T384-H386 HydrophobicContact CG2-CB 3.69Š| ||
| 387 | D | 45.5 | Very low | 37.9 | Very low | 131 Ų | 131 | 109 Ų | 109 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | trans | -99.3 | 6.8 | -164.7 | -54.7 | -88.3 | 0 | 0 | 0 | 114 | L389 | D387-L389 WeakPolarHBondContact O-CA 3.45Š| ||
| 388 | A | 43.1 | Very low | 38.1 | Very low | 80 Ų | 80 | 111.3 Ų | 111.3 | 66% | 0.661 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 72.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 389 | L | 40.9 | Very low | 37.7 | Very low | 81 Ų | 81 | 109.2 Ų | 109.2 | 42% | 0.424 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | cis | -147.4 | 114.3 | 10 | -66 | 161 | 0 | 0 | 0 | 112 | D387 S391 L392 | D387-L389 WeakPolarHBondContact O-CA 3.45Å; L389-S391 VanDerWaalsContact CB-C 3.41Å; L389-S391 PolarHBondContact O-N 3.07Å; L389-L392 HydrophobicContact CB-CB 3.94Å; L389-L392 HydrophobicContact CB-CG 4.26Å; L389-L392 VanDerWaalsContact CB-N 3.28Å; L389-L392 HydrophobicContact CD1-CB 4.41Å; L389-L392 HydrophobicContact CD1-CD1 4.1Å; L389-L392 HydrophobicContact CD1-CG 3.83Å; L389-L392 PolarHBondContact O-N 3.44Å |
| 390 | A | 43.2 | Very low | 38.4 | Very low | 70 Ų | 70 | 105.6 Ų | 105.6 | 58% | 0.579 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -58.6 | -25.5 | 150.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L392 L393 N394 | A390-L392 PolarHBondContact O-N 3.33Å; A390-L393 CarbonylContact O-C 3.53Å; A390-L393 PolarHBondContact O-N 2.93Å; A390-N394 VanDerWaalsContact O-CB 3.3Å; A390-N394 WeakPolarHBondContact O-CB 3.4Å; A390-N394 PolarHBondContact O-N 3.04Å |
| 391 | S | 44.8 | Very low | 38.6 | Very low | 60 Ų | 60 | 106.6 Ų | 106.6 | 42% | 0.42 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -80.9 | 28.7 | 167 | -177.9 | 0 | 0 | 0 | 0 | 114.2 | L389 T395 | L389-S391 VanDerWaalsContact CB-C 3.41Å; L389-S391 PolarHBondContact O-N 3.07Å; S391-T395 WeakPolarHBondContact O-CG2 3.35Å; S391-T395 PolarHBondContact O-OG1 3.05Å; S391-T395 WeakPolarHBondContact OG-CG2 3.33Å |
| 392 | L | 41.3 | Very low | 38.9 | Very low | 106 Ų | 106 | 104.4 Ų | 104.4 | 56% | 0.555 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -109.2 | -40.9 | 153.7 | -109 | 170.2 | 0 | 0 | 0 | 108.7 | L389 A390 N394 T395 | L389-L392 HydrophobicContact CB-CB 3.94Å; L389-L392 HydrophobicContact CB-CG 4.26Å; L389-L392 VanDerWaalsContact CB-N 3.28Å; L389-L392 HydrophobicContact CD1-CB 4.41Å; L389-L392 HydrophobicContact CD1-CD1 4.1Å; L389-L392 HydrophobicContact CD1-CG 3.83Å; L389-L392 PolarHBondContact O-N 3.44Å; A390-L392 PolarHBondContact O-N 3.33Å; L392-N394 VanDerWaalsContact C-N 3.35Å; L392-T395 VanDerWaalsContact CA-OG1 3.3Å; L392-T395 WeakPolarHBondContact CA-OG1 3.32Å; L392-T395 PolarHBondContact O-N 2.98Å; L392-T395 PolarHBondContact O-OG1 2.81Å |
| 393 | L | 47.8 | Very low | 39.2 | Very low | 171 Ų | 171 | 103.4 Ų | 103.4 | 90% | 0.895 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -76.6 | -19.6 | 175.3 | -63.1 | 169.2 | 0 | 0 | 0 | 113.3 | A390 | A390-L393 CarbonylContact O-C 3.53Å; A390-L393 PolarHBondContact O-N 2.93Å |
| 394 | N | 37.6 | Very low | 39.3 | Very low | 145 Ų | 145 | 101.6 Ų | 101.6 | 78% | 0.775 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 18 | 172.2 | -166.4 | 46 | 0 | 0 | 0 | 112.6 | A390 L392 | A390-N394 VanDerWaalsContact O-CB 3.3Å; A390-N394 WeakPolarHBondContact O-CB 3.4Å; A390-N394 PolarHBondContact O-N 3.04Å; L392-N394 VanDerWaalsContact C-N 3.35Å |
| 395 | T | 38.7 | Very low | 39.1 | Very low | 38 Ų | 38 | 101.5 Ų | 101.5 | 23% | 0.233 | 61% | 0.613 | C | S | . | * | S | Bend | trans | -113.7 | 131.6 | 163.9 | 51.7 | 0 | 0 | 0 | 0 | 110.2 | S391 L392 L397 | S391-T395 WeakPolarHBondContact O-CG2 3.35Å; S391-T395 PolarHBondContact O-OG1 3.05Å; S391-T395 WeakPolarHBondContact OG-CG2 3.33Å; L392-T395 VanDerWaalsContact CA-OG1 3.3Å; L392-T395 WeakPolarHBondContact CA-OG1 3.32Å; L392-T395 PolarHBondContact O-N 2.98Å; L392-T395 PolarHBondContact O-OG1 2.81Å; T395-L397 HydrophobicContact CG2-CD1 3.95Å; T395-L397 PolarHBondContact O-N 3.4Å |
| 396 | G | 35.8 | Very low | 39.7 | Very low | 44 Ų | 44 | 103 Ų | 103 | 45% | 0.454 | 61% | 0.608 | S | S | . | * | trans | -71.9 | 60.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V398 S399 | G396-V398 VanDerWaalsContact C-C 3.45Å; G396-V398 CarbonylContact O-C 3.6Å; G396-S399 WeakPolarHBondContact CA-OG 3.43Å; G396-S399 PolarHBondContact O-N 3.3Å | ||
| 397 | L | 37.8 | Very low | 39.3 | Very low | 110 Ų | 110 | 101 Ų | 101 | 58% | 0.576 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.5 | 69.6 | -173.8 | -65.8 | 175.5 | 0 | 0 | 0 | 110 | T395 | T395-L397 HydrophobicContact CG2-CD1 3.95Å; T395-L397 PolarHBondContact O-N 3.4Å |
| 398 | V | 33.7 | Very low | 38.6 | Very low | 132 Ų | 132 | 98.4 Ų | 98.4 | 80% | 0.8 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -97 | 134.9 | 21.4 | -172 | 0 | 0 | 0 | 0 | 113.2 | G396 | G396-V398 VanDerWaalsContact C-C 3.45Å; G396-V398 CarbonylContact O-C 3.6Å |
| 399 | S | 29.4 | Very low | 38.7 | Very low | 68 Ų | 68 | 99.8 Ų | 99.8 | 48% | 0.476 | 60% | 0.595 | S | S | . | * | trans | -156.3 | 163.3 | 157.6 | -67.7 | 0 | 0 | 0 | 0 | 110.9 | G396 | G396-S399 WeakPolarHBondContact CA-OG 3.43Å; G396-S399 PolarHBondContact O-N 3.3Å | ||
| 400 | P | 46.3 | Very low | 38.2 | Very low | 95 Ų | 95 | 99.9 Ų | 99.9 | 62% | 0.617 | 59% | 0.592 | S | S | * | * | cis | -116.3 | 93.8 | -20.5 | 27.4 | -9.1 | 0 | 0 | 0 | 108 | I402 | P400-I402 WeakPolarHBondContact O-CA 3.29Å; P400-I402 VanDerWaalsContact O-CB 3.26Å; P400-I402 WeakPolarHBondContact O-CB 3.48Å; P400-I402 PolarHBondContact O-N 2.87Å | ||
| 401 | S | 33.2 | Very low | 37.6 | Very low | 89 Ų | 89 | 102.6 Ų | 102.6 | 62% | 0.622 | 61% | 0.607 | S | S | * | * | trans | -37.6 | 16.3 | -153.8 | -42.7 | 0 | 0 | 0 | 0 | 123.6 | V403 | S401-V403 PolarHBondContact O-N 3.36Š| ||
| 402 | I | 39.1 | Very low | 37 | Very low | 127 Ų | 127 | 103.8 Ų | 103.8 | 65% | 0.651 | 62% | 0.62 | S | S | * | * | -43.5 | 97.9 | 122.4 | -54.3 | 164.4 | 0 | 0 | 0 | 107.7 | P400 | P400-I402 WeakPolarHBondContact O-CA 3.29Å; P400-I402 VanDerWaalsContact O-CB 3.26Å; P400-I402 WeakPolarHBondContact O-CB 3.48Å; P400-I402 PolarHBondContact O-N 2.87Å | |||
| 403 | V | 39.3 | Very low | 36.5 | Very low | 118 Ų | 118 | 103.3 Ų | 103.3 | 72% | 0.715 | 62% | 0.618 | S | S | * | * | S | Bend | -141.6 | 68.8 | 111.7 | -162.1 | 0 | 0 | 0 | 0 | 107.6 | S401 | S401-V403 PolarHBondContact O-N 3.36Š| |
| 404 | N | 31 | Very low | 35.6 | Very low | 111 Ų | 111 | 104 Ų | 104 | 59% | 0.594 | 62% | 0.617 | S | S | * | * | trans | 40.1 | 85.8 | 160.9 | -58.9 | -15.8 | 0 | 0 | 0 | 117 | Q406 | N404-Q406 HydrophobicContact CB-CB 4.17Š| ||
| 405 | S | 32.6 | Very low | 35.1 | Very low | 97 Ų | 97 | 104.3 Ų | 104.3 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | trans | -138.6 | 78.2 | 157.2 | -76.7 | 0 | 0 | 0 | 0 | 112.3 | L407 | S405-L407 WeakPolarHBondContact OG-CB 3.35Š| ||
| 406 | Q | 50.2 | Low | 34.6 | Very low | 138 Ų | 138 | 110.9 Ų | 110.9 | 65% | 0.645 | 64% | 0.639 | S | S | * | * | cis | 50.6 | 14.1 | 11.1 | -76.2 | -91.3 | -57 | 0 | 0 | 115.3 | N404 N409 | N404-Q406 HydrophobicContact CB-CB 4.17Å; Q406-N409 PolarHBondContact NE2-ND2 2.95Å | ||
| 407 | L | 33.3 | Very low | 34.1 | Very low | 110 Ų | 110 | 113.8 Ų | 113.8 | 58% | 0.576 | 65% | 0.652 | S | S | * | * | trans | -133.4 | 14.6 | 174.7 | -157.6 | 78.3 | 0 | 0 | 0 | 109.8 | S405 F410 | S405-L407 WeakPolarHBondContact OG-CB 3.35Å; L407-F410 HydrophobicContact CD1-CD2 4.04Å; L407-F410 HydrophobicContact CD1-CE2 3.65Å; L407-F410 HydrophobicContact CD1-CZ 4.34Å; L407-F410 HydrophobicContact CG-CD2 4.21Å; L407-F410 HydrophobicContact CG-CE2 4.3Å; L407-F410 WeakPolarHBondContact O-CB 3.5Å | ||
| 408 | A | 30.8 | Very low | 33.7 | Very low | 76 Ų | 76 | 113.7 Ų | 113.7 | 63% | 0.628 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -127.7 | -10.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F410 S411 | A408-F410 PolarHBondContact O-N 2.94Å; A408-S411 PolarHBondContact O-N 2.89Å |
| 409 | N | 46.9 | Very low | 33.4 | Very low | 109 Ų | 109 | 112.4 Ų | 112.4 | 58% | 0.583 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | -53.6 | 41.9 | 124.6 | -79.8 | 1.1 | 0 | 0 | 0 | 113 | Q406 | Q406-N409 PolarHBondContact NE2-ND2 2.95Š| |
| 410 | F | 29.6 | Very low | 33.3 | Very low | 83 Ų | 83 | 115.3 Ų | 115.3 | 36% | 0.364 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.8 | -3.6 | 164 | -100.7 | -107.9 | 0 | 0 | 0 | 111.1 | L407 A408 A412 L413 Q414 | L407-F410 HydrophobicContact CD1-CD2 4.04Å; L407-F410 HydrophobicContact CD1-CE2 3.65Å; L407-F410 HydrophobicContact CD1-CZ 4.34Å; L407-F410 HydrophobicContact CG-CD2 4.21Å; L407-F410 HydrophobicContact CG-CE2 4.3Å; L407-F410 WeakPolarHBondContact O-CB 3.5Å; A408-F410 PolarHBondContact O-N 2.94Å; F410-A412 PolarHBondContact O-N 3.46Å; F410-A412 VanDerWaalsContact O-N 3.11Å; F410-L413 HydrophobicContact CB-CB 4.49Å; F410-L413 HydrophobicContact CD1-CB 3.67Å; F410-L413 WeakPolarHBondContact CD1-O 3.49Å; F410-L413 HydrophobicContact CD2-CB 4.02Å; F410-L413 HydrophobicContact CE1-CB 3.75Å; F410-L413 HydrophobicContact CE2-CB 4.09Å; F410-L413 HydrophobicContact CE2-CD1 4.17Å; F410-L413 HydrophobicContact CG-CB 3.82Å; F410-L413 HydrophobicContact CZ-CB 3.96Å; F410-L413 HydrophobicContact CZ-CD1 4.2Å; F410-L413 CarbonylContact O-C 3.54Å; F410-L413 PolarHBondContact O-N 3.49Å; F410-Q414 PolarHBondContact O-N 3.3Å |
| 411 | S | 29.9 | Very low | 32.3 | Very low | 128 Ų | 128 | 119 Ų | 119 | 90% | 0.895 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -5.5 | 157 | -57 | 0 | 0 | 0 | 0 | 112.9 | A408 | A408-S411 PolarHBondContact O-N 2.89Š|
| 412 | A | 32.2 | Very low | 32.1 | Very low | 84 Ų | 84 | 119.3 Ų | 119.3 | 69% | 0.694 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F410 | F410-A412 PolarHBondContact O-N 3.46Å; F410-A412 VanDerWaalsContact O-N 3.11Å |
| 413 | L | 30.5 | Very low | 31.5 | Very low | 97 Ų | 97 | 117.8 Ų | 117.8 | 51% | 0.508 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -138.6 | 13.4 | 179.6 | -96.3 | 178.8 | 0 | 0 | 0 | 115.4 | F410 Q415 | F410-L413 HydrophobicContact CB-CB 4.49Å; F410-L413 HydrophobicContact CD1-CB 3.67Å; F410-L413 WeakPolarHBondContact CD1-O 3.49Å; F410-L413 HydrophobicContact CD2-CB 4.02Å; F410-L413 HydrophobicContact CE1-CB 3.75Å; F410-L413 HydrophobicContact CE2-CB 4.09Å; F410-L413 HydrophobicContact CE2-CD1 4.17Å; F410-L413 HydrophobicContact CG-CB 3.82Å; F410-L413 HydrophobicContact CZ-CB 3.96Å; F410-L413 HydrophobicContact CZ-CD1 4.2Å; F410-L413 CarbonylContact O-C 3.54Å; F410-L413 PolarHBondContact O-N 3.49Å; L413-Q415 PolarHBondContact O-N 2.88Å; L413-Q415 VanDerWaalsContact O-N 3.08Å |
| 414 | Q | 29.4 | Very low | 31 | Very low | 185 Ų | 185 | 121.7 Ų | 121.7 | 86% | 0.864 | 67% | 0.666 | S | S | * | * | trans | -73.5 | 31.1 | 148 | -76.8 | -158.2 | -6.6 | 0 | 0 | 111.3 | F410 K416 | F410-Q414 PolarHBondContact O-N 3.3Å; Q414-K416 PolarHBondContact O-N 3.41Å | ||
| 415 | Q | 27.6 | Very low | 30.9 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 71% | 0.71 | 67% | 0.672 | S | S | * | * | trans | -73.5 | 120.2 | 146.7 | -78.3 | -157.7 | 3.2 | 0 | 0 | 108.4 | L413 | L413-Q415 PolarHBondContact O-N 2.88Å; L413-Q415 VanDerWaalsContact O-N 3.08Å | ||
