| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34 | Very low | 33.7 | Very low | 211 Ų | 211 | 180.1 Ų | 180.1 | 100% | 1.039 | 85% | 0.851 | S | S | * | * | 0 | 100.1 | 0 | -70.4 | 161.2 | 171.6 | 0 | 0 | 108.8 | L42 | M1-L42 HydrophobicContact CE-CD2 4.48Å; M1-L42 HydrophobicContact SD-CD1 4.38Å; M1-L42 HydrophobicContact SD-CD2 4.37Å | |||
| 2 | F | 31.1 | Very low | 34 | Very low | 211 Ų | 211 | 180.8 Ų | 180.8 | 93% | 0.925 | 85% | 0.853 | S | S | * | * | trans | -121.9 | 112.3 | 169.2 | -93.9 | -88.7 | 0 | 0 | 0 | 107.3 | ||||
| 3 | K | 32.5 | Very low | 33.7 | Very low | 193 Ų | 193 | 179.6 Ų | 179.6 | 84% | 0.839 | 86% | 0.856 | S | S | * | * | trans | 178.2 | 158.4 | 156.2 | -108.8 | 168.7 | -175.5 | -178.3 | 0 | 112.4 | ||||
| 4 | N | 37.8 | Very low | 33.7 | Very low | 139 Ų | 139 | 179.9 Ų | 179.9 | 74% | 0.743 | 86% | 0.856 | S | S | * | * | trans | 68.3 | 96.9 | 170.7 | -58.3 | 6.1 | 0 | 0 | 0 | 114.3 | ||||
| 5 | I | 35.2 | Very low | 33.9 | Very low | 134 Ų | 134 | 179.3 Ų | 179.3 | 69% | 0.687 | 85% | 0.852 | S | S | * | * | cis | 82.5 | 120.1 | 38.5 | -50.8 | 162.4 | 0 | 0 | 0 | 112.6 | ||||
| 6 | E | 31.4 | Very low | 34 | Very low | 175 Ų | 175 | 176.6 Ų | 176.6 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | trans | 33.2 | 104.6 | 156.5 | -60.2 | 172.2 | 164.6 | 0 | 0 | 119.7 | ||||
| 7 | H | 35.2 | Very low | 33.9 | Very low | 182 Ų | 182 | 175.9 Ų | 175.9 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | -164.6 | 115.4 | 126.8 | -120.3 | -91 | 0 | 0 | 0 | 109.9 | |||||
| 8 | L | 35.8 | Very low | 34.1 | Very low | 171 Ų | 171 | 171.9 Ų | 171.9 | 90% | 0.895 | 83% | 0.834 | S | S | * | * | trans | 165.5 | 57.3 | 159.3 | -94.2 | 163.7 | 0 | 0 | 0 | 110.8 | ||||
| 9 | K | 34.5 | Very low | 34.3 | Very low | 204 Ų | 204 | 171.4 Ų | 171.4 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | trans | -139.4 | 55.9 | 171.3 | -98.5 | -164.7 | 175 | -175.6 | 0 | 111.5 | ||||
| 10 | Q | 30.1 | Very low | 34.3 | Very low | 170 Ų | 170 | 171.5 Ų | 171.5 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | trans | -157.5 | 165.9 | 167.3 | -101 | 142 | 30.5 | 0 | 0 | 107.9 | ||||
| 11 | E | 33.5 | Very low | 34.3 | Very low | 191 Ų | 191 | 170.1 Ų | 170.1 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | S | Bend | trans | 68.8 | 62 | -179.5 | -54.8 | -167.7 | 153.7 | 0 | 0 | 117.5 | ||
| 12 | H | 36.9 | Very low | 34.2 | Very low | 188 Ų | 188 | 171.5 Ų | 171.5 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | -163.4 | 116.8 | 114.4 | -124.7 | -89.2 | 0 | 0 | 0 | 110 | |||||
| 13 | N | 29.8 | Very low | 34.5 | Very low | 166 Ų | 166 | 170.9 Ų | 170.9 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -159.2 | 79 | -179.5 | -150 | 15.6 | 0 | 0 | 0 | 111.9 | ||||
| 14 | Q | 34.3 | Very low | 34.4 | Very low | 183 Ų | 183 | 168.4 Ų | 168.4 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -159.1 | 151.9 | 166.7 | -115 | 160.1 | 12 | 0 | 0 | 110.6 | ||||
| 15 | E | 37.2 | Very low | 34.1 | Very low | 172 Ų | 172 | 172.7 Ų | 172.7 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | 70.2 | 84.1 | 175.1 | -54.2 | -165.1 | 127.5 | 0 | 0 | 117.8 | ||||
| 16 | N | 35 | Very low | 34.1 | Very low | 135 Ų | 135 | 171.3 Ų | 171.3 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | 41.4 | 144 | 103.2 | -51.7 | -18.2 | 0 | 0 | 0 | 119.1 | |||||
| 17 | Q | 31.6 | Very low | 34.5 | Very low | 165 Ų | 165 | 169 Ų | 169 | 77% | 0.771 | 82% | 0.818 | S | S | * | * | cis | -167.9 | 179.6 | -9.8 | -118.3 | 168.9 | -23.7 | 0 | 0 | 108 | ||||
| 18 | S | 37.6 | Very low | 34.6 | Very low | 105 Ų | 105 | 168.2 Ų | 168.2 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | 66.7 | 140.7 | 179.9 | 67 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 19 | D | 38.3 | Very low | 34.4 | Very low | 161 Ų | 161 | 169.2 Ų | 169.2 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | cis | -146.5 | 170.6 | -9.7 | -103.4 | -19.6 | 0 | 0 | 0 | 112.3 | ||||
| 20 | E | 35.1 | Very low | 34.4 | Very low | 174 Ų | 174 | 166.9 Ų | 166.9 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -84.8 | 133.8 | -164.4 | -54.5 | -170 | 147.3 | 0 | 0 | 115.5 | ||||
| 21 | N | 33.3 | Very low | 34.7 | Very low | 143 Ų | 143 | 165.6 Ų | 165.6 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | 171.1 | 90.5 | 121.6 | -100.2 | -78.2 | 0 | 0 | 0 | 113 | |||||
| 22 | Y | 32.6 | Very low | 34.5 | Very low | 239 Ų | 239 | 163.2 Ų | 163.2 | 94% | 0.937 | 80% | 0.799 | S | S | * | * | trans | -141.9 | 120.8 | 157.7 | -93.6 | -77.9 | 0 | 0 | 0 | 111.6 | ||||
| 23 | K | 37.9 | Very low | 34.2 | Very low | 199 Ų | 199 | 163.1 Ų | 163.1 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -91.9 | 124.5 | -171.1 | -158.8 | 167.9 | -172.4 | 168.8 | 0 | 111 | ||||
| 24 | L | 29.8 | Very low | 34.4 | Very low | 141 Ų | 141 | 160.8 Ų | 160.8 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -60.6 | 141.7 | 178.7 | -97.4 | 69.4 | 0 | 0 | 0 | 112.9 | ||||
| 25 | Y | 32 | Very low | 34.3 | Very low | 228 Ų | 228 | 160 Ų | 160 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | trans | -156.9 | 100.8 | 143 | -96.6 | -66 | 0 | 0 | 0 | 111.4 | ||||
| 26 | P | 35 | Very low | 34.1 | Very low | 105 Ų | 105 | 158.2 Ų | 158.2 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | trans | -98.5 | 130.5 | 161.4 | 34.1 | -26.5 | 0 | 0 | 0 | 110.6 | ||||
| 27 | D | 38.9 | Very low | 34 | Very low | 126 Ų | 126 | 157.1 Ų | 157.1 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | trans | -158.1 | 143.9 | 164.6 | -148.7 | -7.7 | 0 | 0 | 0 | 114.5 | ||||
| 28 | K | 37.8 | Very low | 34 | Very low | 167 Ų | 167 | 156 Ų | 156 | 73% | 0.726 | 78% | 0.782 | S | S | * | * | trans | 61.1 | 96.2 | 164.2 | -78.4 | 136.1 | -162.4 | 153.6 | 0 | 121.5 | ||||
| 29 | F | 31.9 | Very low | 33.9 | Very low | 192 Ų | 192 | 160 Ų | 160 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | -26.4 | 164.7 | 120.2 | -63.4 | -109.2 | 0 | 0 | 0 | 114.1 | |||||
| 30 | E | 33.9 | Very low | 33.9 | Very low | 154 Ų | 154 | 159.4 Ų | 159.4 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | cis | -163 | 143.9 | 23.4 | -157.1 | 163.1 | -147.1 | 0 | 0 | 111.2 | ||||
| 31 | T | 35.9 | Very low | 33.7 | Very low | 144 Ų | 144 | 159.5 Ų | 159.5 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -164.4 | 119.5 | 144.6 | -50.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 32 | L | 29.2 | Very low | 33.8 | Very low | 141 Ų | 141 | 158.6 Ų | 158.6 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -95.3 | 149.8 | 167.9 | -76.2 | 162.2 | 0 | 0 | 0 | 110.2 | ||||
| 33 | Y | 32 | Very low | 33.8 | Very low | 186 Ų | 186 | 154.8 Ų | 154.8 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | trans | -154.6 | 159.4 | 132.5 | -117.6 | -77.4 | 0 | 0 | 0 | 110.5 | ||||
| 34 | L | 33.2 | Very low | 33.9 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 61% | 0.613 | 76% | 0.764 | S | S | * | * | trans | -77.6 | 154.9 | -156.7 | -75.5 | 63.3 | 0 | 0 | 0 | 115 | ||||
| 35 | I | 32.6 | Very low | 33.8 | Very low | 167 Ų | 167 | 151.8 Ų | 151.8 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -122.6 | 117.2 | 147 | -63.8 | 175.9 | 0 | 0 | 0 | 106.1 | ||||
| 36 | D | 32.1 | Very low | 33.9 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -86.8 | 118.9 | 177 | -79.3 | -57.9 | 0 | 0 | 0 | 111.2 | ||||
| 37 | S | 34 | Very low | 33.6 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -170.4 | 87.7 | 161.8 | -83.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 38 | T | 31.8 | Very low | 33.1 | Very low | 140 Ų | 140 | 150.2 Ų | 150.2 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | -145.5 | 128.2 | 160.2 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 39 | K | 35.7 | Very low | 32.6 | Very low | 189 Ų | 189 | 149.3 Ų | 149.3 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | 151.8 | 132.4 | 157.2 | -90.6 | -173.8 | 176.2 | -173.5 | 0 | 109.3 | ||||
| 40 | E | 37.1 | Very low | 32.4 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | -134.8 | 153.7 | -6.2 | -59 | -156.6 | 143.7 | 0 | 0 | 111 | ||||
| 41 | L | 31.2 | Very low | 32.2 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -122.5 | 114.4 | 162.5 | -85.7 | 173.1 | 0 | 0 | 0 | 108.1 | ||||
| 42 | L | 34.8 | Very low | 31.9 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | trans | -149 | 90.4 | 170.8 | -106 | 170.7 | 0 | 0 | 0 | 110.8 | M1 | M1-L42 HydrophobicContact CE-CD2 4.48Å; M1-L42 HydrophobicContact SD-CD1 4.38Å; M1-L42 HydrophobicContact SD-CD2 4.37Å | ||
| 43 | H | 33.8 | Very low | 31.8 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -67.3 | 157.5 | 162 | -111.6 | -68.1 | 0 | 0 | 0 | 110.3 | ||||
| 44 | P | 38.3 | Very low | 31.7 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | -132.4 | 166.4 | 110 | 36.9 | -30 | 0 | 0 | 0 | 113.1 | |||||
| 45 | L | 27.8 | Very low | 31.3 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | -95.2 | 136.7 | 168.1 | -64.8 | 90.5 | 0 | 0 | 0 | 110.2 | ||||
| 46 | S | 34.5 | Very low | 31 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | -145 | 148.7 | 153.2 | 60.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 47 | K | 29.4 | Very low | 30.9 | Very low | 194 Ų | 194 | 131.8 Ų | 131.8 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -103.6 | 150.7 | -170.4 | -69.6 | -179.8 | 175.5 | 179.9 | 0 | 112.2 | ||||
| 48 | S | 27.6 | Very low | 30.6 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 68.1 | 164.9 | 142.2 | 65.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 49 | I | 28.8 | Very low | 30.5 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 71.1 | 89.4 | 174.9 | -51.6 | 173.9 | 0 | 0 | 0 | 111.7 | ||||
| 50 | S | 27.7 | Very low | 30.1 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | 68 | 124.3 | 60 | 86.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 51 | G | 29.5 | Very low | 29.9 | Very low | 64 Ų | 64 | 130 Ų | 130 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | 116.2 | 111.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 52 | S | 29.4 | Very low | 29.7 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | 67.3 | 86.6 | 86.4 | 71.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 53 | S | 27.3 | Very low | 29.3 | Very low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | 94.8 | 142 | 73.5 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 54 | L | 28.4 | Very low | 29.2 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | trans | 68.7 | 151 | 171.9 | -53.8 | 157.7 | 0 | 0 | 0 | 114 | ||||
| 55 | S | 26.3 | Very low | 28.8 | Very low | 86 Ų | 86 | 132 Ų | 132 | 60% | 0.601 | 77% | 0.767 | S | S | * | * | cis | -169.4 | 150.9 | -22.9 | 49.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 56 | T | 25.8 | Very low | 29 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | trans | 32.8 | 115.5 | 148.3 | 57.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 57 | S | 29.3 | Very low | 28.8 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | 177.4 | 138.6 | 94.9 | -164.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 58 | T | 27.4 | Very low | 28.9 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | trans | -74.6 | 142.2 | 159.5 | 40.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 59 | V | 31.1 | Very low | 28.9 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | -146 | 116.5 | 160.9 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | I61 | V59-I61 HydrophobicContact CG1-CD1 4.42Š| ||
| 60 | D | 26.6 | Very low | 29 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | trans | -76.5 | 150 | 164.2 | -68.3 | -77.5 | 0 | 0 | 0 | 111.1 | ||||
| 61 | I | 32.7 | Very low | 28.9 | Very low | 156 Ų | 156 | 126.9 Ų | 126.9 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | -154 | 93.3 | 143.5 | -93.3 | 134 | 0 | 0 | 0 | 110 | V59 | V59-I61 HydrophobicContact CG1-CD1 4.42Š| ||
| 62 | N | 26.9 | Very low | 29 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | 33.5 | 127.5 | 115 | -105.7 | -59.9 | 0 | 0 | 0 | 121.1 | |||||
| 63 | R | 27.2 | Very low | 28.9 | Very low | 224 Ų | 224 | 133.2 Ų | 133.2 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | 97.4 | 153.8 | 125 | -151.5 | -174.1 | -162.2 | 164.4 | 6.6 | 119.7 | |||||
| 64 | V | 32 | Very low | 28.8 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | 83.9 | 135.7 | 163.6 | -172.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 65 | N | 28.9 | Very low | 28.9 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | cis | -167 | 168.7 | -39.4 | -146.1 | 11.2 | 0 | 0 | 0 | 109.8 | ||||
| 66 | N | 32.1 | Very low | 29.2 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 60% | 0.604 | 75% | 0.747 | S | S | * | * | trans | 60.6 | 114.8 | 152.6 | -65.1 | -13.4 | 0 | 0 | 0 | 121 | ||||
| 67 | N | 30.3 | Very low | 29.2 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | 44.4 | 119.3 | 115.8 | -40.5 | -16.2 | 0 | 0 | 0 | 119.5 | |||||
| 68 | N | 30.7 | Very low | 29.1 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | 176.4 | 127.4 | 99 | -92.6 | -25.7 | 0 | 0 | 0 | 116.2 | |||||
| 69 | I | 28.1 | Very low | 29.1 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | 76.3 | 146.3 | 129.5 | -61.3 | 168.9 | 0 | 0 | 0 | 120.8 | |||||
| 70 | S | 30.3 | Very low | 28.8 | Very low | 98 Ų | 98 | 137.9 Ų | 137.9 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | trans | 76.8 | 86.7 | 161.2 | 47.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 71 | T | 26.7 | Very low | 28.9 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | 10.4 | 130.7 | 118.9 | 50.8 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 72 | I | 31.3 | Very low | 28.8 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 91% | 0.908 | 73% | 0.725 | S | S | * | * | trans | -134.1 | 133.9 | 136.5 | -63.2 | -175.6 | 0 | 0 | 0 | 107.4 | ||||
| 73 | D | 27.8 | Very low | 29.1 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | trans | -89 | 160.3 | -166.7 | -70.6 | -74.8 | 0 | 0 | 0 | 116.3 | ||||
| 74 | I | 25.5 | Very low | 29.3 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | trans | -84.2 | 121 | 161.2 | -60.7 | 169.9 | 0 | 0 | 0 | 107.8 | ||||
| 75 | H | 29.7 | Very low | 29.3 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | -127.6 | 102.4 | -177.3 | -156.9 | -57.2 | 0 | 0 | 0 | 112.9 | ||||
| 76 | P | 32.5 | Very low | 29.3 | Very low | 92 Ų | 92 | 132.8 Ų | 132.8 | 60% | 0.597 | 72% | 0.724 | S | S | * | * | trans | -80.2 | 165.8 | 160.1 | 34 | -32.8 | 0 | 0 | 0 | 111.2 | ||||
| 77 | Q | 26.6 | Very low | 29.2 | Very low | 171 Ų | 171 | 132.4 Ų | 132.4 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | trans | 81.6 | 129.2 | 173.3 | -50 | -162.3 | 19.4 | 0 | 0 | 120.5 | ||||
| 78 | S | 25.9 | Very low | 29.3 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | 95.3 | 130.4 | 133.2 | 80.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 79 | S | 27.6 | Very low | 29.3 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | trans | 85.3 | 92.5 | 135.9 | -62.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 80 | I | 25.6 | Very low | 29.5 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | 83 | 137.4 | 111.2 | -72.7 | 160.5 | 0 | 0 | 0 | 121.2 | |||||
| 81 | H | 29.7 | Very low | 29.6 | Very low | 155 Ų | 155 | 133 Ų | 133 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | 90.4 | 108.2 | 155 | -86.6 | -41.5 | 0 | 0 | 0 | 123.1 | ||||
| 82 | N | 28.9 | Very low | 29.7 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 57% | 0.572 | 73% | 0.733 | S | S | * | * | trans | 78 | 153.3 | 136.4 | -53.4 | -21.8 | 0 | 0 | 0 | 118.4 | ||||
| 83 | F | 33.4 | Very low | 29.6 | Very low | 195 Ų | 195 | 130.3 Ų | 130.3 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | cis | -127 | 146.2 | 12 | -106.2 | -77.9 | 0 | 0 | 0 | 115.7 | ||||
| 84 | L | 31.3 | Very low | 29.5 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | trans | -50.7 | 179.3 | 160 | -111.2 | 65.1 | 0 | 0 | 0 | 114.5 | ||||
| 85 | P | 33.5 | Very low | 29.6 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | cis | -143.1 | 170.6 | 10 | 36.3 | -15.3 | 0 | 0 | 0 | 119.3 | ||||
| 86 | S | 28.9 | Very low | 29.4 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | trans | 62.4 | 150 | 139.4 | 61.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 87 | S | 29.1 | Very low | 29.1 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | cis | -166.9 | 165.8 | -15.4 | 55.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 88 | Q | 33 | Very low | 29 | Very low | 158 Ų | 158 | 127.8 Ų | 127.8 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | cis | -146.4 | 169 | 27.7 | -58.7 | 176.9 | -11.1 | 0 | 0 | 111.6 | ||||
| 89 | N | 30.1 | Very low | 29 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | trans | 43 | 135.8 | 143.3 | -61.2 | -10.3 | 0 | 0 | 0 | 121.6 | ||||
| 90 | S | 32.4 | Very low | 29.2 | Very low | 86 Ų | 86 | 131.2 Ų | 131.2 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | cis | -173.4 | 145.1 | -8.1 | 47.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 91 | N | 31.4 | Very low | 29.5 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | 68.3 | 107 | 159.1 | -51.7 | -23.9 | 0 | 0 | 0 | 115.8 | ||||
| 92 | N | 30.3 | Very low | 29.7 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | 83.1 | 139.4 | 76.4 | -70.4 | -8.4 | 0 | 0 | 0 | 113.2 | |||||
| 93 | S | 28 | Very low | 29.6 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | cis | -175.7 | 154.4 | -12.5 | 50.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 94 | L | 27.1 | Very low | 29.4 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | 68.5 | 114.9 | 147.6 | -73.9 | 161.2 | 0 | 0 | 0 | 121.7 | ||||