| 416 | K | 27.1 | Very low | 30.6 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 77% | 0.765 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 66.3 | 98.7 | 136.1 | -169.7 | -176.4 | 178.4 | -177.8 | 0 | 116.4 | Q414 | Q414-K416 PolarHBondContact O-N 3.41Š|
| 417 | S | 27.2 | Very low | 29.4 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | 66.6 | 172 | 151.2 | 72 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 418 | T | 27.8 | Very low | 29.2 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 67% | 0.669 | 68% | 0.683 | S | S | * | * | cis | -119 | 152.7 | 1.8 | 36.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 419 | T | 27.5 | Very low | 29.2 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 64% | 0.638 | 68% | 0.684 | S | S | * | * | 29.7 | 114.4 | 92.6 | 92.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 420 | D | 27.1 | Very low | 28.4 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 69% | 0.69 | 69% | 0.688 | S | S | * | * | -166.3 | 163.9 | 54 | -80.9 | -64.1 | 0 | 0 | 0 | 108.4 | |||||
| 421 | F | 27 | Very low | 28.3 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | cis | -137.5 | 150.8 | 10.9 | -131.7 | -158.9 | 0 | 0 | 0 | 107.9 | ||||
| 422 | T | 27 | Very low | 28.3 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 60% | 0.595 | 69% | 0.691 | S | S | * | * | 39.3 | 112 | 96.5 | -41 | 0 | 0 | 0 | 0 | 112 | |||||
| 423 | S | 28.1 | Very low | 28.1 | Very low | 94 Ų | 94 | 133 Ų | 133 | 66% | 0.657 | 70% | 0.695 | S | S | * | * | -157.5 | 139.1 | 50.8 | 87.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 424 | R | 27.7 | Very low | 28.2 | Very low | 200 Ų | 200 | 135.6 Ų | 135.6 | 76% | 0.755 | 71% | 0.708 | S | S | * | * | 73.6 | 135 | 96.6 | -72.4 | -175.9 | -178.6 | -172.9 | 0.6 | 115.4 | |||||
| 425 | F | 29.8 | Very low | 28.5 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | trans | 74.8 | 126.1 | 145.9 | -78.2 | -134.4 | 0 | 0 | 0 | 113.6 | ||||
| 426 | N | 25.4 | Very low | 28.8 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | 60.5 | 136.2 | 79 | -67.3 | -35.5 | 0 | 0 | 0 | 112.5 | |||||
| 427 | S | 26.5 | Very low | 29.1 | Very low | 94 Ų | 94 | 127.2 Ų | 127.2 | 66% | 0.657 | 69% | 0.687 | S | S | * | * | trans | 62.2 | 141.4 | 153.3 | 48.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 428 | E | 28.3 | Very low | 29.4 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | trans | 71.6 | 149.2 | 144.6 | -70.9 | -177.7 | -167.2 | 0 | 0 | 117.4 | ||||
| 429 | L | 29.7 | Very low | 29.6 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | cis | -151.3 | 155.7 | -9.6 | -102.8 | 157.9 | 0 | 0 | 0 | 108.7 | ||||
| 430 | L | 30.8 | Very low | 30.1 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 67% | 0.665 | 69% | 0.688 | S | S | * | * | trans | 56.1 | 155.5 | 140.9 | -64.9 | 168.6 | 0 | 0 | 0 | 122.9 | ||||
| 431 | N | 28.2 | Very low | 30.5 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 68% | 0.684 | 69% | 0.688 | S | S | * | * | trans | 29.9 | 132.7 | 136.8 | -49.4 | -10.1 | 0 | 0 | 0 | 119.3 | ||||
| 432 | G | 29.5 | Very low | 31.1 | Very low | 62 Ų | 62 | 129.6 Ų | 129.6 | 64% | 0.639 | 68% | 0.684 | S | S | * | * | cis | 90.1 | 162.7 | 22 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 433 | F | 27.2 | Very low | 31.7 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 77% | 0.772 | 69% | 0.689 | S | S | * | * | trans | 63.3 | 169.9 | -164.6 | -65.9 | -104.9 | 0 | 0 | 0 | 111.6 | ||||
| 434 | I | 32.9 | Very low | 32.4 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 78% | 0.779 | 69% | 0.688 | S | S | * | * | cis | -129.7 | 123.5 | 12.1 | -63.1 | 167.3 | 0 | 0 | 0 | 106.4 | ||||
| 435 | Q | 35.6 | Very low | 32.7 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | 62.1 | 147.8 | 84 | -125.6 | -159.2 | 86.8 | 0 | 0 | 114.2 | |||||
| 436 | P | 34 | Very low | 32.9 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | -149.4 | 143.9 | 81.4 | 37.4 | -19.2 | 0 | 0 | 0 | 117.2 | |||||
| 437 | T | 33.8 | Very low | 33.5 | Very low | 98 Ų | 98 | 126 Ų | 126 | 60% | 0.601 | 70% | 0.695 | S | S | * | * | trans | 63.7 | 147.8 | 146.5 | 59.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 438 | K | 33 | Very low | 33.8 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | cis | -168.5 | 171.1 | -0.1 | -109.5 | 167.2 | -179.2 | 175.4 | 0 | 106.5 | ||||
| 439 | F | 32.3 | Very low | 33.9 | Very low | 165 Ų | 165 | 123.7 Ų | 123.7 | 72% | 0.724 | 69% | 0.693 | S | S | * | * | cis | -162.1 | 152.1 | -3.2 | -126.4 | -26.9 | 0 | 0 | 0 | 107.6 | ||||
| 440 | S | 37.6 | Very low | 34.1 | Very low | 89 Ų | 89 | 124.4 Ų | 124.4 | 62% | 0.622 | 70% | 0.697 | S | S | * | * | trans | 62.2 | 161.6 | 148.5 | -63.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 441 | N | 36.4 | Very low | 34.2 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | cis | -176.9 | 150.9 | -29.4 | -92.7 | 123 | 0 | 0 | 0 | 105.5 | ||||
| 442 | D | 38.6 | Very low | 34.4 | Very low | 124 Ų | 124 | 124 Ų | 124 | 66% | 0.663 | 70% | 0.699 | S | S | * | * | cis | -164.9 | -174.3 | -12.6 | -145.9 | -86.2 | 0 | 0 | 0 | 110.6 | ||||
| 443 | S | 41.3 | Very low | 34.7 | Very low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | trans | 32.5 | 142.8 | 144.1 | -76.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 444 | S | 40.7 | Very low | 35.1 | Very low | 91 Ų | 91 | 124.8 Ų | 124.8 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | cis | -172.3 | 168.1 | 7.4 | 52.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 445 | N | 35.8 | Very low | 35.2 | Very low | 153 Ų | 153 | 124 Ų | 124 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | 57.6 | 122.4 | 154.6 | -55.6 | -23 | 0 | 0 | 0 | 119.3 | ||||
| 446 | N | 33.8 | Very low | 35.2 | Very low | 145 Ų | 145 | 123.4 Ų | 123.4 | 78% | 0.775 | 70% | 0.699 | S | S | * | * | -169 | 129.6 | 71.5 | -164.9 | 22.4 | 0 | 0 | 0 | 113.1 | |||||
| 447 | T | 36.6 | Very low | 35.2 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 71% | 0.712 | 70% | 0.7 | S | S | * | * | trans | 32.1 | 134.5 | 136.3 | -50.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 448 | T | 33.8 | Very low | 35 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | cis | -170.8 | 178.1 | -8.4 | -89.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 449 | C | 30.8 | Very low | 34.9 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 70% | 0.696 | 71% | 0.71 | S | S | * | * | trans | 92.1 | 70.2 | 172.7 | -61.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 450 | N | 32.4 | Very low | 35.1 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | 47 | 129 | 126.9 | -38.5 | -17.3 | 0 | 0 | 0 | 119.5 | |||||
| 451 | N | 32.9 | Very low | 34.7 | Very low | 146 Ų | 146 | 130 Ų | 130 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | S | Bend | cis | -165.7 | 136.7 | -3 | -103.1 | -4.2 | 0 | 0 | 0 | 105.9 | ||
| 452 | T | 33.2 | Very low | 34.5 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | cis | -153.6 | 117.7 | -4.4 | -60.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 453 | T | 36 | Very low | 34.2 | Very low | 126 Ų | 126 | 130 Ų | 130 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | trans | 58.4 | 157.6 | 162.7 | 57.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 454 | N | 35.4 | Very low | 34 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 68% | 0.684 | 72% | 0.722 | S | S | * | * | cis | -173.4 | 134.6 | -47.7 | -113.9 | 9.9 | 0 | 0 | 0 | 106.6 | ||||
| 455 | I | 35.5 | Very low | 33.8 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | 59 | 139.7 | 100.9 | -73.9 | 177.8 | 0 | 0 | 0 | 114.5 | |||||
| 456 | N | 36.1 | Very low | 33.7 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 67% | 0.668 | 72% | 0.722 | S | S | * | * | cis | 152 | 155.3 | -16.4 | -114.7 | -36.6 | 0 | 0 | 0 | 106.5 | ||||
| 457 | H | 32.4 | Very low | 33.7 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 69% | 0.694 | 72% | 0.721 | S | S | * | * | trans | 81.9 | 165 | 144.7 | -84.3 | 33.6 | 0 | 0 | 0 | 122.8 | ||||
| 458 | Y | 29.9 | Very low | 33.6 | Very low | 204 Ų | 204 | 134.9 Ų | 134.9 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | trans | 74.6 | 108.9 | -179.1 | -63.8 | -79.9 | 0 | 0 | 0 | 116.1 | ||||
| 459 | N | 32.2 | Very low | 33.5 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | cis | 78 | 99.4 | 17.1 | -168.7 | 19 | 0 | 0 | 0 | 117.1 | ||||
| 460 | H | 34.8 | Very low | 33.7 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | 171.3 | 154.4 | 156 | -98.9 | 27.5 | 0 | 0 | 0 | 107.8 | ||||
| 461 | N | 29.5 | Very low | 33.8 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 61% | 0.61 | 73% | 0.729 | S | S | * | * | cis | -161.8 | -177.4 | -16.8 | -116.5 | -1.2 | 0 | 0 | 0 | 109.4 | ||||
| 462 | N | 32.7 | Very low | 33.9 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | trans | 72.5 | 107.8 | 178.7 | -53.8 | -12.3 | 0 | 0 | 0 | 113.5 | ||||
| 463 | S | 32.2 | Very low | 34.1 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | cis | 67.5 | 114.6 | 27.5 | -162 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 464 | I | 37.2 | Very low | 34.1 | Very low | 159 Ų | 159 | 134 Ų | 134 | 82% | 0.815 | 73% | 0.727 | S | S | * | * | trans | -169.5 | 125.2 | 130.9 | -95.1 | 154 | 0 | 0 | 0 | 108.5 | ||||
| 465 | N | 35.8 | Very low | 34.1 | Very low | 133 Ų | 133 | 136 Ų | 136 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | 24.9 | 150.5 | 150.7 | -63.2 | -4.8 | 0 | 0 | 0 | 122.5 | ||||
| 466 | N | 34.4 | Very low | 34.1 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | cis | -151 | 168.4 | 13.3 | -136.4 | -14 | 0 | 0 | 0 | 114.7 | ||||
| 467 | N | 34.6 | Very low | 34.1 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | -102.7 | -179.9 | -172.8 | -77.4 | -36.4 | 0 | 0 | 0 | 115.1 | ||||
| 468 | N | 34.5 | Very low | 34.1 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 91.7 | 121.1 | 165.7 | -55.9 | -11.3 | 0 | 0 | 0 | 115.3 | ||||
| 469 | T | 32.1 | Very low | 34.4 | Very low | 111 Ų | 111 | 132 Ų | 132 | 68% | 0.681 | 74% | 0.736 | S | S | * | * | cis | 82.5 | 149.3 | 32.7 | 79.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 470 | N | 34.8 | Very low | 34.4 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | 78 | 147.3 | -175.5 | -38.4 | -36.3 | 0 | 0 | 0 | 113 | ||||
| 471 | N | 33.1 | Very low | 34.3 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | cis | -155.8 | 140.3 | 9.1 | -161.9 | 22.4 | 0 | 0 | 0 | 114.9 | ||||
| 472 | A | 36.2 | Very low | 34.5 | Very low | 64 Ų | 64 | 128.4 Ų | 128.4 | 53% | 0.529 | 76% | 0.761 | S | S | . | * | trans | 51.3 | 160.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 473 | N | 36.4 | Very low | 34.6 | Very low | 166 Ų | 166 | 124.9 Ų | 124.9 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | 80.5 | 128.2 | 164.3 | -47.6 | -40.9 | 0 | 0 | 0 | 117.2 | ||||
| 474 | G | 37.2 | Very low | 34.9 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | cis | -156.5 | 147.7 | -7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 475 | L | 34.9 | Very low | 34.8 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | 66.8 | 122.8 | 95.8 | -161.2 | 82.2 | 0 | 0 | 0 | 113.8 | |||||