| 95 | S | 27.6 | Very low | 29.3 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | 88.3 | 133.4 | 119.3 | -150.1 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 96 | S | 25.5 | Very low | 29 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | 83.2 | 170.7 | 149.3 | -58.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 97 | C | 25.4 | Very low | 29 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -83.8 | 175.6 | -156.9 | -54 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 98 | E | 25.2 | Very low | 29.1 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | trans | 81.9 | 152.5 | 163.2 | -57.6 | -162 | 105.6 | 0 | 0 | 120.3 | ||||
| 99 | Y | 25.4 | Very low | 29 | Very low | 194 Ų | 194 | 129.2 Ų | 129.2 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | trans | 21.7 | 104.3 | 158.7 | -89.1 | -94.8 | 0 | 0 | 0 | 122.4 | ||||
| 100 | A | 30.6 | Very low | 29 | Very low | 76 Ų | 76 | 129.3 Ų | 129.3 | 63% | 0.628 | 74% | 0.739 | S | S | * | * | 66.2 | 165.1 | 113.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 101 | V | 32.6 | Very low | 28.9 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 75% | 0.745 | 74% | 0.743 | S | S | * | * | trans | 64.8 | 166.5 | 170.7 | -125 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 102 | R | 33.6 | Very low | 29 | Very low | 208 Ų | 208 | 129 Ų | 129 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | cis | -160.7 | 146.8 | 4.9 | -172.7 | 175.7 | -80.5 | 142.5 | -9 | 112.4 | ||||
| 103 | T | 27.8 | Very low | 29.1 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | trans | -144.4 | 143 | 144.2 | 47.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 104 | N | 28.4 | Very low | 29.8 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | cis | -144.3 | 167.2 | 1.5 | -88.5 | -33.1 | 0 | 0 | 0 | 107.3 | ||||
| 105 | S | 28.8 | Very low | 30.3 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | cis | -168.5 | -177.7 | -19.6 | 54.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 106 | L | 27.5 | Very low | 30.3 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | 69.3 | 139 | 176.6 | -81.6 | 79.1 | 0 | 0 | 0 | 117.9 | ||||
| 107 | T | 30.1 | Very low | 30.6 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 80% | 0.798 | 74% | 0.739 | S | S | * | * | cis | -164.3 | 143.2 | -31.4 | 4.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 108 | G | 31.1 | Very low | 30.6 | Very low | 67 Ų | 67 | 130 Ų | 130 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | 84.9 | 156.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 109 | N | 30.3 | Very low | 30.6 | Very low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | cis | -163.5 | 156.5 | -10.6 | -132.5 | -3.5 | 0 | 0 | 0 | 112.2 | ||||
| 110 | I | 30.2 | Very low | 30.6 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | trans | 68.8 | 110.4 | 154.6 | -66 | 164.7 | 0 | 0 | 0 | 116.2 | ||||
| 111 | S | 29.6 | Very low | 30.4 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | 86.8 | 140.9 | 80.1 | -134.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 112 | T | 34.2 | Very low | 30 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | cis | -165.2 | 148 | -4.2 | -1.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 113 | N | 31.3 | Very low | 29.7 | Very low | 154 Ų | 154 | 124.8 Ų | 124.8 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | trans | 64.1 | 157.9 | 146.2 | -88.6 | -1.6 | 0 | 0 | 0 | 123.2 | ||||
| 114 | P | 44.4 | Very low | 29.6 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | trans | -118.6 | -161.7 | -171.7 | 44.9 | -30.3 | 0 | 0 | 0 | 111.7 | ||||
| 115 | Q | 36.6 | Very low | 29.6 | Very low | 178 Ų | 178 | 124.2 Ų | 124.2 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | 177.6 | 162.2 | 145.4 | -84.4 | -129.2 | 18.6 | 0 | 0 | 108.7 | ||||
| 116 | T | 28.6 | Very low | 29.6 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | cis | -168.6 | 173.9 | -33 | -62 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 117 | V | 31.9 | Very low | 29.6 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 68% | 0.679 | 71% | 0.713 | S | S | * | * | trans | 76 | 107.5 | 167.4 | -162.8 | 0 | 0 | 0 | 0 | 112.8 | F119 | V117-F119 HydrophobicContact CG1-CD2 4.25Š| ||
| 118 | S | 25.5 | Very low | 29.5 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | cis | 81.2 | 152.8 | 42 | -52.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 119 | F | 25 | Very low | 29.4 | Very low | 178 Ų | 178 | 125 Ų | 125 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | trans | 89.6 | 136.6 | 163 | -68.2 | -70.8 | 0 | 0 | 0 | 120.7 | V117 | V117-F119 HydrophobicContact CG1-CD2 4.25Š| ||
| 120 | Q | 25.6 | Very low | 29.1 | Very low | 168 Ų | 168 | 125 Ų | 125 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | 66 | 141.2 | 152.8 | -72.5 | 174.1 | -28.1 | 0 | 0 | 117.2 | ||||
| 121 | L | 25.1 | Very low | 29 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 72% | 0.723 | 71% | 0.706 | S | S | * | * | cis | 152.8 | 145.3 | -15.7 | -119.9 | 165 | 0 | 0 | 0 | 102.6 | ||||
| 122 | S | 24.7 | Very low | 28.9 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | trans | 67.8 | 159.1 | 158.6 | -55.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 123 | S | 26.6 | Very low | 28.5 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 66% | 0.657 | 71% | 0.709 | S | S | * | * | trans | 72.8 | 127.3 | 141.6 | 45.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 124 | N | 25.9 | Very low | 28.2 | Very low | 133 Ų | 133 | 126.2 Ų | 126.2 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | cis | -173.3 | -177.7 | -6.8 | -119.6 | -8.9 | 0 | 0 | 0 | 109.7 | ||||
| 125 | I | 28.7 | Very low | 27.4 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 60% | 0.6 | 70% | 0.703 | S | S | * | * | trans | 44.9 | 118.2 | 132.4 | -65.1 | 169.1 | 0 | 0 | 0 | 116 | ||||
| 126 | D | 30 | Very low | 26.9 | Very low | 133 Ų | 133 | 126 Ų | 126 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | cis | -140.4 | 154.9 | 36 | -95.4 | -47.7 | 0 | 0 | 0 | 111.4 | ||||
| 127 | N | 27.1 | Very low | 26.8 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | cis | 60.8 | 76.5 | 35.3 | -68.2 | -27.7 | 0 | 0 | 0 | 115.8 | ||||
| 128 | S | 28.2 | Very low | 26.8 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | trans | -151.7 | 109.3 | 133 | -69.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 129 | S | 27.5 | Very low | 27 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | cis | 69.7 | 137.7 | 48.9 | -51 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 130 | N | 25.6 | Very low | 27.6 | Very low | 148 Ų | 148 | 126 Ų | 126 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | trans | 67.9 | 125.3 | 162.5 | -50 | -31.7 | 0 | 0 | 0 | 113.5 | ||||
| 131 | I | 26.6 | Very low | 27.9 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 67% | 0.672 | 70% | 0.699 | S | S | * | * | cis | -150.5 | 133.8 | 30.4 | -91.6 | 117.3 | 0 | 0 | 0 | 105.1 | I133 | I131-I133 HydrophobicContact CG2-CB 3.86Å; I131-I133 HydrophobicContact CG2-CD1 3.86Å; I131-I133 HydrophobicContact CG2-CG1 3.85Å | ||
| 132 | L | 28.3 | Very low | 28.4 | Very low | 161 Ų | 161 | 125.7 Ų | 125.7 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | 57 | -179.7 | 61.3 | -145.7 | 83.1 | 0 | 0 | 0 | 112.2 | |||||
| 133 | I | 25.9 | Very low | 28.8 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 60% | 0.6 | 70% | 0.697 | S | S | * | * | trans | 58.8 | 84.3 | 174 | -51.3 | 175.6 | 0 | 0 | 0 | 111.4 | I131 | I131-I133 HydrophobicContact CG2-CB 3.86Å; I131-I133 HydrophobicContact CG2-CD1 3.86Å; I131-I133 HydrophobicContact CG2-CG1 3.85Å | ||
| 134 | N | 24.7 | Very low | 29 | Very low | 125 Ų | 125 | 129 Ų | 129 | 67% | 0.668 | 70% | 0.7 | S | S | * | * | 55.2 | 107.2 | 93.1 | -53.7 | 5.8 | 0 | 0 | 0 | 112 | |||||
| 135 | N | 27.2 | Very low | 29.3 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 74% | 0.738 | 70% | 0.697 | S | S | * | * | -169.4 | 117.3 | 105.4 | -86 | -8.7 | 0 | 0 | 0 | 107.1 | |||||
| 136 | E | 26.5 | Very low | 29.3 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | 81.2 | 120.4 | 69.2 | -84.2 | -163.7 | -170.8 | 0 | 0 | 113.3 | |||||
| 137 | N | 27.3 | Very low | 29.3 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 65% | 0.652 | 70% | 0.699 | S | S | * | * | trans | 80.5 | 145.8 | 142.2 | -57.1 | -24.6 | 0 | 0 | 0 | 121.1 | ||||
| 138 | I | 30.7 | Very low | 29.4 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | trans | 77.2 | 121.7 | 150.9 | -68.1 | 151.4 | 0 | 0 | 0 | 116.8 | ||||
| 139 | D | 31.1 | Very low | 29.5 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | cis | -165.4 | 175.9 | -10.4 | -114.7 | -17.6 | 0 | 0 | 0 | 112.5 | ||||