| 476 | V | 34.5 | Very low | 34.9 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | cis | 158.3 | 163.7 | -15.4 | 147.2 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 477 | T | 36.8 | Very low | 35.2 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | 83.9 | 151.9 | 179.6 | 72.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 478 | D | 31.6 | Very low | 35.3 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | -171.3 | 161.9 | -50.3 | -115.1 | -46.2 | 0 | 0 | 0 | 114 | |||||
| 479 | F | 36.2 | Very low | 35.3 | Very low | 173 Ų | 173 | 127.4 Ų | 127.4 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | 59.8 | 136.2 | 158.3 | -74.7 | -65.9 | 0 | 0 | 0 | 125.2 | ||||
| 480 | N | 33.2 | Very low | 35.3 | Very low | 159 Ų | 159 | 126.7 Ų | 126.7 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | 67.8 | 144.6 | 153 | -68 | -22.6 | 0 | 0 | 0 | 121.2 | ||||
| 481 | G | 32.4 | Very low | 35.1 | Very low | 73 Ų | 73 | 124.2 Ų | 124.2 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | cis | 163.7 | 127.9 | -11.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 482 | G | 33.1 | Very low | 35 | Very low | 90 Ų | 90 | 125.6 Ų | 125.6 | 93% | 0.928 | 77% | 0.77 | S | S | * | * | trans | 77.8 | 151.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 483 | G | 36.3 | Very low | 34.8 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | cis | 163.2 | 158.2 | -1.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 484 | T | 36.9 | Very low | 34.3 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | cis | -118.5 | -168.8 | 6 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 485 | R | 36.1 | Very low | 34 | Very low | 208 Ų | 208 | 126.1 Ų | 126.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | cis | 73.9 | 126.8 | 21.5 | -86.6 | -162.1 | 177.1 | -142.2 | 8.3 | 115.1 | ||||
| 486 | E | 37.4 | Very low | 33.8 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | cis | -139.1 | -161.7 | 2 | -57.6 | -156.9 | 164.2 | 0 | 0 | 110.6 | ||||
| 487 | S | 41.7 | Very low | 33.6 | Very low | 80 Ų | 80 | 121.6 Ų | 121.6 | 56% | 0.559 | 79% | 0.789 | S | S | * | * | cis | -163 | 159.5 | 7.9 | -143.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 488 | N | 36.7 | Very low | 33.4 | Very low | 141 Ų | 141 | 120.2 Ų | 120.2 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | 25 | 145.4 | 143.3 | -55.6 | -29.3 | 0 | 0 | 0 | 121.4 | ||||
| 489 | L | 34.2 | Very low | 33.4 | Very low | 168 Ų | 168 | 118.9 Ų | 118.9 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | cis | -158.4 | 147.5 | 36.7 | -174.8 | 69.7 | 0 | 0 | 0 | 112.8 | ||||
| 490 | A | 31.2 | Very low | 33.3 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -153.2 | 130.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 491 | A | 31.2 | Very low | 33.2 | Very low | 97 Ų | 97 | 112.3 Ų | 112.3 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | 175.8 | 110.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 492 | L | 30.9 | Very low | 33 | Very low | 180 Ų | 180 | 114.9 Ų | 114.9 | 94% | 0.942 | 79% | 0.791 | S | S | * | * | trans | -177.5 | 135.7 | 146.9 | -139.1 | 64 | 0 | 0 | 0 | 109.4 | ||||
| 493 | A | 31.8 | Very low | 32.8 | Very low | 96 Ų | 96 | 116.8 Ų | 116.8 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | cis | -153.8 | 166.8 | -26.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 494 | A | 25.7 | Very low | 32.4 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | trans | -115.4 | 123.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 495 | A | 30.4 | Very low | 32 | Very low | 107 Ų | 107 | 120 Ų | 120 | 88% | 0.884 | 77% | 0.771 | S | S | * | * | trans | -169.6 | 147.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 496 | A | 31 | Very low | 31.8 | Very low | 90 Ų | 90 | 113.6 Ų | 113.6 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | cis | -127.9 | 154 | -5.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 497 | A | 30.4 | Very low | 31.3 | Very low | 94 Ų | 94 | 113 Ų | 113 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | 63.1 | 141.6 | 54 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 498 | A | 32 | Very low | 30.7 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | 69.2 | 107.6 | -161.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 499 | A | 33.1 | Very low | 30.5 | Very low | 95 Ų | 95 | 113.9 Ų | 113.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | 77.1 | 106.5 | 78.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 500 | A | 33.2 | Very low | 30.4 | Very low | 94 Ų | 94 | 111.1 Ų | 111.1 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | 70.9 | 132.9 | 89.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 501 | S | 31.4 | Very low | 30.4 | Very low | 100 Ų | 100 | 112.6 Ų | 112.6 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | cis | 179.2 | -157.6 | 8.4 | -95.1 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 502 | T | 28.1 | Very low | 30.4 | Very low | 128 Ų | 128 | 114.5 Ų | 114.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 72.9 | 146.4 | 174.4 | 81.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 503 | I | 29.1 | Very low | 30.2 | Very low | 129 Ų | 129 | 113.2 Ų | 113.2 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | cis | -141.7 | 152 | -2.1 | 0.6 | 173.8 | 0 | 0 | 0 | 105.2 | ||||
| 504 | F | 27 | Very low | 30.1 | Very low | 179 Ų | 179 | 115.1 Ų | 115.1 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | cis | -136.2 | 144.6 | 18.2 | -107.7 | -89.1 | 0 | 0 | 0 | 107.1 | ||||
| 505 | C | 29.9 | Very low | 30.3 | Very low | 102 Ų | 102 | 115.8 Ų | 115.8 | 69% | 0.689 | 74% | 0.743 | S | S | * | * | cis | 64.8 | 134.3 | 40.1 | -49.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 506 | G | 31.5 | Very low | 30.3 | Very low | 75 Ų | 75 | 117.2 Ų | 117.2 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | cis | -167.6 | 165.8 | -8.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 507 | S | 27.2 | Very low | 30.2 | Very low | 118 Ų | 118 | 118.2 Ų | 118.2 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -69.4 | 172.3 | 168.6 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 508 | P | 29.1 | Very low | 30.3 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -73.6 | 160.2 | -145.1 | 27.6 | -35.5 | 0 | 0 | 0 | 117.1 | ||||
| 509 | T | 32.6 | Very low | 30.3 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | trans | -32 | 157.2 | 154.8 | 39.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 510 | P | 32.7 | Very low | 30.4 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | cis | -143.2 | 150.3 | 35.5 | 40 | -20.4 | 0 | 0 | 0 | 119.9 | ||||
| 511 | N | 30.2 | Very low | 30.3 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | trans | 51 | 138.1 | 130.7 | -55 | -7.4 | 0 | 0 | 0 | 122.7 | ||||
| 512 | N | 30.2 | Very low | 31 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | trans | 73.4 | 144.8 | 149.7 | -63.1 | -11.9 | 0 | 0 | 0 | 116.6 | ||||
| 513 | F | 28.1 | Very low | 31.3 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | cis | -149.3 | 162.6 | 9.1 | -139.6 | -152.9 | 0 | 0 | 0 | 110 | ||||
| 514 | M | 30.2 | Very low | 31.6 | Very low | 136 Ų | 136 | 127 Ų | 127 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | trans | 36.3 | 138.5 | 143.6 | -69.8 | -172.4 | -177.3 | 0 | 0 | 120.9 | ||||
| 515 | N | 29.9 | Very low | 31.8 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | cis | -162.3 | 179.8 | 10.8 | -136.3 | -40.4 | 0 | 0 | 0 | 112.7 | ||||
| 516 | N | 30.1 | Very low | 31.9 | Very low | 138 Ų | 138 | 124.2 Ų | 124.2 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | trans | -37.1 | 139.6 | 158.2 | -64.9 | -73.9 | 0 | 0 | 0 | 114.3 | ||||
| 517 | C | 28.5 | Very low | 32.1 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 75% | 0.75 | 73% | 0.732 | S | S | * | * | 172.1 | 142.3 | 117.9 | -85.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 518 | L | 32.8 | Very low | 32.8 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | cis | -158.9 | 174.9 | -8.8 | -120.9 | 170.3 | 0 | 0 | 0 | 109.9 | ||||
| 519 | R | 31.8 | Very low | 32.9 | Very low | 210 Ų | 210 | 126.8 Ų | 126.8 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | trans | -33.2 | 158.7 | 159.9 | -63.5 | 166.2 | 165.2 | -178.9 | -7.1 | 113.7 | ||||
| 520 | S | 35.8 | Very low | 32.9 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | -171.6 | 165.8 | 58.2 | -47.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 521 | N | 31.4 | Very low | 32.8 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | cis | -147 | 157.9 | -1.7 | -146.8 | 29.9 | 0 | 0 | 0 | 109.6 | ||||
| 522 | P | 44.4 | Very low | 32.9 | Very low | 99 Ų | 99 | 129 Ų | 129 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | trans | -106 | -138 | -175.4 | 41.9 | -33.1 | 0 | 0 | 0 | 111.6 | ||||
| 523 | T | 34.5 | Very low | 33.1 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 73% | 0.73 | 73% | 0.733 | S | S | * | * | trans | 87.7 | 141.5 | 170.9 | 76.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 524 | V | 35.6 | Very low | 33.5 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | cis | -152.3 | 157.7 | -10.5 | 112.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 525 | N | 31.6 | Very low | 33.8 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -5.5 | 141.8 | 162.6 | -40.1 | -26.4 | 0 | 0 | 0 | 119.9 | ||||
| 526 | G | 33 | Very low | 34.1 | Very low | 72 Ų | 72 | 127.4 Ų | 127.4 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | 126.5 | 118.2 | 107.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 527 | A | 33.9 | Very low | 34.5 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | 67.2 | 166 | 143.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 528 | P | 42.4 | Very low | 34.9 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | -104.1 | -175.5 | -165.4 | 40.6 | -35.6 | 0 | 0 | 0 | 114.4 | ||||
| 529 | N | 31.2 | Very low | 35 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | 103 | 138.7 | 155 | -120.3 | -15.6 | 0 | 0 | 0 | 118.7 | ||||
| 530 | L | 32.8 | Very low | 35.2 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | trans | 70.1 | 114.3 | 155.2 | -63.4 | 168.9 | 0 | 0 | 0 | 122.2 | ||||
| 531 | N | 29.9 | Very low | 35.1 | Very low | 133 Ų | 133 | 122.7 Ų | 122.7 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | 90.6 | 136.3 | 125.1 | -100.6 | -13.2 | 0 | 0 | 0 | 124.5 | |||||
| 532 | T | 33.2 | Very low | 35.3 | Very low | 133 Ų | 133 | 123.2 Ų | 123.2 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | trans | 68.4 | 138.1 | 145.3 | 49.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 533 | G | 35.1 | Very low | 34.7 | Very low | 67 Ų | 67 | 126.5 Ų | 126.5 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | 149.5 | 46.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 534 | L | 35.2 | Very low | 34.7 | Very low | 162 Ų | 162 | 124.1 Ų | 124.1 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | 70.8 | 109.5 | 101.1 | -86.5 | 166.2 | 0 | 0 | 0 | 115.8 | |||||
| 535 | L | 37.4 | Very low | 34.6 | Very low | 165 Ų | 165 | 125.2 Ų | 125.2 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | -178.8 | 113.7 | 123.2 | -98.2 | 164.1 | 0 | 0 | 0 | 112.4 | |||||
| 536 | S | 36.7 | Very low | 35.1 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | 53.8 | 133.9 | 144.1 | -154.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 537 | A | 37.9 | Very low | 35.2 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 60% | 0.603 | 77% | 0.772 | S | S | * | * | cis | -168 | 166.7 | -16.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 538 | N | 35.9 | Very low | 35.2 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | 68.9 | 121.9 | 175.5 | -52.7 | -20.3 | 0 | 0 | 0 | 115 | ||||