| 140 | A | 35.5 | Very low | 29.5 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 65% | 0.653 | 70% | 0.703 | S | S | * | * | trans | 70.7 | 110 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 141 | N | 32 | Very low | 29.7 | Very low | 152 Ų | 152 | 131 Ų | 131 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | 88.1 | 132.3 | 67 | -74 | -4.6 | 0 | 0 | 0 | 112.3 | |||||
| 142 | E | 36.7 | Very low | 29.8 | Very low | 148 Ų | 148 | 130.4 Ų | 130.4 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | cis | -154.9 | 148.8 | 6 | -121.6 | -167.8 | 145.5 | 0 | 0 | 111.9 | ||||
| 143 | N | 33.3 | Very low | 30 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | trans | 57.7 | 140.2 | 144.6 | -57 | -20.6 | 0 | 0 | 0 | 120.9 | ||||
| 144 | L | 30.8 | Very low | 30.4 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 72% | 0.723 | 72% | 0.716 | S | S | * | * | cis | -168.1 | 167.2 | -3.7 | -132.7 | 77.9 | 0 | 0 | 0 | 105.8 | ||||
| 145 | L | 30.9 | Very low | 30.6 | Very low | 124 Ų | 124 | 127 Ų | 127 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | cis | -160.5 | 99.9 | -3.9 | -173.2 | 65.5 | 0 | 0 | 0 | 111.7 | ||||
| 146 | T | 30 | Very low | 30.5 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | trans | 64 | 162.1 | 154.1 | 70.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 147 | N | 28.9 | Very low | 30.5 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 65% | 0.647 | 72% | 0.717 | S | S | * | * | cis | -157 | 135.8 | -14.3 | -117.1 | -26.2 | 0 | 0 | 0 | 112.6 | ||||
| 148 | Q | 29.7 | Very low | 30.6 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 66% | 0.659 | 72% | 0.72 | S | S | * | * | trans | 53.9 | 124.1 | 135.9 | -71.9 | 178.6 | 78.1 | 0 | 0 | 125.1 | ||||
| 149 | Q | 29.6 | Very low | 30.5 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | 85.5 | 98.2 | 126.2 | -69 | 178.3 | 7.6 | 0 | 0 | 123.7 | |||||
| 150 | S | 28.3 | Very low | 30.4 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | 67.6 | 130.3 | 107.5 | -51 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 151 | T | 29.3 | Very low | 30 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | 100.3 | 122.5 | 148.6 | 68.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 152 | S | 28.6 | Very low | 29.8 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 70% | 0.703 | S | S | * | * | trans | 68.5 | 142.9 | 150.2 | 44.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 153 | S | 32.6 | Very low | 29.4 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | trans | -69.6 | 177.3 | 176.4 | -29.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 154 | P | 35.8 | Very low | 29.4 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 71% | 0.713 | S | S | * | * | cis | -136.5 | 177.5 | 1.7 | 43.2 | -27.1 | 0 | 0 | 0 | 116 | ||||
| 155 | S | 27 | Very low | 29.2 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | trans | 69.9 | 133.1 | 150.7 | -159.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 156 | N | 26.7 | Very low | 29.1 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | 79.9 | 141 | 148.3 | -103.9 | -24.7 | 0 | 0 | 0 | 121.5 | ||||
| 157 | Y | 25 | Very low | 28.9 | Very low | 173 Ų | 173 | 135.1 Ų | 135.1 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | 59.3 | 106 | 167.3 | -81.2 | -102.9 | 0 | 0 | 0 | 117.9 | ||||
| 158 | M | 30.4 | Very low | 28.8 | Very low | 142 Ų | 142 | 136 Ų | 136 | 70% | 0.7 | 71% | 0.714 | S | S | * | * | 55.6 | 110.2 | 67.5 | -174.2 | -140.4 | -79.6 | 0 | 0 | 113.2 | |||||
| 159 | K | 28.7 | Very low | 28.8 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | 177.7 | 153 | 130.5 | -105.6 | 168.9 | -179.4 | 179.3 | 0 | 115.3 | ||||
| 160 | I | 28.2 | Very low | 28.8 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 67% | 0.672 | 72% | 0.717 | S | S | * | * | trans | 75.1 | 128.4 | 142.4 | -72.9 | 166.6 | 0 | 0 | 0 | 117.1 | ||||
| 161 | Q | 28 | Very low | 29.2 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 67% | 0.673 | 70% | 0.702 | S | S | * | * | cis | -169 | 166.4 | -8.1 | -125.2 | 174.7 | 5.8 | 0 | 0 | 113.7 | ||||
| 162 | N | 27.9 | Very low | 29.2 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 55% | 0.545 | 68% | 0.684 | S | S | . | * | trans | 43.2 | 123.5 | 145 | -59.8 | -21.1 | 0 | 0 | 0 | 119.3 | ||||
| 163 | Y | 28.6 | Very low | 29.1 | Very low | 211 Ų | 211 | 127.9 Ų | 127.9 | 83% | 0.827 | 67% | 0.666 | S | S | * | * | -171.1 | 150.4 | 81.1 | -90.6 | -68 | 0 | 0 | 0 | 108.6 | |||||
| 164 | L | 31.5 | Very low | 28.8 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 71% | 0.707 | 66% | 0.662 | S | S | * | * | cis | -130.5 | 135.4 | -5.2 | -119.2 | 109.3 | 0 | 0 | 0 | 108.8 | ||||
| 165 | L | 27.4 | Very low | 28.3 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 58% | 0.581 | 66% | 0.656 | S | S | * | * | 32.2 | 123.3 | 128.8 | -80.7 | 61.7 | 0 | 0 | 0 | 121.9 | |||||
| 166 | K | 28.3 | Very low | 28.3 | Very low | 176 Ų | 176 | 132.9 Ų | 132.9 | 77% | 0.765 | 66% | 0.662 | S | S | * | * | 69.7 | 147.7 | 113.2 | -64.6 | -176 | -177.6 | 177.7 | 0 | 120 | |||||
| 167 | T | 27 | Very low | 28.2 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 66% | 0.656 | 66% | 0.658 | S | S | * | * | cis | -169 | 149.5 | -0.1 | 19 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 168 | L | 26.8 | Very low | 28.2 | Very low | 139 Ų | 139 | 130 Ų | 130 | 73% | 0.728 | 66% | 0.662 | S | S | * | * | trans | 71.9 | 127.6 | 143.7 | -63.7 | 162.4 | 0 | 0 | 0 | 121.3 | ||||
| 169 | D | 28.3 | Very low | 28 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | 67.2 | 93.4 | 128 | -53.5 | -3.3 | 0 | 0 | 0 | 123.4 | |||||
| 170 | S | 29.7 | Very low | 27.9 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 74% | 0.741 | 67% | 0.669 | S | S | * | * | 72.9 | -173.7 | 117.4 | -126.5 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 171 | P | 37.6 | Very low | 28 | Very low | 61 Ų | 61 | 125 Ų | 125 | 40% | 0.396 | 68% | 0.68 | S | S | . | * | trans | -116.5 | -169 | -130.2 | 22.7 | 3.7 | 0 | 0 | 0 | 115.2 | V1349 | P171-V1349 HydrophobicContact CB-CG1 4.48Š| ||
| 172 | H | 30 | Very low | 27.8 | Very low | 95 Ų | 95 | 122.9 Ų | 122.9 | 44% | 0.44 | 68% | 0.681 | S | S | . | * | B | Isolated β-bridge | trans | 114.1 | 159.4 | 164.8 | -45.2 | -30.9 | 0 | 0 | 0 | 120.1 | V1349 E1350 D1351 | H172-V1349 VanDerWaalsContact N-CG1 3.32Å; H172-V1349 WeakPolarHBondContact O-CG1 3.35Å; H172-E1350 WeakPolarHBondContact CA-O 3.45Å; H172-E1350 PolarHBondContact N-O 3.13Å; H172-E1350 PolarHBondContact ND1-O 3.26Å; H172-E1350 PolarHBondContact O-N 3.46Å; H172-E1350 VanDerWaalsContact O-N 3.13Å; H172-D1351 HydrophobicContact CB-CB 3.81Å; H172-D1351 IonicContact CE1-OD1 3.28Å; H172-D1351 PolarHBondContact CE1-OD1 3.22Å; H172-D1351 IonicContact CE1-OD2 3.22Å; H172-D1351 IonicContact CG-OD1 3.23Å; H172-D1351 IonicContact CG-OD2 2.8Å; H172-D1351 WeakPolarHBondContact ND1-CB 3.45Å; H172-D1351 IonicContact ND1-OD1 2.66Å; H172-D1351 PolarHBondContact ND1-OD1 3.12Å; H172-D1351 IonicContact ND1-OD2 2.74Å; H172-D1351 PolarHBondContact ND1-OD2 3.43Å; H172-D1351 IonicContact NE2-OD1 2.78Å |
| 173 | D | 25.3 | Very low | 27.8 | Very low | 83 Ų | 83 | 125.7 Ų | 125.7 | 44% | 0.444 | 69% | 0.694 | S | S | . | * | -98 | 179.2 | -125.9 | -161.7 | 33.6 | 0 | 0 | 0 | 120.4 | D1351 | D173-D1351 HydrophobicContact CB-CB 3.69Å; D173-D1351 PolarHBondContact OD1-N 2.69Å | |||
| 174 | L | 27.2 | Very low | 27.7 | Very low | 135 Ų | 135 | 120.2 Ų | 120.2 | 71% | 0.707 | 69% | 0.687 | S | S | * | * | trans | 112.9 | 103.5 | 140.4 | -80.8 | 178.1 | 0 | 0 | 0 | 119.8 | ||||
| 175 | S | 25.2 | Very low | 27.6 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 62% | 0.622 | 69% | 0.694 | S | S | * | * | 73.2 | 130.4 | 121.8 | 81.9 | 0 | 0 | 0 | 0 | 123 | |||||
| 176 | Y | 25.9 | Very low | 27.5 | Very low | 214 Ų | 214 | 122 Ų | 122 | 84% | 0.839 | 70% | 0.7 | S | S | * | * | trans | 60.9 | 141 | 130.5 | -91.7 | -73.4 | 0 | 0 | 0 | 125.3 | ||||
| 177 | T | 25.2 | Very low | 27.8 | Very low | 104 Ų | 104 | 119.3 Ų | 119.3 | 64% | 0.638 | 70% | 0.703 | S | S | * | * | trans | 76.8 | 115.4 | 151.5 | 54.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 178 | N | 25.8 | Very low | 27.8 | Very low | 143 Ų | 143 | 123 Ų | 123 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | 44.7 | 124.1 | 123.2 | -47.7 | -24.4 | 0 | 0 | 0 | 118.1 | |||||