| 539 | Q | 36.6 | Very low | 34.9 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | 69 | 133.7 | 56.6 | -65 | -167 | 0.3 | 0 | 0 | 113.1 | |||||
| 540 | I | 34.2 | Very low | 35 | Very low | 136 Ų | 136 | 128 Ų | 128 | 70% | 0.697 | 77% | 0.772 | S | S | * | * | cis | -156 | 147.5 | 6.3 | -121.3 | 162.2 | 0 | 0 | 0 | 110.5 | ||||
| 541 | A | 35 | Very low | 35.6 | Very low | 86 Ų | 86 | 126.7 Ų | 126.7 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | 24.4 | -179.7 | 151.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 542 | L | 34.3 | Very low | 35.9 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | cis | -163.4 | 136.8 | 4.3 | -166.1 | 71.7 | 0 | 0 | 0 | 109.9 | ||||
| 543 | L | 33.3 | Very low | 36 | Very low | 168 Ų | 168 | 126.9 Ų | 126.9 | 88% | 0.88 | 77% | 0.773 | S | S | * | * | trans | 55.2 | 153.4 | 162 | -67.2 | 161.2 | 0 | 0 | 0 | 119.2 | ||||
| 544 | G | 34.5 | Very low | 36.1 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | cis | -168.8 | -175.3 | 1.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 545 | T | 33.5 | Very low | 36 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -120.9 | -170.3 | -168.8 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 546 | P | 41.2 | Very low | 35.9 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | -130.3 | -175.2 | -51.2 | 36.2 | -19.7 | 0 | 0 | 0 | 112.7 | |||||
| 547 | T | 35.1 | Very low | 35.7 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -177 | 163.8 | 139.4 | 18 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 548 | I | 33.7 | Very low | 35.6 | Very low | 159 Ų | 159 | 137 Ų | 137 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | -148.1 | 137.9 | -169.2 | -77.5 | 174.7 | 0 | 0 | 0 | 107.6 | ||||
| 549 | P | 36.7 | Very low | 35.5 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | -154.4 | -178.9 | 89.5 | 40.3 | -18.3 | 0 | 0 | 0 | 118.5 | |||||
| 550 | S | 32.1 | Very low | 35.4 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -129.9 | -161.6 | 176.3 | -42.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 551 | P | 45.5 | Very low | 35.4 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -134.5 | -174.9 | -14.1 | 42.6 | -25.6 | 0 | 0 | 0 | 113.9 | ||||
| 552 | D | 36.1 | Very low | 35.3 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | -178.6 | 168.6 | 114.8 | -117.6 | -35.5 | 0 | 0 | 0 | 114.2 | |||||
| 553 | T | 35.2 | Very low | 35.1 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | trans | -146.3 | 160.4 | -164.9 | 57.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 554 | K | 38 | Very low | 35.2 | Very low | 193 Ų | 193 | 135 Ų | 135 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | 157.3 | 152.7 | 150.8 | -88.3 | 155.2 | -171.7 | 170.8 | 0 | 110.9 | ||||
| 555 | L | 34.1 | Very low | 35.3 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | cis | -154.8 | 170.9 | -8.6 | -128.9 | 163.5 | 0 | 0 | 0 | 109.3 | ||||
| 556 | F | 34.5 | Very low | 35.3 | Very low | 194 Ų | 194 | 144.3 Ų | 144.3 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -120 | 165.4 | -175 | -103.9 | -95 | 0 | 0 | 0 | 112.8 | ||||
| 557 | D | 31.5 | Very low | 35.1 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | trans | -131.6 | 120.3 | 161.3 | -176.9 | 3.7 | 0 | 0 | 0 | 110.1 | ||||
| 558 | P | 36.7 | Very low | 35 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -122.9 | 107 | 176 | 35.9 | -20.1 | 0 | 0 | 0 | 113.1 | ||||
| 559 | S | 33 | Very low | 35.2 | Very low | 99 Ų | 99 | 137.3 Ų | 137.3 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -133.2 | 96.6 | 169.3 | 49.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 560 | L | 34.8 | Very low | 35.3 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 175.7 | 158.1 | 155.8 | -98.9 | 158.4 | 0 | 0 | 0 | 110.1 | ||||
| 561 | Y | 33.9 | Very low | 35.7 | Very low | 228 Ų | 228 | 144.6 Ų | 144.6 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | trans | 66.1 | 114.4 | 179.8 | -63.3 | -81.1 | 0 | 0 | 0 | 118 | ||||
| 562 | G | 33.8 | Very low | 35.6 | Very low | 75 Ų | 75 | 150.9 Ų | 150.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -154.9 | 113.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 563 | C | 30.1 | Very low | 35.8 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | -147.3 | 111.4 | 177.4 | -84.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 564 | S | 34.8 | Very low | 36.3 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -173.7 | 132.5 | 162.4 | -84.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 565 | L | 36.9 | Very low | 36.9 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | 79.1 | 152.4 | 69.8 | -83.9 | 164.8 | 0 | 0 | 0 | 114.2 | |||||
| 566 | Y | 34.3 | Very low | 37.8 | Very low | 234 Ų | 234 | 147.2 Ų | 147.2 | 92% | 0.918 | 77% | 0.765 | S | S | * | * | trans | -107.4 | 142.6 | -145.8 | -109.1 | -102.4 | 0 | 0 | 0 | 115.5 | ||||
| 567 | G | 35.6 | Very low | 38.5 | Very low | 69 Ų | 69 | 141.4 Ų | 141.4 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | 83.7 | 150.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 568 | T | 34.1 | Very low | 39.9 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | cis | -145.6 | 158.1 | -6.3 | 54 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 569 | D | 37.2 | Very low | 41.3 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 47% | 0.465 | 73% | 0.731 | S | S | . | * | 169 | 150.9 | 129.3 | -90.8 | 6.5 | 0 | 0 | 0 | 118.1 | H770 | D569-H770 IonicContact OD2-CD2 2.63Å; D569-H770 PolarHBondContact OD2-CD2 3.47Å; D569-H770 IonicContact OD2-CG 2.73Å | |||
| 570 | Y | 39.8 | Very low | 43.2 | Very low | 189 Ų | 189 | 142 Ų | 142 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | trans | 34.9 | 100.3 | 158.7 | -62.3 | -70.1 | 0 | 0 | 0 | 124.8 | ||||
| 571 | F | 39.6 | Very low | 45.1 | Very low | 198 Ų | 198 | 136.8 Ų | 136.8 | 87% | 0.868 | 71% | 0.705 | S | S | * | * | 53.1 | 90.5 | 110.1 | -117.5 | -91.7 | 0 | 0 | 0 | 120.6 | |||||
| 572 | R | 44.3 | Very low | 47.2 | Very low | 244 Ų | 244 | 132.2 Ų | 132.2 | 92% | 0.921 | 69% | 0.692 | S | S | * | * | trans | -162.6 | 149.8 | 155 | -146.1 | 175.7 | 167.6 | 174.2 | -5.5 | 112.9 | ||||
| 573 | P | 40.5 | Very low | 49.5 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 57% | 0.571 | 68% | 0.68 | S | S | * | * | -84.8 | 155.2 | -84.9 | 37.8 | -24.6 | 0 | 0 | 0 | 113.8 | Q575 | P573-Q575 PolarHBondContact O-N 2.98Š| |||
| 574 | Q | 45.2 | Very low | 51.7 | Low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 13 | -170.1 | -151.5 | 175.6 | 13.1 | 0 | 0 | 116.3 | S577 H578 | Q574-S577 PolarHBondContact O-OG 3.45Å; Q574-H578 PolarHBondContact O-ND1 3.46Å |
| 575 | Q | 49.8 | Very low | 53.9 | Low | 153 Ų | 153 | 133.4 Ų | 133.4 | 72% | 0.715 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -97.9 | -33.8 | -165.5 | -139.9 | 170.6 | 10.9 | 0 | 0 | 114 | P573 | P573-Q575 PolarHBondContact O-N 2.98Å |
| 576 | Q | 52.8 | Low | 56.1 | Low | 143 Ų | 143 | 131.9 Ų | 131.9 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.5 | -30.2 | 179.5 | -81.9 | -179.9 | -39.7 | 0 | 0 | 113.5 | H578 Q579 H580 | Q576-H578 VanDerWaalsContact C-N 3.34Å; Q576-Q579 PolarHBondContact O-N 3.48Å; Q576-H580 PolarHBondContact O-N 3.31Å; Q576-H580 VanDerWaalsContact O-N 3.15Å |
| 577 | S | 49.5 | Very low | 58.4 | Low | 72 Ų | 72 | 126.2 Ų | 126.2 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.2 | -37.3 | 174.9 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | Q574 H580 A581 | Q574-S577 PolarHBondContact O-OG 3.45Å; S577-H580 PolarHBondContact O-N 3Å; S577-A581 WeakPolarHBondContact O-CB 3.48Å; S577-A581 PolarHBondContact O-N 3.38Å |
| 578 | H | 61.4 | Low | 60.7 | Low | 115 Ų | 115 | 129 Ų | 129 | 53% | 0.532 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65 | -39.3 | 175.2 | -78.8 | 94.8 | 0 | 0 | 0 | 112.6 | Q574 Q576 A581 Q582 | Q574-H578 PolarHBondContact O-ND1 3.46Å; Q576-H578 VanDerWaalsContact C-N 3.34Å; H578-A581 PolarHBondContact O-N 2.93Å; H578-Q582 PolarHBondContact O-N 3.49Å |
| 579 | Q | 66.4 | Low | 63 | Low | 128 Ų | 128 | 129.9 Ų | 129.9 | 60% | 0.598 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.5 | -46 | 175.1 | -72.7 | -177.1 | -25.7 | 0 | 0 | 111.8 | Q576 A581 Q582 Q583 | Q576-Q579 PolarHBondContact O-N 3.48Å; Q579-A581 VanDerWaalsContact C-N 3.33Å; Q579-A581 PolarHBondContact O-N 3.29Å; Q579-Q582 PolarHBondContact O-N 3.39Å; Q579-Q583 WeakPolarHBondContact O-CB 3.41Å; Q579-Q583 PolarHBondContact O-N 3.12Å |
| 580 | H | 72.8 | Confident | 65.2 | Low | 124 Ų | 124 | 128.9 Ų | 128.9 | 57% | 0.574 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.1 | -39.2 | 175.8 | -109.8 | 87.9 | 0 | 0 | 0 | 112.5 | Q576 S577 Q583 Q584 | Q576-H580 PolarHBondContact O-N 3.31Å; Q576-H580 VanDerWaalsContact O-N 3.15Å; S577-H580 PolarHBondContact O-N 3Å; H580-Q583 PolarHBondContact O-N 3.02Å; H580-Q584 PolarHBondContact O-N 3.19Å |
| 581 | A | 74.5 | Confident | 67.4 | Low | 51 Ų | 51 | 125.9 Ų | 125.9 | 42% | 0.421 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S577 H578 Q579 Q584 Q585 | S577-A581 WeakPolarHBondContact O-CB 3.48Å; S577-A581 PolarHBondContact O-N 3.38Å; H578-A581 PolarHBondContact O-N 2.93Å; Q579-A581 VanDerWaalsContact C-N 3.33Å; Q579-A581 PolarHBondContact O-N 3.29Å; A581-Q584 PolarHBondContact O-N 3.3Å; A581-Q585 PolarHBondContact O-N 2.96Å |
| 582 | Q | 78.7 | Confident | 69.5 | Low | 131 Ų | 131 | 122 Ų | 122 | 61% | 0.612 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.1 | -40.7 | 174 | -78.8 | -175.1 | -28.8 | 0 | 0 | 112 | H578 Q579 Q585 Q586 | H578-Q582 PolarHBondContact O-N 3.49Å; Q579-Q582 PolarHBondContact O-N 3.39Å; Q582-Q585 PolarHBondContact O-N 2.9Å; Q582-Q586 PolarHBondContact O-N 2.75Å |
| 583 | Q | 80.7 | Confident | 71.4 | Confident | 111 Ų | 111 | 116.6 Ų | 116.6 | 52% | 0.519 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.8 | -38.3 | 179.6 | -160.7 | 168.4 | 48.6 | 0 | 0 | 111.8 | Q579 H580 Q586 Q587 | Q579-Q583 WeakPolarHBondContact O-CB 3.41Å; Q579-Q583 PolarHBondContact O-N 3.12Å; H580-Q583 PolarHBondContact O-N 3.02Å; Q583-Q586 PolarHBondContact O-N 2.79Å; Q583-Q587 WeakPolarHBondContact O-CG 3.5Å; Q583-Q587 PolarHBondContact O-N 3.48Å; Q583-Q587 VanDerWaalsContact O-N 3.1Å |
| 584 | Q | 77.6 | Confident | 73.5 | Confident | 112 Ų | 112 | 115 Ų | 115 | 52% | 0.523 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.7 | -39.1 | 170.9 | -74 | -173.3 | 0.2 | 0 | 0 | 112.7 | H580 A581 Q587 Q588 | H580-Q584 PolarHBondContact O-N 3.19Å; A581-Q584 PolarHBondContact O-N 3.3Å; Q584-Q587 PolarHBondContact O-N 2.72Å; Q584-Q588 WeakPolarHBondContact O-CG 3.36Å; Q584-Q588 PolarHBondContact O-N 3.23Å |
| 585 | Q | 81 | Confident | 75.5 | Confident | 120 Ų | 120 | 112.7 Ų | 112.7 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.8 | -41.3 | 174.4 | -80.3 | -170.7 | -15.4 | 0 | 0 | 112.2 | A581 Q582 Q587 Q588 Q589 | A581-Q585 PolarHBondContact O-N 2.96Å; Q582-Q585 PolarHBondContact O-N 2.9Å; Q585-Q587 PolarHBondContact O-N 3.17Å; Q585-Q588 PolarHBondContact O-N 3.3Å; Q585-Q589 WeakPolarHBondContact O-CG 3.4Å; Q585-Q589 PolarHBondContact O-N 2.83Å |
| 586 | Q | 82.2 | Confident | 77.2 | Confident | 135 Ų | 135 | 112.2 Ų | 112.2 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.9 | -40.5 | 174.8 | -76.6 | -174.5 | -16.7 | 0 | 0 | 112.4 | Q582 Q583 Q588 Q589 S590 | Q582-Q586 PolarHBondContact O-N 2.75Å; Q583-Q586 PolarHBondContact O-N 2.79Å; Q586-Q588 VanDerWaalsContact C-N 3.35Å; Q586-Q588 PolarHBondContact O-N 3.45Å; Q586-Q589 PolarHBondContact O-N 3.01Å; Q586-S590 PolarHBondContact O-N 2.87Å; Q586-S590 PolarHBondContact O-OG 2.8Å |
| 587 | Q | 83 | Confident | 78.7 | Confident | 116 Ų | 116 | 111.5 Ų | 111.5 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66 | -33.5 | 175.5 | -73.3 | -178.9 | -0.9 | 0 | 0 | 113.4 | Q583 Q584 Q585 S590 H591 | Q583-Q587 WeakPolarHBondContact O-CG 3.5Å; Q583-Q587 PolarHBondContact O-N 3.48Å; Q583-Q587 VanDerWaalsContact O-N 3.1Å; Q584-Q587 PolarHBondContact O-N 2.72Å; Q585-Q587 PolarHBondContact O-N 3.17Å; Q587-S590 PolarHBondContact O-OG 3.01Å; Q587-S590 VanDerWaalsContact O-OG 3.12Å; Q587-H591 PolarHBondContact O-N 3.13Å; Q587-H591 PolarHBondContact O-ND1 2.91Å |
| 588 | Q | 83 | Confident | 80.3 | Confident | 126 Ų | 126 | 114.4 Ų | 114.4 | 59% | 0.589 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.3 | -38.9 | 174.4 | -71 | 178.3 | 19.8 | 0 | 0 | 112.1 | Q584 Q585 Q586 H591 Q592 | Q584-Q588 WeakPolarHBondContact O-CG 3.36Å; Q584-Q588 PolarHBondContact O-N 3.23Å; Q585-Q588 PolarHBondContact O-N 3.3Å; Q586-Q588 VanDerWaalsContact C-N 3.35Å; Q586-Q588 PolarHBondContact O-N 3.45Å; Q588-H591 PolarHBondContact O-N 2.9Å; Q588-Q592 PolarHBondContact O-N 3.08Å |
| 589 | Q | 83.5 | Confident | 81.4 | Confident | 127 Ų | 127 | 115.4 Ų | 115.4 | 59% | 0.593 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.2 | -43.3 | 175.6 | -73.5 | 177.8 | 9.5 | 0 | 0 | 111.8 | Q585 Q586 H591 Q592 Q593 | Q585-Q589 WeakPolarHBondContact O-CG 3.4Å; Q585-Q589 PolarHBondContact O-N 2.83Å; Q586-Q589 PolarHBondContact O-N 3.01Å; Q589-H591 PolarHBondContact O-N 3.16Å; Q589-Q592 PolarHBondContact O-N 3.4Å; Q589-Q593 WeakPolarHBondContact O-CB 3.47Å; Q589-Q593 PolarHBondContact O-N 3.21Å |
| 590 | S | 82.1 | Confident | 82.2 | Confident | 66 Ų | 66 | 115.2 Ų | 115.2 | 46% | 0.462 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.6 | -37.6 | 176.7 | 65.8 | 0 | 0 | 0 | 0 | 112.5 | Q586 Q587 Q593 S594 | Q586-S590 PolarHBondContact O-N 2.87Å; Q586-S590 PolarHBondContact O-OG 2.8Å; Q587-S590 PolarHBondContact O-OG 3.01Å; Q587-S590 VanDerWaalsContact O-OG 3.12Å; S590-Q593 PolarHBondContact O-N 2.9Å; S590-S594 WeakPolarHBondContact O-CB 3.43Å; S590-S594 PolarHBondContact O-N 2.77Å |
| 591 | H | 86.1 | Confident | 82.7 | Confident | 126 Ų | 126 | 115.4 Ų | 115.4 | 58% | 0.583 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63 | -45.5 | 171.6 | -88.8 | 80.4 | 0 | 0 | 0 | 112.7 | Q587 Q588 Q589 Q593 S594 Q595 | Q587-H591 PolarHBondContact O-N 3.13Å; Q587-H591 PolarHBondContact O-ND1 2.91Å; Q588-H591 PolarHBondContact O-N 2.9Å; Q589-H591 PolarHBondContact O-N 3.16Å; H591-Q593 VanDerWaalsContact C-N 3.33Å; H591-Q593 PolarHBondContact O-N 3.4Å; H591-S594 PolarHBondContact O-N 2.95Å; H591-Q595 WeakPolarHBondContact O-CB 3.28Å; H591-Q595 WeakPolarHBondContact O-CG 3.35Å; H591-Q595 PolarHBondContact O-N 2.91Å |
| 592 | Q | 84.2 | Confident | 83.1 | Confident | 118 Ų | 118 | 118.1 Ų | 118.1 | 55% | 0.551 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.9 | -37.5 | 175.6 | -77 | -165.3 | 12.6 | 0 | 0 | 112.4 | Q588 Q589 Q595 K596 | Q588-Q592 PolarHBondContact O-N 3.08Å; Q589-Q592 PolarHBondContact O-N 3.4Å; Q592-Q595 PolarHBondContact O-N 3.09Å; Q592-K596 WeakPolarHBondContact O-CB 3.28Å; Q592-K596 WeakPolarHBondContact O-CG 3.42Å; Q592-K596 PolarHBondContact O-N 3.15Å |
| 593 | Q | 85.2 | Confident | 83.2 | Confident | 129 Ų | 129 | 114.4 Ų | 114.4 | 60% | 0.603 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.6 | -39 | 178.5 | -167.7 | 167 | 5.3 | 0 | 0 | 111.6 | Q589 S590 H591 K596 Q597 | Q589-Q593 WeakPolarHBondContact O-CB 3.47Å; Q589-Q593 PolarHBondContact O-N 3.21Å; S590-Q593 PolarHBondContact O-N 2.9Å; H591-Q593 VanDerWaalsContact C-N 3.33Å; H591-Q593 PolarHBondContact O-N 3.4Å; Q593-K596 PolarHBondContact O-N 3.44Å; Q593-Q597 WeakPolarHBondContact O-CB 3.3Å; Q593-Q597 WeakPolarHBondContact O-CG 3.41Å; Q593-Q597 PolarHBondContact O-N 2.81Å |
| 594 | S | 84.3 | Confident | 83.2 | Confident | 55 Ų | 55 | 112.8 Ų | 112.8 | 39% | 0.385 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.5 | -46.8 | 171.5 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | S590 H591 K596 Q597 Q598 | S590-S594 WeakPolarHBondContact O-CB 3.43Å; S590-S594 PolarHBondContact O-N 2.77Å; H591-S594 PolarHBondContact O-N 2.95Å; S594-K596 PolarHBondContact O-N 3.43Å; S594-Q597 PolarHBondContact O-N 2.87Å; S594-Q598 PolarHBondContact O-N 3.37Å |
| 595 | Q | 86.7 | Confident | 83.1 | Confident | 109 Ų | 109 | 109.3 Ų | 109.3 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 175.4 | -74.9 | -177.3 | -3 | 0 | 0 | 112.6 | H591 Q592 Q598 Q599 | H591-Q595 WeakPolarHBondContact O-CB 3.28Å; H591-Q595 WeakPolarHBondContact O-CG 3.35Å; H591-Q595 PolarHBondContact O-N 2.91Å; Q592-Q595 PolarHBondContact O-N 3.09Å; Q595-Q598 PolarHBondContact O-N 3.19Å; Q595-Q599 WeakPolarHBondContact O-CB 3.17Å; Q595-Q599 WeakPolarHBondContact O-CG 3.12Å; Q595-Q599 PolarHBondContact O-N 2.7Å |
| 596 | K | 85.1 | Confident | 82.8 | Confident | 142 Ų | 142 | 108.7 Ų | 108.7 | 62% | 0.617 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.8 | -38.8 | 173.7 | -78 | -179.8 | 178.3 | 179.3 | 0 | 112.2 | Q592 Q593 S594 H600 | Q592-K596 WeakPolarHBondContact O-CB 3.28Å; Q592-K596 WeakPolarHBondContact O-CG 3.42Å; Q592-K596 PolarHBondContact O-N 3.15Å; Q593-K596 PolarHBondContact O-N 3.44Å; S594-K596 PolarHBondContact O-N 3.43Å; K596-H600 VanDerWaalsContact O-CB 3.31Å; K596-H600 WeakPolarHBondContact O-CB 3.19Å; K596-H600 PolarHBondContact O-N 3.24Å |
| 597 | Q | 84.8 | Confident | 82.2 | Confident | 128 Ų | 128 | 105.3 Ų | 105.3 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.2 | -45.5 | 172.6 | -80 | -176.5 | -20.9 | 0 | 0 | 111.2 | Q593 S594 H600 L601 | Q593-Q597 WeakPolarHBondContact O-CB 3.3Å; Q593-Q597 WeakPolarHBondContact O-CG 3.41Å; Q593-Q597 PolarHBondContact O-N 2.81Å; S594-Q597 PolarHBondContact O-N 2.87Å; Q597-H600 PolarHBondContact O-N 2.95Å; Q597-L601 VanDerWaalsContact O-CB 3.32Å; Q597-L601 WeakPolarHBondContact O-CB 3.48Å; Q597-L601 PolarHBondContact O-N 2.88Å |
| 598 | Q | 83.9 | Confident | 81.1 | Confident | 133 Ų | 133 | 102.9 Ų | 102.9 | 62% | 0.621 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 175.8 | -74.3 | -175.8 | -15.6 | 0 | 0 | 112.5 | S594 Q595 H600 L601 L602 | S594-Q598 PolarHBondContact O-N 3.37Å; Q595-Q598 PolarHBondContact O-N 3.19Å; Q598-H600 VanDerWaalsContact C-N 3.34Å; Q598-H600 PolarHBondContact O-N 3.44Å; Q598-L601 PolarHBondContact O-N 3.36Å; Q598-L602 VanDerWaalsContact O-CB 3.31Å; Q598-L602 WeakPolarHBondContact O-CB 3.33Å; Q598-L602 PolarHBondContact O-N 3.43Å |
| 599 | Q | 83.2 | Confident | 79.8 | Confident | 136 Ų | 136 | 104.2 Ų | 104.2 | 64% | 0.636 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.9 | -39.3 | 174.7 | -73.7 | -178.5 | 27.9 | 0 | 0 | 112.1 | Q595 S603 | Q595-Q599 WeakPolarHBondContact O-CB 3.17Å; Q595-Q599 WeakPolarHBondContact O-CG 3.12Å; Q595-Q599 PolarHBondContact O-N 2.7Å; Q599-S603 WeakPolarHBondContact O-CB 3.49Å; Q599-S603 PolarHBondContact O-N 2.95Å; Q599-S603 PolarHBondContact O-OG 3.41Å |
| 600 | H | 84.2 | Confident | 78.6 | Confident | 124 Ų | 124 | 102 Ų | 102 | 57% | 0.574 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.5 | -44.4 | 176.6 | -172 | 41.5 | 0 | 0 | 0 | 111.6 | K596 Q597 Q598 L602 S603 V604 | K596-H600 VanDerWaalsContact O-CB 3.31Å; K596-H600 WeakPolarHBondContact O-CB 3.19Å; K596-H600 PolarHBondContact O-N 3.24Å; Q597-H600 PolarHBondContact O-N 2.95Å; Q598-H600 VanDerWaalsContact C-N 3.34Å; Q598-H600 PolarHBondContact O-N 3.44Å; H600-L602 VanDerWaalsContact C-N 3.32Å; H600-L602 PolarHBondContact O-N 3.41Å; H600-S603 WeakPolarHBondContact CA-OG 3.2Å; H600-S603 PolarHBondContact ND1-OG 3.15Å; H600-S603 CarbonylContact O-C 3.36Å; H600-S603 PolarHBondContact O-N 2.95Å; H600-S603 VanDerWaalsContact O-N 3.09Å; H600-S603 PolarHBondContact O-OG 2.81Å; H600-V604 WeakPolarHBondContact O-CG2 3.45Å; H600-V604 PolarHBondContact O-N 2.73Å |
| 601 | L | 82 | Confident | 77 | Confident | 128 Ų | 128 | 103.9 Ų | 103.9 | 67% | 0.67 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.4 | -38.3 | 177.9 | -140.8 | 153.9 | 0 | 0 | 0 | 111.1 | Q597 Q598 V604 A605 | Q597-L601 VanDerWaalsContact O-CB 3.32Å; Q597-L601 WeakPolarHBondContact O-CB 3.48Å; Q597-L601 PolarHBondContact O-N 2.88Å; Q598-L601 PolarHBondContact O-N 3.36Å; L601-V604 PolarHBondContact O-N 2.67Å; L601-A605 VanDerWaalsContact O-CB 3.31Å; L601-A605 WeakPolarHBondContact O-CB 3.47Å; L601-A605 PolarHBondContact O-N 3Å |
| 602 | L | 84.4 | Confident | 75.3 | Confident | 108 Ų | 108 | 103.5 Ų | 103.5 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.5 | -41.1 | 171.1 | -166.9 | 70.7 | 0 | 0 | 0 | 111.9 | Q598 H600 A605 M606 | Q598-L602 VanDerWaalsContact O-CB 3.31Å; Q598-L602 WeakPolarHBondContact O-CB 3.33Å; Q598-L602 PolarHBondContact O-N 3.43Å; H600-L602 VanDerWaalsContact C-N 3.32Å; H600-L602 PolarHBondContact O-N 3.41Å; L602-A605 PolarHBondContact O-N 3.1Å; L602-M606 HydrophobicContact CG-CE 4.17Å; L602-M606 WeakPolarHBondContact O-CB 3.38Å; L602-M606 WeakPolarHBondContact O-CG 3.34Å; L602-M606 PolarHBondContact O-N 3.44Å |
| 603 | S | 80.7 | Confident | 73.5 | Confident | 53 Ų | 53 | 101.3 Ų | 101.3 | 37% | 0.371 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.4 | -37.9 | 176 | 75.1 | 0 | 0 | 0 | 0 | 112.7 | Q599 H600 A607 | Q599-S603 WeakPolarHBondContact O-CB 3.49Å; Q599-S603 PolarHBondContact O-N 2.95Å; Q599-S603 PolarHBondContact O-OG 3.41Å; H600-S603 WeakPolarHBondContact CA-OG 3.2Å; H600-S603 PolarHBondContact ND1-OG 3.15Å; H600-S603 CarbonylContact O-C 3.36Å; H600-S603 PolarHBondContact O-N 2.95Å; H600-S603 VanDerWaalsContact O-N 3.09Å; H600-S603 PolarHBondContact O-OG 2.81Å; S603-A607 VanDerWaalsContact O-CB 3.3Å; S603-A607 WeakPolarHBondContact O-CB 3.47Å; S603-A607 PolarHBondContact O-N 3.08Å |
| 604 | V | 79.9 | Confident | 71.5 | Confident | 77 Ų | 77 | 103.3 Ų | 103.3 | 47% | 0.467 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72.1 | -38.6 | 176.4 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | H600 L601 A607 A608 | H600-V604 WeakPolarHBondContact O-CG2 3.45Å; H600-V604 PolarHBondContact O-N 2.73Å; L601-V604 PolarHBondContact O-N 2.67Å; V604-A607 PolarHBondContact O-N 3.25Å; V604-A608 VanDerWaalsContact O-CB 3.27Å; V604-A608 WeakPolarHBondContact O-CB 3.4Å; V604-A608 PolarHBondContact O-N 2.66Å |
| 605 | A | 74.7 | Confident | 69.1 | Low | 40 Ų | 40 | 109.6 Ų | 109.6 | 33% | 0.331 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.3 | -45.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L601 L602 A608 M609 | L601-A605 VanDerWaalsContact O-CB 3.31Å; L601-A605 WeakPolarHBondContact O-CB 3.47Å; L601-A605 PolarHBondContact O-N 3Å; L602-A605 PolarHBondContact O-N 3.1Å; A605-A608 PolarHBondContact O-N 3.45Å; A605-M609 WeakPolarHBondContact O-CB 3.45Å; A605-M609 WeakPolarHBondContact O-CG 3.32Å; A605-M609 PolarHBondContact O-N 3.27Å |