| 179 | S | 26.4 | Very low | 28 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | -172.2 | 141.4 | 69.7 | -68.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 180 | S | 25.7 | Very low | 27.8 | Very low | 118 Ų | 118 | 127 Ų | 127 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | trans | -7.8 | 130.4 | 154.3 | 57.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 181 | A | 29.3 | Very low | 27.7 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 89% | 0.893 | 73% | 0.727 | S | S | * | * | trans | -142.5 | 94 | 148.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 182 | S | 25 | Very low | 27.1 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | trans | -86.4 | 136 | 178.2 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 183 | I | 28.5 | Very low | 26.8 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | trans | -165.7 | 119.6 | 149.2 | -94.2 | 139 | 0 | 0 | 0 | 105.7 | ||||
| 184 | S | 25.2 | Very low | 26.9 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | cis | 88.1 | 83 | 30.9 | -56.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 185 | Q | 30.2 | Very low | 26.7 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -168 | 116.1 | 142.5 | -102.4 | 146.9 | 85.6 | 0 | 0 | 108.1 | ||||
| 186 | S | 25.6 | Very low | 26.8 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | 65.8 | 114.2 | 83.2 | -169.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 187 | S | 34.6 | Very low | 26.7 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | -153.5 | 162.3 | 77.8 | -66.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 188 | Q | 26.3 | Very low | 26.9 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -94.9 | 142.6 | -173.3 | -55.5 | 166.7 | -3.5 | 0 | 0 | 112.5 | ||||
| 189 | I | 30.2 | Very low | 27 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -133.3 | 142.2 | 137.1 | -61.4 | -174 | 0 | 0 | 0 | 107.8 | ||||
| 190 | K | 24.8 | Very low | 27.3 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -139.2 | -179.6 | -179.6 | -170 | 175.3 | 178.3 | 180 | 0 | 107.7 | ||||
| 191 | L | 27 | Very low | 27.7 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | trans | 90.4 | 138 | 177 | -50 | 171.3 | 0 | 0 | 0 | 113.1 | ||||
| 192 | T | 25.2 | Very low | 28.1 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 64% | 0.638 | 75% | 0.747 | S | S | * | * | cis | -163.6 | 162.2 | -17.4 | 11.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 193 | N | 25.2 | Very low | 28.7 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 28.8 | 135.4 | 137.8 | -52.4 | 3.6 | 0 | 0 | 0 | 118.9 | ||||
| 194 | N | 26.2 | Very low | 29.5 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | cis | -168.9 | 157.8 | 39.1 | -127.1 | 4.2 | 0 | 0 | 0 | 113.3 | ||||
| 195 | C | 23.5 | Very low | 30.5 | Very low | 94 Ų | 94 | 130.2 Ų | 130.2 | 64% | 0.635 | 72% | 0.715 | S | S | * | * | trans | 26.6 | 108.9 | 144.7 | -54.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 196 | N | 26 | Very low | 31.5 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | 166.7 | 116.1 | 96.6 | -86.6 | -27.8 | 0 | 0 | 0 | 115.4 | |||||
| 197 | L | 25.3 | Very low | 33.2 | Very low | 172 Ų | 172 | 126.9 Ų | 126.9 | 90% | 0.901 | 69% | 0.687 | S | S | * | * | 35 | 83.9 | 129.2 | -157.7 | 84 | 0 | 0 | 0 | 119.4 | |||||
| 198 | S | 28 | Very low | 34.8 | Very low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | trans | -160 | 48 | 156 | -169 | 0 | 0 | 0 | 0 | 113.9 | Q200 | S198-Q200 VanDerWaalsContact C-N 3.3Å; S198-Q200 PolarHBondContact O-N 3.34Å | ||
| 199 | D | 28.6 | Very low | 36.1 | Very low | 171 Ų | 171 | 122.5 Ų | 122.5 | 91% | 0.914 | 66% | 0.661 | S | S | * | * | trans | -74 | 76.7 | 179.5 | -62.7 | -45.4 | 0 | 0 | 0 | 112.5 | ||||
| 200 | Q | 31.9 | Very low | 37.3 | Very low | 165 Ų | 165 | 120.5 Ų | 120.5 | 77% | 0.771 | 65% | 0.651 | S | S | * | * | trans | -138.9 | 145.8 | 166.6 | -72 | -169.1 | -13.1 | 0 | 0 | 110.1 | S198 | S198-Q200 VanDerWaalsContact C-N 3.3Å; S198-Q200 PolarHBondContact O-N 3.34Å | ||
| 201 | L | 35 | Very low | 38.8 | Very low | 97 Ų | 97 | 114.1 Ų | 114.1 | 51% | 0.508 | 64% | 0.638 | S | S | . | * | trans | 67.4 | 94.8 | 173.5 | -59.4 | 160.2 | 0 | 0 | 0 | 114.2 | I203 T217 T218 | L201-I203 PolarHBondContact O-N 3.16Å; L201-T217 HydrophobicContact CB-CG2 3.71Å; L201-T217 HydrophobicContact CD2-CG2 3.59Å; L201-T217 HydrophobicContact CG-CG2 4.14Å; L201-T218 CarbonylContact C-O 3.42Å; L201-T218 WeakPolarHBondContact CA-O 3.1Å | ||
| 202 | G | 37.3 | Very low | 39.7 | Very low | 37 Ų | 37 | 112.1 Ų | 112.1 | 38% | 0.381 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.2 | 97.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T218 | G202-T218 PolarHBondContact N-O 3.2Å; G202-T218 PolarHBondContact O-N 2.87Å; G202-T218 PolarHBondContact O-OG1 3.42Å |
| 203 | I | 37.8 | Very low | 40.6 | Very low | 106 Ų | 106 | 112 Ų | 112 | 54% | 0.544 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.2 | 117.1 | 176 | -72.3 | 169.4 | 0 | 0 | 0 | 109.4 | L201 I215 I216 T217 | L201-I203 PolarHBondContact O-N 3.16Å; I203-I215 HydrophobicContact CG2-CG2 3.92Å; I203-I216 WeakPolarHBondContact CA-O 3.29Å; I203-T217 HydrophobicContact CG1-CG2 3.91Å |
| 204 | T | 44.7 | Very low | 41.6 | Very low | 86 Ų | 86 | 109.6 Ų | 109.6 | 53% | 0.528 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.3 | 116.5 | 168.7 | -59.2 | 0 | 0 | 0 | 0 | 108.6 | I216 | T204-I216 PolarHBondContact N-O 3.49Å; T204-I216 PolarHBondContact O-N 3.42Å |
| 205 | T | 47.2 | Very low | 42.7 | Very low | 73 Ų | 73 | 108.3 Ų | 108.3 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91 | 130.8 | 167.9 | -47.9 | 0 | 0 | 0 | 0 | 109.5 | N213 Y214 I215 | T205-N213 HydrophobicContact CG2-CB 4.04Å; T205-N213 WeakPolarHBondContact CG2-OD1 3.4Å; T205-Y214 CarbonylContact C-O 3.5Å; T205-Y214 VanDerWaalsContact CA-O 3.26Å; T205-Y214 WeakPolarHBondContact CA-O 3.3Å; T205-I215 HydrophobicContact CG2-CG1 4.21Å |
| 206 | Y | 51.8 | Low | 43.7 | Very low | 109 Ų | 109 | 107.7 Ų | 107.7 | 43% | 0.427 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.7 | 159.1 | 165.3 | 66.9 | -88.1 | 0 | 0 | 0 | 110.4 | N213 Y214 I216 | Y206-N213 CarbonylContact O-C 3.59Å; Y206-N213 WeakPolarHBondContact O-CA 3.46Å; Y206-Y214 HydrophobicContact CD2-CD2 4Å; Y206-Y214 HydrophobicContact CD2-CG 4.43Å; Y206-Y214 VanDerWaalsContact CE1-CB 3.46Å; Y206-Y214 HydrophobicContact CE1-CG 4.29Å; Y206-Y214 AromaticContact CE2-CD2 3.46Å; Y206-Y214 HydrophobicContact CE2-CD2 3.46Å; Y206-Y214 VanDerWaalsContact CE2-CD2 3.46Å; Y206-Y214 HydrophobicContact CE2-CE2 4.26Å; Y206-Y214 AromaticContact CE2-CG 3.69Å; Y206-Y214 HydrophobicContact CE2-CG 3.69Å; Y206-Y214 AromaticContact CZ-CD2 3.92Å; Y206-Y214 AromaticContact CZ-CG 3.61Å; Y206-Y214 PolarHBondContact N-O 2.97Å; Y206-Y214 PolarHBondContact O-N 3.13Å; Y206-I216 HydrophobicContact CD1-CD1 4.42Å; Y206-I216 HydrophobicContact CE1-CD1 3.64Å; Y206-I216 HydrophobicContact CE1-CG1 3.95Å |
| 207 | I | 60.8 | Low | 44.3 | Very low | 107 Ų | 107 | 103.7 Ų | 103.7 | 55% | 0.549 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.3 | 179.9 | -56.6 | -177.2 | 0 | 0 | 0 | 107.5 | Q212 | I207-Q212 VanDerWaalsContact CA-O 3.31Å; I207-Q212 WeakPolarHBondContact CA-O 3.23Å |
| 208 | D | 67.8 | Low | 44.9 | Very low | 35 Ų | 35 | 98 Ų | 98 | 19% | 0.187 | 54% | 0.536 | C | S | . | . | trans | -84.9 | 174.1 | 172.9 | 75.8 | -8.8 | 0 | 0 | 0 | 112.5 | N210 G211 Q212 Y214 | D208-N210 PolarHBondContact O-N 3.19Å; D208-N210 WeakPolarHBondContact OD1-CA 3.13Å; D208-N210 WeakPolarHBondContact OD1-CB 3.4Å; D208-N210 PolarHBondContact OD1-N 3.18Å; D208-N210 PolarHBondContact OD2-ND2 3.15Å; D208-G211 PolarHBondContact O-N 3.27Å; D208-G211 PolarHBondContact OD1-N 3.4Å; D208-G211 VanDerWaalsContact OD1-N 3.09Å; D208-Q212 PolarHBondContact N-O 2.99Å; D208-Q212 VanDerWaalsContact N-O 3.14Å; D208-Q212 WeakPolarHBondContact OD1-CB 3.31Å; D208-Q212 PolarHBondContact OD1-N 3.18Å; D208-Y214 HydrophobicContact CB-CE2 3.78Å; D208-Y214 PolarHBondContact OD2-OH 3.17Å | ||
| 209 | D | 52.7 | Low | 45.2 | Very low | 175 Ų | 175 | 97.4 Ų | 97.4 | 94% | 0.936 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.5 | 178.3 | -51.3 | -49.6 | 0 | 0 | 0 | 113.5 | ||
| 210 | N | 56.4 | Low | 45.3 | Very low | 132 Ų | 132 | 99.7 Ų | 99.7 | 71% | 0.706 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -0 | 175 | -49.2 | -67.5 | 0 | 0 | 0 | 113 | D208 | D208-N210 PolarHBondContact O-N 3.19Å; D208-N210 WeakPolarHBondContact OD1-CA 3.13Å; D208-N210 WeakPolarHBondContact OD1-CB 3.4Å; D208-N210 PolarHBondContact OD1-N 3.18Å; D208-N210 PolarHBondContact OD2-ND2 3.15Å |
| 211 | G | 56.3 | Low | 45.3 | Very low | 50 Ų | 50 | 96.9 Ų | 96.9 | 52% | 0.515 | 53% | 0.528 | S | S | . | . | trans | 81.1 | 7.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D208 | D208-G211 PolarHBondContact O-N 3.27Å; D208-G211 PolarHBondContact OD1-N 3.4Å; D208-G211 VanDerWaalsContact OD1-N 3.09Å | ||