| 606 | M | 75.8 | Confident | 66.8 | Low | 107 Ų | 107 | 108 Ų | 108 | 53% | 0.527 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.2 | -39.7 | 175.4 | -70.6 | -174.2 | -62.5 | 0 | 0 | 112.3 | L602 M609 A610 | L602-M606 HydrophobicContact CG-CE 4.17Å; L602-M606 WeakPolarHBondContact O-CB 3.38Å; L602-M606 WeakPolarHBondContact O-CG 3.34Å; L602-M606 PolarHBondContact O-N 3.44Å; M606-M609 HydrophobicContact CG-CE 4.14Å; M606-M609 PolarHBondContact O-N 3.45Å; M606-A610 WeakPolarHBondContact O-CB 3.39Å; M606-A610 PolarHBondContact O-N 3.02Å |
| 607 | A | 69 | Low | 64.4 | Low | 64 Ų | 64 | 106.7 Ų | 106.7 | 53% | 0.529 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.3 | -35 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S603 V604 A610 N611 | S603-A607 VanDerWaalsContact O-CB 3.3Å; S603-A607 WeakPolarHBondContact O-CB 3.47Å; S603-A607 PolarHBondContact O-N 3.08Å; V604-A607 PolarHBondContact O-N 3.25Å; A607-A610 PolarHBondContact O-N 3.44Å; A607-N611 PolarHBondContact O-N 3.04Å |
| 608 | A | 61.1 | Low | 62.2 | Low | 65 Ų | 65 | 107.2 Ų | 107.2 | 54% | 0.537 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.7 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V604 A605 A610 N611 | V604-A608 VanDerWaalsContact O-CB 3.27Å; V604-A608 WeakPolarHBondContact O-CB 3.4Å; V604-A608 PolarHBondContact O-N 2.66Å; A605-A608 PolarHBondContact O-N 3.45Å; A608-A610 PolarHBondContact O-N 3.37Å; A608-N611 PolarHBondContact O-N 3.49Å |
| 609 | M | 55.4 | Low | 60 | Low | 154 Ų | 154 | 110.5 Ų | 110.5 | 76% | 0.759 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.5 | -22.1 | 172.7 | -69.7 | -174.7 | -64.2 | 0 | 0 | 113 | A605 M606 | A605-M609 WeakPolarHBondContact O-CB 3.45Å; A605-M609 WeakPolarHBondContact O-CG 3.32Å; A605-M609 PolarHBondContact O-N 3.27Å; M606-M609 HydrophobicContact CG-CE 4.14Å; M606-M609 PolarHBondContact O-N 3.45Å |
| 610 | A | 57.1 | Low | 57.9 | Low | 80 Ų | 80 | 109.3 Ų | 109.3 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 2.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M606 A607 A608 P612 | M606-A610 WeakPolarHBondContact O-CB 3.39Å; M606-A610 PolarHBondContact O-N 3.02Å; A607-A610 PolarHBondContact O-N 3.44Å; A608-A610 PolarHBondContact O-N 3.37Å; A610-P612 WeakPolarHBondContact O-CD 3.49Å |
| 611 | N | 48.5 | Very low | 55.9 | Low | 105 Ų | 105 | 109.5 Ų | 109.5 | 56% | 0.561 | 66% | 0.657 | S | S | * | * | trans | -100.7 | 108.9 | -177.4 | -169.2 | -4.4 | 0 | 0 | 0 | 111.4 | A607 A608 A613 | A607-N611 PolarHBondContact O-N 3.04Å; A608-N611 PolarHBondContact O-N 3.49Å; N611-A613 PolarHBondContact O-N 3.19Å | ||
| 612 | P | 50.7 | Low | 53.8 | Low | 119 Ų | 119 | 110.8 Ų | 110.8 | 77% | 0.773 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 21.9 | -170.5 | 32.8 | -37.9 | 0 | 0 | 0 | 114.9 | A610 | A610-P612 WeakPolarHBondContact O-CD 3.49Š|
| 613 | A | 47.2 | Very low | 51.7 | Low | 71 Ų | 71 | 109.2 Ų | 109.2 | 59% | 0.587 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | N611 | N611-A613 PolarHBondContact O-N 3.19Š|
| 614 | L | 42.4 | Very low | 49.5 | Very low | 171 Ų | 171 | 113 Ų | 113 | 90% | 0.895 | 69% | 0.689 | S | S | * | * | trans | -129.6 | 53.8 | 177.7 | -74.2 | 177.1 | 0 | 0 | 0 | 113.2 | G616 | L614-G616 PolarHBondContact O-N 2.85Š| ||
| 615 | Q | 34.6 | Very low | 47.5 | Very low | 188 Ų | 188 | 115.5 Ų | 115.5 | 88% | 0.879 | 70% | 0.699 | S | S | * | * | trans | -75.4 | 114.4 | 158.8 | -66.5 | 177.4 | -17.6 | 0 | 0 | 108.6 | ||||
| 616 | G | 37.5 | Very low | 45.6 | Very low | 75 Ų | 75 | 120.5 Ų | 120.5 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | 160.5 | -7.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | L614 | L614-G616 PolarHBondContact O-N 2.85Š| ||
| 617 | C | 34.7 | Very low | 44 | Very low | 115 Ų | 115 | 121 Ų | 121 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | trans | -117.6 | 114.8 | -178.3 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | Y619 | C617-Y619 HydrophobicContact CB-CE2 4.42Š| ||
| 618 | V | 38.2 | Very low | 42.4 | Very low | 138 Ų | 138 | 122.4 Ų | 122.4 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | trans | -78.4 | 132.4 | 174.5 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 619 | Y | 37.9 | Very low | 41.1 | Very low | 202 Ų | 202 | 127 Ų | 127 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | trans | -131 | 148.2 | 163.9 | -83.2 | -80.1 | 0 | 0 | 0 | 110.3 | C617 | C617-Y619 HydrophobicContact CB-CE2 4.42Š| ||
| 620 | P | 40.3 | Very low | 40.2 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | trans | -80.4 | 166.4 | -160.1 | 32 | -36.7 | 0 | 0 | 0 | 114.4 | ||||
| 621 | T | 40.9 | Very low | 39.2 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -67.9 | 162.8 | 178 | 44.4 | 0 | 0 | 0 | 0 | 113.1 | A623 | T621-A623 PolarHBondContact O-N 3.33Š| ||
| 622 | T | 37.8 | Very low | 38.7 | Very low | 155 Ų | 155 | 124 Ų | 124 | 95% | 0.951 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 90.8 | -174.4 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 623 | A | 40.7 | Very low | 37.8 | Very low | 75 Ų | 75 | 127 Ų | 127 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | -43.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T621 L625 | T621-A623 PolarHBondContact O-N 3.33Å; A623-L625 PolarHBondContact O-N 3.49Å |
| 624 | D | 35.9 | Very low | 37.5 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 16.5 | -162.4 | -71.6 | -61.6 | 0 | 0 | 0 | 117.3 | ||
| 625 | L | 36.8 | Very low | 37.2 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 68% | 0.681 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -5.3 | -176.5 | -80.8 | 169.1 | 0 | 0 | 0 | 115.9 | A623 T627 | A623-L625 PolarHBondContact O-N 3.49Å; L625-T627 VanDerWaalsContact C-N 3.27Å; L625-T627 PolarHBondContact O-N 2.88Å |
| 626 | N | 35.5 | Very low | 37.2 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -7.5 | -176.5 | -155.3 | 19.4 | 0 | 0 | 0 | 114.3 | ||
| 627 | T | 40.9 | Very low | 37.2 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -17.5 | -178.8 | 38.6 | 0 | 0 | 0 | 0 | 114.2 | L625 | L625-T627 VanDerWaalsContact C-N 3.27Å; L625-T627 PolarHBondContact O-N 2.88Å |
| 628 | T | 35.5 | Very low | 37.1 | Very low | 92 Ų | 92 | 133 Ų | 133 | 56% | 0.564 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -33.8 | -179 | -55.4 | 0 | 0 | 0 | 0 | 112.8 | N630 | T628-N630 VanDerWaalsContact C-N 3.28Å; T628-N630 PolarHBondContact O-N 3.43Å |
| 629 | F | 33.8 | Very low | 36.8 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -68.5 | -23.9 | -177.4 | -112.2 | -93.6 | 0 | 0 | 0 | 114.2 | ||
| 630 | N | 36.7 | Very low | 36.7 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -81.4 | -14.2 | -175.2 | -134.2 | -9.2 | 0 | 0 | 0 | 113.7 | T628 | T628-N630 VanDerWaalsContact C-N 3.28Å; T628-N630 PolarHBondContact O-N 3.43Å |
| 631 | A | 35.8 | Very low | 36.3 | Very low | 63 Ų | 63 | 131.7 Ų | 131.7 | 52% | 0.521 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -80.9 | -29.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N635 | A631-N635 PolarHBondContact O-ND2 3.31Å |
| 632 | T | 38.2 | Very low | 35.8 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 58% | 0.583 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -85.5 | -34.3 | -174.7 | -49 | 0 | 0 | 0 | 0 | 112.4 | H634 N635 | T632-H634 VanDerWaalsContact C-N 3.35Å; T632-H634 PolarHBondContact O-N 3.01Å; T632-N635 PolarHBondContact O-N 3.42Å |
| 633 | Y | 32.7 | Very low | 35.5 | Very low | 182 Ų | 182 | 130.4 Ų | 130.4 | 71% | 0.714 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -71.4 | -26.8 | -173.4 | -130.9 | -94.3 | 0 | 0 | 0 | 113.8 | N635 | Y633-N635 VanDerWaalsContact C-N 3.34Å; Y633-N635 PolarHBondContact O-N 3.4Å |
| 634 | H | 40.8 | Very low | 35.1 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -11.3 | 179.7 | -111.3 | -75 | 0 | 0 | 0 | 114.9 | T632 | T632-H634 VanDerWaalsContact C-N 3.35Å; T632-H634 PolarHBondContact O-N 3.01Å |
| 635 | N | 36.6 | Very low | 34.9 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 67% | 0.668 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -12.1 | -179.2 | -79.2 | -68.7 | 0 | 0 | 0 | 114.1 | A631 T632 Y633 | A631-N635 PolarHBondContact O-ND2 3.31Å; T632-N635 PolarHBondContact O-N 3.42Å; Y633-N635 VanDerWaalsContact C-N 3.34Å; Y633-N635 PolarHBondContact O-N 3.4Å |
| 636 | F | 33.4 | Very low | 34.8 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 74% | 0.737 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -93.5 | 0.6 | -174.8 | -110.7 | -85.5 | 0 | 0 | 0 | 115.6 | ||
| 637 | L | 38.6 | Very low | 34.6 | Very low | 154 Ų | 154 | 133 Ų | 133 | 81% | 0.806 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -114.5 | 5.9 | 179.9 | -69.3 | 174.3 | 0 | 0 | 0 | 114.3 | ||
| 638 | N | 33 | Very low | 34.1 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -116.9 | 14.6 | -175.1 | -103.3 | -13.7 | 0 | 0 | 0 | 114.4 | ||
| 639 | S | 30.9 | Very low | 33.8 | Very low | 83 Ų | 83 | 137 Ų | 137 | 58% | 0.58 | 73% | 0.731 | S | S | * | * | trans | -105 | 17.9 | -170 | 50.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 640 | H | 36.6 | Very low | 33.8 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -131.1 | 52.8 | 177.3 | -86 | -60.5 | 0 | 0 | 0 | 114.1 | ||
| 641 | N | 31.5 | Very low | 33.7 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | -157.2 | 117.2 | 152.9 | -125.7 | -22.8 | 0 | 0 | 0 | 112.7 | ||||
| 642 | S | 30 | Very low | 33.5 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -169.6 | 100.4 | 169.4 | -84.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 643 | T | 32.1 | Very low | 33.3 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -156.5 | 118.4 | 139.3 | -72.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 644 | T | 31.7 | Very low | 33.4 | Very low | 122 Ų | 122 | 137 Ų | 137 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -63.4 | 165.8 | -175.4 | -46.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 645 | I | 32.6 | Very low | 32.8 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 80% | 0.795 | 76% | 0.755 | S | S | * | * | trans | 148.6 | 127.8 | 133.5 | -76.3 | 154.1 | 0 | 0 | 0 | 112 | ||||
| 646 | P | 34.6 | Very low | 32.8 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | cis | -138.1 | 177.6 | -37.5 | 42.7 | -24.4 | 0 | 0 | 0 | 114.9 | ||||
| 647 | I | 30.6 | Very low | 32.9 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -29.4 | 136.3 | 165.3 | -59.3 | 147.9 | 0 | 0 | 0 | 117.9 | T649 | I647-T649 HydrophobicContact CG2-CG2 4.45Š| ||
| 648 | Q | 30.6 | Very low | 32.9 | Very low | 189 Ų | 189 | 129.1 Ų | 129.1 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | -144.1 | 148.2 | 123.8 | -167.3 | 154.7 | -15.1 | 0 | 0 | 110.6 | |||||
| 649 | T | 29.9 | Very low | 33.3 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 63% | 0.632 | 76% | 0.755 | S | S | * | * | trans | -91.1 | 157.7 | -174 | 54.8 | 0 | 0 | 0 | 0 | 112 | I647 | I647-T649 HydrophobicContact CG2-CG2 4.45Š| ||
| 650 | D | 32.2 | Very low | 33.9 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | -165.2 | 170.2 | 87.8 | -84.6 | -13.1 | 0 | 0 | 0 | 113.4 | |||||
| 651 | P | 35.8 | Very low | 34 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | -123.9 | -163.7 | -161.4 | 34.6 | -14.5 | 0 | 0 | 0 | 115.4 | ||||