| 212 | Q | 46 | Very low | 45.1 | Very low | 112 Ų | 112 | 100.2 Ų | 100.2 | 52% | 0.523 | 55% | 0.547 | S | S | . | . | trans | -77.9 | 126.4 | 179.4 | -61.4 | -163.9 | 24 | 0 | 0 | 111.2 | I207 D208 Y214 | I207-Q212 VanDerWaalsContact CA-O 3.31Å; I207-Q212 WeakPolarHBondContact CA-O 3.23Å; D208-Q212 PolarHBondContact N-O 2.99Å; D208-Q212 VanDerWaalsContact N-O 3.14Å; D208-Q212 WeakPolarHBondContact OD1-CB 3.31Å; D208-Q212 PolarHBondContact OD1-N 3.18Å; Q212-Y214 HydrophobicContact CB-CD2 4.41Å; Q212-Y214 HydrophobicContact CB-CE2 3.69Å; Q212-Y214 VanDerWaalsContact O-CD2 3.26Å; Q212-Y214 WeakPolarHBondContact O-CD2 3.19Å; Q212-Y214 WeakPolarHBondContact O-CE2 3.29Å | ||
| 213 | N | 43.7 | Very low | 44.7 | Very low | 102 Ų | 102 | 107.5 Ų | 107.5 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.5 | 115.6 | 175.2 | -80.4 | -111.8 | 0 | 0 | 0 | 110.1 | T205 Y206 | T205-N213 HydrophobicContact CG2-CB 4.04Å; T205-N213 WeakPolarHBondContact CG2-OD1 3.4Å; Y206-N213 CarbonylContact O-C 3.59Å; Y206-N213 WeakPolarHBondContact O-CA 3.46Å |
| 214 | Y | 45.8 | Very low | 44.4 | Very low | 84 Ų | 84 | 108 Ų | 108 | 33% | 0.329 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 131.1 | 174.1 | -62.5 | -94.8 | 0 | 0 | 0 | 109.9 | T205 Y206 D208 Q212 | T205-Y214 CarbonylContact C-O 3.5Å; T205-Y214 VanDerWaalsContact CA-O 3.26Å; T205-Y214 WeakPolarHBondContact CA-O 3.3Å; Y206-Y214 HydrophobicContact CD2-CD2 4Å; Y206-Y214 HydrophobicContact CD2-CG 4.43Å; Y206-Y214 VanDerWaalsContact CE1-CB 3.46Å; Y206-Y214 HydrophobicContact CE1-CG 4.29Å; Y206-Y214 AromaticContact CE2-CD2 3.46Å; Y206-Y214 HydrophobicContact CE2-CD2 3.46Å; Y206-Y214 VanDerWaalsContact CE2-CD2 3.46Å; Y206-Y214 HydrophobicContact CE2-CE2 4.26Å; Y206-Y214 AromaticContact CE2-CG 3.69Å; Y206-Y214 HydrophobicContact CE2-CG 3.69Å; Y206-Y214 AromaticContact CZ-CD2 3.92Å; Y206-Y214 AromaticContact CZ-CG 3.61Å; Y206-Y214 PolarHBondContact N-O 2.97Å; Y206-Y214 PolarHBondContact O-N 3.13Å; D208-Y214 HydrophobicContact CB-CE2 3.78Å; D208-Y214 PolarHBondContact OD2-OH 3.17Å; Q212-Y214 HydrophobicContact CB-CD2 4.41Å; Q212-Y214 HydrophobicContact CB-CE2 3.69Å; Q212-Y214 VanDerWaalsContact O-CD2 3.26Å; Q212-Y214 WeakPolarHBondContact O-CD2 3.19Å; Q212-Y214 WeakPolarHBondContact O-CE2 3.29Å |
| 215 | I | 49.2 | Very low | 43.9 | Very low | 110 Ų | 110 | 113.8 Ų | 113.8 | 56% | 0.564 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.7 | 109.4 | 177.2 | -73.7 | 166.6 | 0 | 0 | 0 | 108.9 | I203 T205 | I203-I215 HydrophobicContact CG2-CG2 3.92Å; T205-I215 HydrophobicContact CG2-CG1 4.21Å |
| 216 | I | 45.8 | Very low | 43.1 | Very low | 81 Ų | 81 | 118 Ų | 118 | 42% | 0.415 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.5 | 126.6 | 167.7 | -70.5 | 177 | 0 | 0 | 0 | 108.4 | I203 T204 Y206 T218 | I203-I216 WeakPolarHBondContact CA-O 3.29Å; T204-I216 PolarHBondContact N-O 3.49Å; T204-I216 PolarHBondContact O-N 3.42Å; Y206-I216 HydrophobicContact CD1-CD1 4.42Å; Y206-I216 HydrophobicContact CE1-CD1 3.64Å; Y206-I216 HydrophobicContact CE1-CG1 3.95Å; I216-T218 HydrophobicContact CG2-CG2 4.18Å |
| 217 | T | 38.7 | Very low | 42.2 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 42% | 0.423 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.7 | 111.9 | -178.3 | -52.2 | 0 | 0 | 0 | 0 | 110.3 | L201 I203 | L201-T217 HydrophobicContact CB-CG2 3.71Å; L201-T217 HydrophobicContact CD2-CG2 3.59Å; L201-T217 HydrophobicContact CG-CG2 4.14Å; I203-T217 HydrophobicContact CG1-CG2 3.91Å |
| 218 | T | 37.9 | Very low | 40.9 | Very low | 52 Ų | 52 | 126.1 Ų | 126.1 | 32% | 0.319 | 66% | 0.657 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.3 | 136.7 | -179 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | L201 G202 I216 | L201-T218 CarbonylContact C-O 3.42Å; L201-T218 WeakPolarHBondContact CA-O 3.1Å; G202-T218 PolarHBondContact N-O 3.2Å; G202-T218 PolarHBondContact O-N 2.87Å; G202-T218 PolarHBondContact O-OG1 3.42Å; I216-T218 HydrophobicContact CG2-CG2 4.18Å |
| 219 | S | 34.5 | Very low | 39.4 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 64% | 0.643 | 69% | 0.693 | S | S | * | * | trans | -124.5 | 120.2 | 174.2 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 220 | Y | 30.6 | Very low | 38.3 | Very low | 220 Ų | 220 | 134.5 Ų | 134.5 | 86% | 0.863 | 69% | 0.686 | S | S | * | * | trans | -95.1 | 139.3 | 171.5 | -83.7 | -92.1 | 0 | 0 | 0 | 110 | ||||
| 221 | S | 32.2 | Very low | 37.3 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 70% | 0.695 | S | S | * | * | trans | -135.4 | 145.5 | 172.6 | -73.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 222 | N | 30.7 | Very low | 36.2 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 89% | 0.893 | 71% | 0.709 | S | S | * | * | trans | 77.9 | 71.6 | -174 | -52.9 | -36.3 | 0 | 0 | 0 | 116.7 | ||||
| 223 | Q | 27.7 | Very low | 35.4 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | trans | -101.9 | 113.3 | 149.5 | -72.8 | -168.6 | 15.4 | 0 | 0 | 110.1 | ||||
| 224 | S | 31.9 | Very low | 34.7 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | trans | -170.1 | 70.3 | 163.5 | -85.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 225 | K | 34 | Very low | 34 | Very low | 207 Ų | 207 | 151.3 Ų | 151.3 | 90% | 0.9 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 158.7 | 72.8 | 152.9 | -90.4 | 167.4 | 178.8 | -178.3 | 0 | 111.5 | ||
| 226 | L | 30.6 | Very low | 33.1 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -160.5 | 101.4 | 159.5 | -114.2 | 147.5 | 0 | 0 | 0 | 109.9 | ||||
| 227 | K | 33.5 | Very low | 32.3 | Very low | 199 Ų | 199 | 158.5 Ų | 158.5 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -148.1 | 139 | 169 | -97 | -169.3 | 175.1 | -178.7 | 0 | 107.1 | ||||
| 228 | Q | 33.8 | Very low | 31.9 | Very low | 186 Ų | 186 | 163.3 Ų | 163.3 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 67.3 | 132.8 | -157.2 | -46.5 | 174.6 | 11.1 | 0 | 0 | 110.2 | ||
| 229 | K | 35 | Very low | 31.5 | Very low | 215 Ų | 215 | 167.5 Ų | 167.5 | 94% | 0.935 | 82% | 0.819 | S | S | * | * | cis | -136.3 | 138.7 | 9.1 | -174.2 | -178.3 | 179.7 | -173 | 0 | 108.1 | ||||
| 230 | Q | 30 | Very low | 31.2 | Very low | 172 Ų | 172 | 170.4 Ų | 170.4 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -138.6 | 121.2 | -172.6 | -174.4 | 178.3 | 31.8 | 0 | 0 | 112.6 | ||||
| 231 | Q | 35.1 | Very low | 31.1 | Very low | 192 Ų | 192 | 166.7 Ų | 166.7 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | 165.2 | 136.1 | 166.7 | -94.9 | 158.9 | 18.3 | 0 | 0 | 104.2 | ||||
| 232 | H | 33.2 | Very low | 30.9 | Very low | 171 Ų | 171 | 169.4 Ų | 169.4 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | cis | -121.8 | 179.9 | 9.1 | -164.1 | -94.9 | 0 | 0 | 0 | 111.2 | ||||
| 233 | I | 29.5 | Very low | 30.7 | Very low | 127 Ų | 127 | 167.8 Ų | 167.8 | 65% | 0.651 | 81% | 0.811 | S | S | * | * | trans | -128.5 | 142.9 | -172.3 | -61.9 | 165.4 | 0 | 0 | 0 | 110.4 | ||||
| 234 | Q | 29.7 | Very low | 30.7 | Very low | 182 Ų | 182 | 163.7 Ų | 163.7 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | 168.1 | 99.2 | 137 | -93.2 | 160.5 | 3 | 0 | 0 | 113.5 | ||||
| 235 | D | 31 | Very low | 30.3 | Very low | 161 Ų | 161 | 164.5 Ų | 164.5 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | -174.9 | 139.8 | 128.3 | -152.2 | 3 | 0 | 0 | 0 | 109.7 | |||||
| 236 | P | 30.1 | Very low | 30.2 | Very low | 98 Ų | 98 | 162.9 Ų | 162.9 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -117.5 | 113.1 | -173.5 | 36.1 | -22.3 | 0 | 0 | 0 | 115.5 | ||||
| 237 | R | 29 | Very low | 30 | Very low | 244 Ų | 244 | 162.2 Ų | 162.2 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -171 | 105.6 | 146.8 | -111.5 | 161.8 | -77 | -164.1 | -0.6 | 111.7 | ||||
| 238 | I | 30.8 | Very low | 29.8 | Very low | 169 Ų | 169 | 158.9 Ų | 158.9 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | -106.4 | 142.2 | 174 | -69.5 | 178.2 | 0 | 0 | 0 | 109.9 | L240 | I238-L240 PolarHBondContact O-N 3.48Š| ||
| 239 | E | 27.8 | Very low | 29.6 | Very low | 141 Ų | 141 | 157 Ų | 157 | 66% | 0.659 | 78% | 0.776 | S | S | * | * | trans | -62 | 123.4 | -177.7 | -59.6 | 175.7 | 166 | 0 | 0 | 112.8 | N241 | E239-N241 PolarHBondContact O-N 3.49Š| ||
| 240 | L | 30.2 | Very low | 29.5 | Very low | 152 Ų | 152 | 154.9 Ų | 154.9 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | -93.3 | 86.7 | 165.4 | -78.1 | 178.7 | 0 | 0 | 0 | 110.8 | I238 F242 | I238-L240 PolarHBondContact O-N 3.48Å; L240-F242 HydrophobicContact CD2-CD2 4.33Å; L240-F242 HydrophobicContact CD2-CE2 4.27Å; L240-F242 PolarHBondContact O-N 3.32Å; L240-F242 VanDerWaalsContact O-N 3.15Å | ||
| 241 | N | 26.5 | Very low | 29.5 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | -71.9 | 98.7 | 162.7 | -81.7 | -72.3 | 0 | 0 | 0 | 109.4 | E239 | E239-N241 PolarHBondContact O-N 3.49Š| ||