| 652 | I | 31.2 | Very low | 34.1 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 82% | 0.821 | 75% | 0.754 | S | S | * | * | trans | 99.8 | 129.7 | 162.3 | -53.6 | 156.8 | 0 | 0 | 0 | 116.8 | ||||
| 653 | G | 34.9 | Very low | 34.5 | Very low | 62 Ų | 62 | 130.1 Ų | 130.1 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | trans | 128.3 | 90 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 654 | N | 33.6 | Very low | 34.6 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | 70.9 | 136.3 | 66.8 | -65.3 | 4.9 | 0 | 0 | 0 | 113.2 | |||||
| 655 | C | 29.4 | Very low | 34.9 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | cis | -173.7 | 163.6 | 1.9 | -122.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 656 | L | 35.7 | Very low | 34.9 | Very low | 150 Ų | 150 | 130 Ų | 130 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 66.7 | 157.8 | 153.7 | -56.5 | 157.3 | 0 | 0 | 0 | 116.7 | ||||
| 657 | T | 36.4 | Very low | 35 | Very low | 127 Ų | 127 | 128 Ų | 128 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | cis | -165.3 | 154.2 | -16.5 | 20.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 658 | G | 37.7 | Very low | 35.3 | Very low | 58 Ų | 58 | 126.9 Ų | 126.9 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | cis | 170 | 178.5 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 659 | T | 41.2 | Very low | 35.6 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | trans | 80.1 | 150.4 | 143.9 | 58 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 660 | P | 43.8 | Very low | 35.9 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | -140.8 | -143.8 | -93.3 | 36.9 | -11.3 | 0 | 0 | 0 | 113.9 | |||||
| 661 | E | 38.5 | Very low | 36 | Very low | 173 Ų | 173 | 125.5 Ų | 125.5 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | trans | 84.5 | 138 | 170.9 | -66.4 | -170.4 | -148.7 | 0 | 0 | 117.6 | ||||
| 662 | N | 34.1 | Very low | 35.9 | Very low | 137 Ų | 137 | 127.3 Ų | 127.3 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | cis | -161.7 | 178.2 | -18.5 | -161.1 | -10.4 | 0 | 0 | 0 | 109.9 | ||||
| 663 | I | 38.9 | Very low | 36.2 | Very low | 155 Ų | 155 | 127.7 Ų | 127.7 | 80% | 0.795 | 74% | 0.737 | S | S | * | * | trans | 94.3 | 97.8 | 166.3 | -52.6 | 170.6 | 0 | 0 | 0 | 116.2 | ||||
| 664 | T | 34 | Very low | 36.6 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 69% | 0.693 | 74% | 0.74 | S | S | * | * | trans | -86.1 | 165.1 | 167.2 | 45.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 665 | L | 37.5 | Very low | 36.8 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | -175.4 | 107.5 | 121.6 | -99 | 166.3 | 0 | 0 | 0 | 115.5 | |||||
| 666 | N | 32.5 | Very low | 37 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | 24 | 134.6 | 141.7 | -56 | -10.6 | 0 | 0 | 0 | 124.5 | ||||
| 667 | G | 37.5 | Very low | 37.1 | Very low | 65 Ų | 65 | 133.5 Ų | 133.5 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | trans | 159.7 | 128.5 | 138 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 668 | T | 36.4 | Very low | 37.1 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | cis | 109.1 | 122.3 | 19.8 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 669 | I | 36.2 | Very low | 37 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 68% | 0.677 | 75% | 0.752 | S | S | * | * | cis | -157.7 | 179.1 | -8.7 | -18.3 | 165.7 | 0 | 0 | 0 | 109.6 | ||||
| 670 | Y | 36.5 | Very low | 36.8 | Very low | 210 Ų | 210 | 140.2 Ų | 140.2 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | 83.1 | 156.9 | 161.2 | -60.6 | -66.7 | 0 | 0 | 0 | 120.7 | ||||
| 671 | A | 34.1 | Very low | 36.4 | Very low | 68 Ų | 68 | 141.9 Ų | 141.9 | 56% | 0.562 | 75% | 0.746 | S | S | * | * | cis | 178.2 | 171.6 | -44.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 672 | N | 34 | Very low | 36.1 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | trans | 72.5 | 146.5 | 160.1 | -57.8 | -15.8 | 0 | 0 | 0 | 117.9 | ||||
| 673 | H | 38.5 | Very low | 36.1 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | cis | -160.6 | 150.6 | -21.9 | -134.9 | -91.4 | 0 | 0 | 0 | 108.9 | ||||
| 674 | P | 42.6 | Very low | 36 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | trans | -99.5 | 173.5 | 179.2 | 38.2 | -36.4 | 0 | 0 | 0 | 114.4 | ||||
| 675 | H | 37.7 | Very low | 36.1 | Very low | 191 Ų | 191 | 140.7 Ų | 140.7 | 88% | 0.884 | 73% | 0.733 | S | S | * | * | trans | -144.6 | 158.6 | 167.2 | -133.3 | -87.7 | 0 | 0 | 0 | 114.4 | ||||
| 676 | Q | 34.2 | Very low | 36 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 77% | 0.771 | 72% | 0.72 | S | S | * | * | trans | -120.3 | 154.6 | -168.5 | -54.7 | 170.2 | -17 | 0 | 0 | 114 | ||||
| 677 | S | 36.3 | Very low | 36.1 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | trans | -178.7 | 123.6 | 134.5 | 38.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 678 | Q | 36.6 | Very low | 36 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 73% | 0.729 | 72% | 0.723 | S | S | * | * | 70.5 | 141.2 | 80.5 | -69.2 | -168.5 | 31.2 | 0 | 0 | 115 | |||||
| 679 | Q | 35.5 | Very low | 36.2 | Very low | 143 Ų | 143 | 142 Ų | 142 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | cis | -170.5 | -174.4 | -12.7 | -117.2 | -177.5 | 31.9 | 0 | 0 | 110.1 | ||||
| 680 | Q | 36.7 | Very low | 36.3 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | trans | 88.5 | 145.9 | 158.3 | -56.7 | -169.7 | 13.1 | 0 | 0 | 120.6 | ||||
| 681 | Q | 35.9 | Very low | 36.3 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | cis | -171.1 | 129.3 | -40.2 | -121.8 | -177.2 | 2.6 | 0 | 0 | 113.4 | ||||
| 682 | T | 31.6 | Very low | 36.6 | Very low | 111 Ų | 111 | 139 Ų | 139 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | trans | 63.6 | 170.6 | 146 | 62.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 683 | Q | 34.5 | Very low | 37 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | cis | -162.6 | 167.9 | 11.5 | -149.2 | 176.4 | 96.2 | 0 | 0 | 114.5 | ||||
| 684 | Q | 36.5 | Very low | 37.1 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | trans | 77.8 | 152 | 158.9 | -49.7 | -155.3 | 6.1 | 0 | 0 | 119 | ||||
| 685 | Q | 36 | Very low | 37.1 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | cis | -175.2 | 165.5 | -23.3 | -95.1 | -146.9 | 92.3 | 0 | 0 | 106.9 | ||||
| 686 | S | 35.3 | Very low | 37.3 | Very low | 78 Ų | 78 | 132.1 Ų | 132.1 | 55% | 0.545 | 73% | 0.731 | S | S | . | * | cis | -172.8 | -178.7 | -19.7 | -87.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 687 | N | 35.3 | Very low | 37.4 | Very low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | trans | 84.1 | 114.2 | 165.1 | -55.7 | -10.3 | 0 | 0 | 0 | 117.8 | ||||
| 688 | L | 36.3 | Very low | 37.4 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | 83.2 | 130.6 | 54.8 | -69.3 | 168.5 | 0 | 0 | 0 | 112.3 | |||||
| 689 | L | 40 | Very low | 37.4 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | cis | -143.9 | 176.4 | 16.5 | -91.2 | 123.5 | 0 | 0 | 0 | 113.6 | ||||
| 690 | P | 38.8 | Very low | 37.4 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | trans | -129.7 | 175.1 | -160.5 | 43.8 | -30.2 | 0 | 0 | 0 | 119.3 | ||||
| 691 | S | 35.9 | Very low | 37.3 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | trans | 68.6 | 132.4 | 141.9 | 65.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 692 | T | 40.3 | Very low | 37.6 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | -167.9 | 152.6 | 119.1 | 14.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 693 | P | 41.8 | Very low | 37.6 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -127.9 | -179 | -178.7 | 41.2 | -26.2 | 0 | 0 | 0 | 114.8 | ||||
| 694 | I | 40.5 | Very low | 37.6 | Very low | 162 Ų | 162 | 126.4 Ų | 126.4 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | trans | 166.1 | 152.1 | 134.8 | -88.6 | 160.8 | 0 | 0 | 0 | 112.7 | ||||
| 695 | P | 43.3 | Very low | 37.5 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -131.6 | -176.4 | -162.3 | 43.7 | -27.3 | 0 | 0 | 0 | 117.1 | ||||
| 696 | G | 41.8 | Very low | 37.4 | Very low | 69 Ų | 69 | 125.9 Ų | 125.9 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | 160.7 | 162.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 697 | S | 37 | Very low | 37.3 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | cis | -179.6 | 158.2 | -18.8 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 698 | I | 35.1 | Very low | 37.3 | Very low | 153 Ų | 153 | 126.3 Ų | 126.3 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 67.9 | 147.3 | 151.9 | -72.9 | 164.1 | 0 | 0 | 0 | 117.2 | ||||
| 699 | T | 37.5 | Very low | 37.3 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | cis | -166.8 | 175.1 | -21.4 | 36.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 700 | H | 35.1 | Very low | 36.9 | Very low | 168 Ų | 168 | 128.2 Ų | 128.2 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | cis | 175.7 | 167.4 | -38.2 | -169.9 | 40.9 | 0 | 0 | 0 | 108.8 | ||||
| 701 | I | 34.6 | Very low | 37 | Very low | 139 Ų | 139 | 127.7 Ų | 127.7 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | 74.9 | 147.7 | 168.9 | -53.4 | -169.8 | 0 | 0 | 0 | 117.7 | ||||
| 702 | P | 42.5 | Very low | 37 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | -125.2 | -140.5 | -169.5 | 45 | -26.6 | 0 | 0 | 0 | 113.8 | ||||
| 703 | D | 30.7 | Very low | 36.7 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | 99 | 153.2 | 159.9 | -86.1 | -55.3 | 0 | 0 | 0 | 122.1 | ||||
| 704 | A | 34.3 | Very low | 36.5 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | 85.9 | 116.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 705 | L | 36.2 | Very low | 36 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | 70.8 | 131.1 | 131.6 | -66.3 | 173.1 | 0 | 0 | 0 | 119.7 | ||||
| 706 | N | 33.6 | Very low | 35.6 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | cis | 174.5 | 161.3 | 13.6 | -176.4 | 16.4 | 0 | 0 | 0 | 110.1 | ||||
| 707 | N | 33.3 | Very low | 35 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 66% | 0.658 | 75% | 0.753 | S | S | * | * | trans | 65 | 118.2 | 152.5 | -92.6 | -29.4 | 0 | 0 | 0 | 123.2 | ||||
| 708 | S | 33.8 | Very low | 34.5 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | 60 | 140 | 118.5 | -58.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 709 | S | 36.9 | Very low | 34.4 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | cis | -164.7 | 153.4 | 1.7 | 38.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 710 | R | 31.6 | Very low | 34.1 | Very low | 232 Ų | 232 | 143.5 Ų | 143.5 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | trans | -81.2 | -178.7 | 165.6 | -127.7 | -176.9 | 158.1 | -165.1 | -7.8 | 109.7 | ||||
| 711 | P | 41.5 | Very low | 34.2 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 59% | 0.591 | 77% | 0.766 | S | S | * | * | cis | -138.8 | -175.4 | -5.3 | 42 | -23.1 | 0 | 0 | 0 | 116.3 | ||||
| 712 | E | 35.2 | Very low | 33.9 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | 59.1 | 158 | 147.7 | -82.5 | 169.5 | -145.9 | 0 | 0 | 120.4 | ||||
| 713 | S | 33.9 | Very low | 33.4 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | cis | -151.2 | 160.6 | -12.5 | 48 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 714 | G | 37.7 | Very low | 33.6 | Very low | 76 Ų | 76 | 141.5 Ų | 141.5 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | trans | -175.9 | 124 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 715 | L | 31.1 | Very low | 33.4 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -73.4 | 150.5 | 171 | -61.2 | 162 | 0 | 0 | 0 | 110 | ||||