| 242 | F | 29.3 | Very low | 29.2 | Very low | 162 Ų | 162 | 150.7 Ų | 150.7 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -108.7 | 121.3 | 173.2 | -109 | -82.1 | 0 | 0 | 0 | 112.8 | L240 | L240-F242 HydrophobicContact CD2-CD2 4.33Å; L240-F242 HydrophobicContact CD2-CE2 4.27Å; L240-F242 PolarHBondContact O-N 3.32Å; L240-F242 VanDerWaalsContact O-N 3.15Å | ||
| 243 | L | 25.4 | Very low | 28.9 | Very low | 133 Ų | 133 | 150.2 Ų | 150.2 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | trans | -77 | 119.3 | 171.9 | -178.4 | 75.1 | 0 | 0 | 0 | 109.1 | Y714 | L243-Y714 WeakPolarHBondContact CD1-OH 3.41Š| ||
| 244 | C | 28.1 | Very low | 28.9 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | trans | -128.2 | 105.1 | 169.5 | -167.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 245 | N | 24.7 | Very low | 28.7 | Very low | 136 Ų | 136 | 145 Ų | 145 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -87.8 | 119.5 | 153 | -81.1 | -33.5 | 0 | 0 | 0 | 106.8 | ||||
| 246 | Q | 30.5 | Very low | 28.7 | Very low | 173 Ų | 173 | 143 Ų | 143 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | -140.8 | 129 | 160.9 | -161.6 | 159.3 | 82.8 | 0 | 0 | 111.3 | ||||
| 247 | I | 26.5 | Very low | 28.4 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | -93.2 | 139.2 | 176.4 | -70.4 | 166.1 | 0 | 0 | 0 | 107.6 | ||||
| 248 | N | 29.2 | Very low | 28.3 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | trans | 61.1 | 128.4 | 172.5 | -65.6 | -14.8 | 0 | 0 | 0 | 117.5 | ||||
| 249 | N | 31 | Very low | 28.3 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | -170.5 | 111 | 95.4 | -92.1 | -45.5 | 0 | 0 | 0 | 113.1 | |||||
| 250 | N | 31.4 | Very low | 28.1 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | trans | -109.1 | 91.8 | 141.3 | -78.3 | -28.5 | 0 | 0 | 0 | 104.9 | ||||
| 251 | A | 30.3 | Very low | 27.9 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | 74.3 | 78.4 | 77.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 252 | M | 29.2 | Very low | 28 | Very low | 196 Ų | 196 | 142.1 Ų | 142.1 | 97% | 0.966 | 76% | 0.76 | S | S | * | * | -162.1 | 157.1 | 124 | -106.3 | -176.5 | -177.3 | 0 | 0 | 112.2 | |||||
| 253 | I | 27.9 | Very low | 28 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | -121.4 | 148.5 | -164.3 | -58 | 157.9 | 0 | 0 | 0 | 105.8 | ||||
| 254 | S | 28 | Very low | 28.1 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | -170.9 | 164.1 | 54.6 | -160 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 255 | S | 26 | Very low | 28.1 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | 19.6 | 136.4 | 145 | 61.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 256 | S | 30.1 | Very low | 28.4 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | -157.9 | 164.3 | 58.8 | -171.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 257 | F | 24.7 | Very low | 28.4 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | trans | -92.3 | 170.3 | 174.7 | -111.3 | -106.3 | 0 | 0 | 0 | 113.1 | ||||
| 258 | N | 26.2 | Very low | 28.4 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | 73.5 | 147.8 | 172.8 | -54 | -17 | 0 | 0 | 0 | 114.9 | ||||
| 259 | D | 31 | Very low | 28.5 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | cis | -136.8 | 175.2 | 23.2 | -124.3 | -45.4 | 0 | 0 | 0 | 116.2 | ||||
| 260 | Y | 24.5 | Very low | 28.3 | Very low | 200 Ų | 200 | 141.1 Ų | 141.1 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | trans | -92.7 | 163.3 | -169.4 | -117.9 | -92.5 | 0 | 0 | 0 | 115.5 | ||||
| 261 | N | 25.1 | Very low | 28.3 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 75% | 0.749 | S | S | * | * | trans | 67.4 | 148 | 156.8 | -74.3 | -36.8 | 0 | 0 | 0 | 117.6 | ||||
| 262 | N | 28.5 | Very low | 28.2 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 65% | 0.652 | 76% | 0.757 | S | S | * | * | cis | -167.6 | 168.2 | 27.4 | -129.7 | -27.4 | 0 | 0 | 0 | 113.1 | ||||
| 263 | N | 29.6 | Very low | 28.3 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | 66.6 | 127.2 | 165.7 | -60.3 | -41.6 | 0 | 0 | 0 | 119.1 | ||||
| 264 | I | 27 | Very low | 28.4 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 67% | 0.672 | 75% | 0.751 | S | S | * | * | cis | 95 | 134.6 | 19 | -52.6 | 163.5 | 0 | 0 | 0 | 114.7 | ||||
| 265 | N | 30 | Very low | 28.3 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | 76.5 | 152 | 177 | -59.7 | -44 | 0 | 0 | 0 | 116.2 | ||||
| 266 | N | 29.5 | Very low | 28.4 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | cis | -172.2 | 166 | -13.4 | -110.6 | -31.8 | 0 | 0 | 0 | 109.3 | ||||
| 267 | S | 31.3 | Very low | 28.1 | Very low | 82 Ų | 82 | 143.9 Ų | 143.9 | 57% | 0.573 | 75% | 0.75 | S | S | * | * | cis | -167.4 | 155 | -16.7 | -133.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 268 | N | 26.6 | Very low | 28.2 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | trans | 37.7 | 125.2 | 147.2 | -57.7 | -22.7 | 0 | 0 | 0 | 124.2 | ||||
| 269 | R | 30 | Very low | 28.2 | Very low | 235 Ų | 235 | 141.1 Ų | 141.1 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | 174.8 | 115.5 | 126.8 | -96.3 | -171.6 | 167.9 | -147.6 | -6.2 | 109.5 | |||||
| 270 | T | 27.5 | Very low | 28 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | 78.4 | 102.5 | 54.5 | 67.8 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 271 | T | 32 | Very low | 28.1 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | 178.1 | 106 | 138.3 | 31.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 272 | E | 27.7 | Very low | 28.2 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | 69.6 | 114 | 93.2 | -74.3 | -169 | 122.2 | 0 | 0 | 116.3 | |||||
| 273 | T | 31.3 | Very low | 28 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | -177.6 | 114.8 | 126.7 | -75.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 274 | Q | 30.2 | Very low | 28 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | trans | 62.9 | 139.9 | 152.2 | -66 | 177.2 | 24.5 | 0 | 0 | 124.1 | ||||
| 275 | L | 25.8 | Very low | 28 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -76.6 | 178.6 | 171.7 | -113 | 75.8 | 0 | 0 | 0 | 111.5 | ||||
| 276 | P | 28.1 | Very low | 27.8 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | cis | -140.6 | 157.4 | 32.2 | 40.5 | -20.9 | 0 | 0 | 0 | 119.8 | ||||
| 277 | S | 23.8 | Very low | 27.6 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | -89.6 | 148.3 | 152.9 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 278 | L | 27.4 | Very low | 27.4 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | 169.6 | 108.1 | 161.8 | -92.4 | 156.9 | 0 | 0 | 0 | 105.1 | ||||
| 279 | T | 25.6 | Very low | 27.4 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | 54.7 | 140.3 | 72.7 | 66.5 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 280 | N | 27.1 | Very low | 27.3 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | 90.5 | 135.3 | -168.3 | -52.5 | -18.2 | 0 | 0 | 0 | 112.9 | ||||
| 281 | C | 26.9 | Very low | 27.4 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | cis | -116.7 | 154.1 | -3.8 | -63.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 282 | I | 26.5 | Very low | 27.1 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | cis | 78.1 | 105.2 | 40.2 | -59.6 | 176 | 0 | 0 | 0 | 113.5 | ||||
| 283 | S | 25 | Very low | 27.1 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | trans | 46.7 | 121.1 | 157.3 | 63.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 284 | E | 28.5 | Very low | 26.9 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | -172.5 | 106 | 109.8 | -97.1 | 176.7 | -157.9 | 0 | 0 | 107.2 | |||||
| 285 | S | 27 | Very low | 26.9 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | 53 | 98.3 | 77.1 | 72.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 286 | F | 26.7 | Very low | 27.1 | Very low | 177 Ų | 177 | 126.8 Ų | 126.8 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | -154.1 | 128.6 | 133.1 | -104.6 | -68.6 | 0 | 0 | 0 | 111.8 | L608 | F286-L608 HydrophobicContact CD2-CD1 4.38Å; F286-L608 HydrophobicContact CE2-CD1 4.16Å | ||
| 287 | L | 25.3 | Very low | 27.4 | Very low | 140 Ų | 140 | 128 Ų | 128 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | -104.4 | 127.6 | 166.9 | -81 | 164.7 | 0 | 0 | 0 | 109.1 | ||||
| 288 | S | 26.6 | Very low | 28.2 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | -169.9 | 111.2 | 155.1 | -70.9 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 289 | T | 27.5 | Very low | 28.9 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 71% | 0.712 | 73% | 0.73 | S | S | * | * | 49 | 78.8 | 52.2 | 72 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 290 | D | 27.9 | Very low | 29.9 | Very low | 158 Ų | 158 | 123.9 Ų | 123.9 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | -155.6 | 166.5 | 122.3 | -89 | -38.1 | 0 | 0 | 0 | 108.9 | |||||
| 291 | L | 28.1 | Very low | 30.9 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 67% | 0.67 | 71% | 0.709 | S | S | * | * | -175.4 | 132.2 | -60.6 | -160.3 | 76.1 | 0 | 0 | 0 | 103.8 | |||||