| 716 | Y | 34.3 | Very low | 33.3 | Very low | 225 Ų | 225 | 145.9 Ų | 145.9 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | -179.2 | 146.5 | 110.7 | -97.4 | -65 | 0 | 0 | 0 | 114.8 | |||||
| 717 | Q | 28.8 | Very low | 33.2 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -31.8 | 140.1 | 167.7 | -154.5 | 72.5 | -5.5 | 0 | 0 | 117.3 | ||||
| 718 | W | 26.5 | Very low | 33.1 | Very low | 217 Ų | 217 | 148.4 Ų | 148.4 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | 4.6 | 131.6 | 148.2 | -53.7 | 61.4 | 0 | 0 | 0 | 118.9 | ||||
| 719 | L | 32.7 | Very low | 33.2 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | -163.7 | 163.2 | 117.7 | -131 | 69.1 | 0 | 0 | 0 | 114 | |||||
| 720 | I | 32.3 | Very low | 33.1 | Very low | 146 Ų | 146 | 149 Ų | 149 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -76.4 | 126.7 | 178.3 | -62.1 | 159.6 | 0 | 0 | 0 | 110.2 | S722 | I720-S722 PolarHBondContact O-N 3.47Š| ||
| 721 | P | 36.2 | Very low | 33.3 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -78.4 | 84.5 | 171.9 | -9.1 | 26.4 | 0 | 0 | 0 | 111.2 | ||||
| 722 | S | 30 | Very low | 33 | Very low | 73 Ų | 73 | 149 Ų | 149 | 51% | 0.51 | 79% | 0.788 | S | S | . | * | trans | -90.3 | 155.9 | 152.8 | -71.3 | 0 | 0 | 0 | 0 | 109.8 | I720 | I720-S722 PolarHBondContact O-N 3.47Š| ||
| 723 | H | 32 | Very low | 33.1 | Very low | 168 Ų | 168 | 146.3 Ų | 146.3 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | trans | 64.6 | 101.1 | 171.4 | -24.4 | -73.1 | 0 | 0 | 0 | 116.6 | ||||
| 724 | L | 33.2 | Very low | 33 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | -144.2 | 82 | 141.5 | -121.3 | 175.6 | 0 | 0 | 0 | 109.9 | K726 | L724-K726 PolarHBondContact O-N 3.17Š| ||
| 725 | L | 31.5 | Very low | 33 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -65.8 | 119.7 | 171.5 | -79.2 | 77.3 | 0 | 0 | 0 | 108.7 | ||||
| 726 | K | 33 | Very low | 33.3 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | trans | -110.6 | 80.7 | 163 | -136.9 | 74.9 | 178.4 | -174.7 | 0 | 109.4 | L724 N728 | L724-K726 PolarHBondContact O-N 3.17Å; K726-N728 PolarHBondContact O-N 3.25Å | ||
| 727 | T | 31.4 | Very low | 33.4 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | 24.2 | 97 | 149.8 | 54.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 728 | N | 31.7 | Very low | 33.7 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | trans | -118 | 131.4 | 144.1 | -166.1 | 3.2 | 0 | 0 | 0 | 107 | K726 | K726-N728 PolarHBondContact O-N 3.25Š| ||
| 729 | S | 36.3 | Very low | 34.2 | Very low | 91 Ų | 91 | 138.5 Ų | 138.5 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -121.5 | 153.1 | -163 | -167 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 730 | N | 34.5 | Very low | 34.2 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 92.6 | 104.7 | 167.2 | -50.8 | -10.1 | 0 | 0 | 0 | 116.1 | ||||
| 731 | N | 34.7 | Very low | 34.4 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 95% | 0.952 | 77% | 0.767 | S | S | * | * | trans | -132.7 | 128.5 | 130.9 | -104.2 | -38.6 | 0 | 0 | 0 | 106.9 | ||||
| 732 | N | 36 | Very low | 34.4 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | -131.5 | 133.9 | -175.1 | 176.4 | 17.5 | 0 | 0 | 0 | 109.2 | ||||
| 733 | S | 36.7 | Very low | 34.6 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -160.8 | 101.8 | 159 | -85.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 734 | N | 32.7 | Very low | 34.8 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | 70 | 110.5 | 128.3 | -165.3 | 11.1 | 0 | 0 | 0 | 120.3 | N736 | N734-N736 PolarHBondContact OD1-N 3.31Š| |||
| 735 | A | 37.1 | Very low | 34.9 | Very low | 96 Ų | 96 | 137 Ų | 137 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | -146.8 | 105.9 | 132.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 736 | N | 37 | Very low | 35 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 32.1 | 111.2 | 157.5 | -65.7 | -8 | 0 | 0 | 0 | 117.8 | N734 | N734-N736 PolarHBondContact OD1-N 3.31Š| ||
| 737 | N | 36.3 | Very low | 35 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | -170.2 | 145 | 68.1 | -90.8 | -43.8 | 0 | 0 | 0 | 113.8 | |||||
| 738 | N | 35.3 | Very low | 35.3 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | 61.6 | 136.9 | 154.9 | -72.1 | -14.6 | 0 | 0 | 0 | 122.1 | ||||
| 739 | T | 37.4 | Very low | 35.5 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | 71.9 | 86.5 | 158.5 | 48.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 740 | N | 33.3 | Very low | 35.3 | Very low | 137 Ų | 137 | 131 Ų | 131 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 88.6 | 115.6 | 131.3 | -55.8 | -3.7 | 0 | 0 | 0 | 120.2 | ||||
| 741 | N | 35.7 | Very low | 35.4 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | 74.9 | 80 | 154.7 | -43.5 | -9.3 | 0 | 0 | 0 | 115.7 | ||||
| 742 | D | 36.8 | Very low | 35.2 | Very low | 150 Ų | 150 | 126 Ų | 126 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | 74 | 144 | 84.3 | -75.3 | -75.4 | 0 | 0 | 0 | 115.7 | |||||
| 743 | C | 34.2 | Very low | 35 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 68% | 0.676 | 76% | 0.762 | S | S | * | * | cis | -149.1 | 153.1 | 3.5 | -126.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 744 | H | 35.4 | Very low | 34.6 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | 57.4 | 126.2 | 90.3 | -143.2 | -144.4 | 0 | 0 | 0 | 114.8 | |||||
| 745 | V | 35.6 | Very low | 34.6 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | cis | -163.1 | 162.2 | 46.8 | 170.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 746 | T | 33.5 | Very low | 34.2 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | cis | 177.9 | 159.8 | -27.8 | -69.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 747 | I | 34.5 | Very low | 34.2 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -70.8 | 179 | -176.8 | 2.9 | 174.4 | 0 | 0 | 0 | 115 | ||||
| 748 | P | 37.4 | Very low | 34.2 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | cis | -147.2 | -149.7 | 45 | 42.6 | -17.8 | 0 | 0 | 0 | 117.4 | ||||
| 749 | A | 35 | Very low | 34.1 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | trans | -150.5 | 171.2 | -158.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 750 | S | 32.4 | Very low | 34.1 | Very low | 117 Ų | 117 | 131 Ų | 131 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 70.5 | 169.2 | 161.3 | -62.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 751 | P | 37.4 | Very low | 34.3 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | cis | -127.2 | -163.7 | 0.9 | 43.7 | -27.3 | 0 | 0 | 0 | 114.7 | ||||
| 752 | A | 30.2 | Very low | 34.4 | Very low | 90 Ų | 90 | 132.5 Ų | 132.5 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | -95.7 | 160.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 753 | F | 31.9 | Very low | 34.2 | Very low | 206 Ų | 206 | 128.3 Ų | 128.3 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | trans | -148.9 | 158.8 | 165.9 | -113.5 | -84 | 0 | 0 | 0 | 112.5 | ||||
| 754 | S | 28.1 | Very low | 34.2 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -124.2 | 146.6 | 172.7 | 170.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 755 | L | 31.9 | Very low | 34.1 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | 178.4 | 152.1 | 139.7 | -97.9 | 160.9 | 0 | 0 | 0 | 114.6 | ||||
| 756 | N | 29.4 | Very low | 34 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -23.6 | 154.7 | 174 | -105.5 | -7.1 | 0 | 0 | 0 | 121.8 | ||||
| 757 | P | 37.6 | Very low | 34.2 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -93.5 | 151 | 172.1 | 38 | -33.7 | 0 | 0 | 0 | 114.1 | ||||
| 758 | A | 34.8 | Very low | 34.4 | Very low | 85 Ų | 85 | 131.8 Ų | 131.8 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | trans | -162.8 | 132.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 759 | N | 33.7 | Very low | 34.3 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | 64.6 | 155.6 | 163.4 | -53 | -32.5 | 0 | 0 | 0 | 116.9 | ||||
| 760 | H | 38.5 | Very low | 34.3 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | cis | -136.4 | 158.1 | 9.2 | -151.2 | -79.6 | 0 | 0 | 0 | 112.1 | ||||
| 761 | L | 36.1 | Very low | 34.6 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -108.8 | -176.4 | -177 | -129.2 | 159.8 | 0 | 0 | 0 | 111.3 | ||||
| 762 | I | 37.2 | Very low | 34.2 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 94.8 | 124 | 174.1 | -52.3 | 154.9 | 0 | 0 | 0 | 114.2 | ||||
| 763 | G | 33.6 | Very low | 34.3 | Very low | 63 Ų | 63 | 145.3 Ų | 145.3 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | cis | 162 | 155.8 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 764 | L | 34.1 | Very low | 34.5 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -174.9 | 101.9 | 158 | -96.8 | 169 | 0 | 0 | 0 | 105 | ||||
| 765 | D | 34.3 | Very low | 34.9 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 64% | 0.642 | 80% | 0.801 | S | S | * | * | 71.2 | 115.6 | 65.9 | -160.8 | 52.2 | 0 | 0 | 0 | 111.4 | |||||
| 766 | K | 32.4 | Very low | 35 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | cis | -142.1 | 133.1 | 18.6 | -66.3 | 168.1 | 172.4 | 60.5 | 0 | 113.1 | ||||
| 767 | A | 37.7 | Very low | 35.3 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -172 | 142.6 | 143.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 768 | N | 38.2 | Very low | 35.2 | Very low | 154 Ų | 154 | 151.5 Ų | 151.5 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -42.7 | 129.3 | -176.1 | -51.8 | -47.5 | 0 | 0 | 0 | 114.9 | ||||
| 769 | R | 34.8 | Very low | 35.2 | Very low | 228 Ų | 228 | 155.4 Ų | 155.4 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | 79.5 | 130.7 | 56.6 | -77.1 | -166.2 | 176.1 | -143.2 | 0.3 | 114.7 | |||||
| 770 | H | 35.8 | Very low | 35.3 | Very low | 150 Ų | 150 | 155.4 Ų | 155.4 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | trans | 67.9 | 145.3 | -174.9 | -75.2 | 24.9 | 0 | 0 | 0 | 113.6 | D569 | D569-H770 IonicContact OD2-CD2 2.63Å; D569-H770 PolarHBondContact OD2-CD2 3.47Å; D569-H770 IonicContact OD2-CG 2.73Å | ||
| 771 | V | 38.7 | Very low | 35.1 | Very low | 98 Ų | 98 | 154.9 Ų | 154.9 | 59% | 0.594 | 81% | 0.81 | S | S | * | * | cis | -117.4 | 148.8 | 10 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 772 | Q | 29.9 | Very low | 35 | Very low | 187 Ų | 187 | 154.9 Ų | 154.9 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -134.7 | 98.9 | 162 | 179.1 | -172 | 69.8 | 0 | 0 | 109.3 | ||||
| 773 | M | 31.8 | Very low | 34.9 | Very low | 167 Ų | 167 | 155 Ų | 155 | 82% | 0.823 | 81% | 0.811 | S | S | * | * | trans | -174.2 | 139.3 | 154.7 | -112.3 | -165.7 | -64.6 | 0 | 0 | 111.4 | ||||
| 774 | L | 36.7 | Very low | 35 | Very low | 160 Ų | 160 | 162.7 Ų | 162.7 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | 99.7 | 97 | 167 | -65.4 | 156.9 | 0 | 0 | 0 | 117.6 | ||||
| 775 | L | 35.2 | Very low | 35 | Very low | 248 Ų | 248 | 162.5 Ų | 162.5 | 100% | 1.298 | 82% | 0.821 | S | S | * | * | trans | 65.3 | 0 | 160.3 | -65.1 | 159.5 | 0 | 0 | 0 | 115.8 |
Retrieved 775 of 775 residues in 576.6 ms
(Link to these results)