| 292 | M | 26.9 | Very low | 31.9 | Very low | 137 Ų | 137 | 118.3 Ų | 118.3 | 68% | 0.675 | 69% | 0.693 | S | S | * | * | trans | 65.1 | 129.8 | 166.2 | -48.7 | -132.1 | -177.8 | 0 | 0 | 117.2 | ||||
| 293 | T | 26.2 | Very low | 33.2 | Very low | 131 Ų | 131 | 112.6 Ų | 112.6 | 80% | 0.804 | 67% | 0.666 | S | S | * | * | cis | -147.4 | 116.1 | 10.7 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 294 | S | 27.2 | Very low | 34.6 | Very low | 118 Ų | 118 | 109.4 Ų | 109.4 | 83% | 0.825 | 65% | 0.646 | S | S | * | * | trans | -154.2 | 119.1 | 155.8 | 57 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 295 | S | 29.8 | Very low | 36.1 | Very low | 121 Ų | 121 | 104.5 Ų | 104.5 | 85% | 0.846 | 63% | 0.63 | S | S | * | * | trans | -90.6 | 129 | -174.8 | 56.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 296 | S | 31 | Very low | 37.7 | Very low | 102 Ų | 102 | 104.9 Ų | 104.9 | 71% | 0.713 | 63% | 0.625 | S | S | * | * | trans | 61.6 | 84.3 | 179.1 | -86.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 297 | I | 35.1 | Very low | 39.6 | Very low | 142 Ų | 142 | 97.4 Ų | 97.4 | 73% | 0.728 | 59% | 0.593 | S | S | * | * | trans | -108 | 118.6 | 132.9 | -68.5 | 175.4 | 0 | 0 | 0 | 105.7 | V301 | I297-V301 HydrophobicContact CG2-CB 4.31Š| ||
| 298 | D | 39.5 | Very low | 41.6 | Very low | 92 Ų | 92 | 97.1 Ų | 97.1 | 49% | 0.492 | 59% | 0.59 | S | S | . | * | trans | -68.2 | 144.4 | -174.7 | -60.9 | -69.7 | 0 | 0 | 0 | 112.2 | T300 V301 | D298-T300 PolarHBondContact O-N 3.08Å; D298-T300 VanDerWaalsContact O-N 3.12Å; D298-V301 HydrophobicContact CB-CG2 4.41Å; D298-V301 WeakPolarHBondContact O-CB 3.31Å; D298-V301 PolarHBondContact O-N 3.4Å | ||
| 299 | S | 41.7 | Very low | 43.7 | Very low | 104 Ų | 104 | 94.9 Ų | 94.9 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -56.6 | -27.2 | 172 | 53 | 0 | 0 | 0 | 0 | 112.3 | V301 A302 A303 | S299-V301 VanDerWaalsContact C-N 3.3Å; S299-V301 PolarHBondContact O-N 3.06Å; S299-A302 PolarHBondContact O-N 3.08Å; S299-A303 WeakPolarHBondContact O-CB 3.38Å; S299-A303 PolarHBondContact O-N 3.14Å |
| 300 | T | 46.8 | Very low | 45.6 | Very low | 78 Ų | 78 | 91.3 Ų | 91.3 | 48% | 0.479 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -56.4 | -38.4 | 169.9 | -46.3 | 0 | 0 | 0 | 0 | 112.9 | D298 A304 | D298-T300 PolarHBondContact O-N 3.08Å; D298-T300 VanDerWaalsContact O-N 3.12Å; T300-A304 WeakPolarHBondContact O-CB 3.38Å; T300-A304 PolarHBondContact O-N 3.02Å |
| 301 | V | 48.9 | Very low | 47.7 | Very low | 83 Ų | 83 | 86.8 Ų | 86.8 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.7 | -41.3 | -179.4 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | I297 D298 S299 A304 S305 | I297-V301 HydrophobicContact CG2-CB 4.31Å; D298-V301 HydrophobicContact CB-CG2 4.41Å; D298-V301 WeakPolarHBondContact O-CB 3.31Å; D298-V301 PolarHBondContact O-N 3.4Å; S299-V301 VanDerWaalsContact C-N 3.3Å; S299-V301 PolarHBondContact O-N 3.06Å; V301-A304 PolarHBondContact O-N 3.15Å; V301-S305 WeakPolarHBondContact O-CB 3.19Å; V301-S305 PolarHBondContact O-N 2.94Å |
| 302 | A | 46.5 | Very low | 49.7 | Very low | 54 Ų | 54 | 90.9 Ų | 90.9 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S299 S305 N306 | S299-A302 PolarHBondContact O-N 3.08Å; A302-S305 PolarHBondContact O-N 3.49Å; A302-N306 PolarHBondContact O-N 3.4Å |
| 303 | A | 53.9 | Low | 51.9 | Low | 19 Ų | 19 | 91.8 Ų | 91.8 | 16% | 0.157 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | S299 S305 N306 V307 | S299-A303 WeakPolarHBondContact O-CB 3.38Å; S299-A303 PolarHBondContact O-N 3.14Å; A303-S305 VanDerWaalsContact C-N 3.34Å; A303-S305 PolarHBondContact O-N 3.45Å; A303-N306 PolarHBondContact O-N 2.83Å; A303-V307 WeakPolarHBondContact O-CB 3.22Å; A303-V307 WeakPolarHBondContact O-CG2 3.37Å; A303-V307 PolarHBondContact O-N 2.96Å |
| 304 | A | 54.6 | Low | 54 | Low | 31 Ų | 31 | 89.6 Ų | 89.6 | 26% | 0.256 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T300 V301 V307 M308 | T300-A304 WeakPolarHBondContact O-CB 3.38Å; T300-A304 PolarHBondContact O-N 3.02Å; V301-A304 PolarHBondContact O-N 3.15Å; A304-V307 PolarHBondContact O-N 3.47Å; A304-M308 WeakPolarHBondContact O-CB 3.5Å; A304-M308 PolarHBondContact O-N 2.92Å |
| 305 | S | 59.9 | Low | 55.9 | Low | 64 Ų | 64 | 85.7 Ų | 85.7 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 173.1 | -170.9 | 0 | 0 | 0 | 0 | 111.2 | V301 A302 A303 V307 M308 S309 | V301-S305 WeakPolarHBondContact O-CB 3.19Å; V301-S305 PolarHBondContact O-N 2.94Å; A302-S305 PolarHBondContact O-N 3.49Å; A303-S305 VanDerWaalsContact C-N 3.34Å; A303-S305 PolarHBondContact O-N 3.45Å; S305-V307 PolarHBondContact O-N 3.17Å; S305-M308 PolarHBondContact O-N 3.5Å; S305-S309 PolarHBondContact O-N 3.08Å; S305-S309 PolarHBondContact O-OG 3.38Å; S305-S309 VanDerWaalsContact O-OG 3.12Å |
| 306 | N | 60.9 | Low | 57.5 | Low | 102 Ų | 102 | 85 Ų | 85 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 178.4 | -70.3 | -11.4 | 0 | 0 | 0 | 112.1 | A302 A303 S309 Y310 | A302-N306 PolarHBondContact O-N 3.4Å; A303-N306 PolarHBondContact O-N 2.83Å; N306-S309 PolarHBondContact O-N 3.01Å; N306-Y310 WeakPolarHBondContact O-CB 3.49Å; N306-Y310 PolarHBondContact O-N 3.19Å |
| 307 | V | 66.6 | Low | 58.9 | Low | 19 Ų | 19 | 83.1 Ų | 83.1 | 12% | 0.115 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 175.5 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | A303 A304 S305 Y310 I311 L331 | A303-V307 WeakPolarHBondContact O-CB 3.22Å; A303-V307 WeakPolarHBondContact O-CG2 3.37Å; A303-V307 PolarHBondContact O-N 2.96Å; A304-V307 PolarHBondContact O-N 3.47Å; S305-V307 PolarHBondContact O-N 3.17Å; V307-Y310 PolarHBondContact O-N 3.34Å; V307-I311 HydrophobicContact CG1-CD1 3.76Å; V307-I311 HydrophobicContact CG1-CG1 4.43Å; V307-I311 VanDerWaalsContact O-CG1 3.3Å; V307-I311 WeakPolarHBondContact O-CG1 3.11Å; V307-I311 PolarHBondContact O-N 3.26Å; V307-L331 HydrophobicContact CG2-CD1 3.87Å; V307-L331 HydrophobicContact CG2-CD2 4.27Å; V307-L331 HydrophobicContact CG2-CG 4.15Å |
| 308 | M | 67.9 | Low | 60 | Low | 134 Ų | 134 | 81.9 Ų | 81.9 | 66% | 0.66 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.3 | -41.7 | 172.8 | -81.2 | -138.5 | -68.5 | 0 | 0 | 112.1 | A304 S305 Y310 I311 Y312 | A304-M308 WeakPolarHBondContact O-CB 3.5Å; A304-M308 PolarHBondContact O-N 2.92Å; S305-M308 PolarHBondContact O-N 3.5Å; M308-Y310 VanDerWaalsContact C-N 3.31Å; M308-Y310 PolarHBondContact O-N 2.93Å; M308-I311 PolarHBondContact O-N 3.26Å; M308-Y312 VanDerWaalsContact O-CB 3.26Å; M308-Y312 WeakPolarHBondContact O-CB 3.36Å; M308-Y312 PolarHBondContact O-N 3.27Å |
| 309 | S | 70.6 | Confident | 60.4 | Low | 60 Ų | 60 | 86.2 Ų | 86.2 | 42% | 0.42 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 173.6 | -63.5 | 0 | 0 | 0 | 0 | 112.2 | S305 N306 Y312 Q313 | S305-S309 PolarHBondContact O-N 3.08Å; S305-S309 PolarHBondContact O-OG 3.38Å; S305-S309 VanDerWaalsContact O-OG 3.12Å; N306-S309 PolarHBondContact O-N 3.01Å; S309-Y312 PolarHBondContact O-N 3.32Å; S309-Q313 WeakPolarHBondContact O-CB 3.35Å; S309-Q313 WeakPolarHBondContact O-CG 3.36Å; S309-Q313 PolarHBondContact O-N 3.48Å |
| 310 | Y | 67.8 | Low | 60.9 | Low | 40 Ų | 40 | 83.2 Ų | 83.2 | 16% | 0.157 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 175.6 | -167.6 | -85.6 | 0 | 0 | 0 | 112.2 | N306 V307 M308 Y312 Q313 N314 L317 Q324 L325 L328 | N306-Y310 WeakPolarHBondContact O-CB 3.49Å; N306-Y310 PolarHBondContact O-N 3.19Å; V307-Y310 PolarHBondContact O-N 3.34Å; M308-Y310 VanDerWaalsContact C-N 3.31Å; M308-Y310 PolarHBondContact O-N 2.93Å; Y310-Y312 VanDerWaalsContact C-N 3.34Å; Y310-Q313 PolarHBondContact O-N 2.91Å; Y310-N314 HydrophobicContact CD1-CB 4.24Å; Y310-N314 WeakPolarHBondContact CD2-ND2 3.48Å; Y310-N314 HydrophobicContact CE1-CB 4Å; Y310-N314 WeakPolarHBondContact CE2-ND2 3.33Å; Y310-N314 WeakPolarHBondContact O-CB 3.46Å; Y310-N314 PolarHBondContact O-N 3.11Å; Y310-N314 PolarHBondContact O-ND2 3.32Å; Y310-L317 HydrophobicContact CD1-CD2 4.11Å; Y310-L317 HydrophobicContact CE1-CD2 4.27Å; Y310-Q324 PolarHBondContact OH-OE1 3.44Å; Y310-L325 HydrophobicContact CD1-CD1 3.93Å; Y310-L325 HydrophobicContact CD1-CD2 4.06Å; Y310-L325 HydrophobicContact CD1-CG 4.14Å; Y310-L325 HydrophobicContact CD2-CD2 3.84Å; Y310-L325 HydrophobicContact CE1-CD1 4.04Å; Y310-L325 HydrophobicContact CE1-CD2 4.21Å; Y310-L325 HydrophobicContact CE1-CG 3.96Å; Y310-L325 HydrophobicContact CE2-CD2 3.98Å; Y310-L325 HydrophobicContact CE2-CG 4.43Å; Y310-L325 HydrophobicContact CG-CD1 4.48Å; Y310-L325 HydrophobicContact CG-CD2 3.87Å; Y310-L325 HydrophobicContact CG-CG 4.46Å; Y310-L328 HydrophobicContact CE2-CD1 4.48Å |
| 311 | I | 72 | Confident | 61.3 | Low | 64 Ų | 64 | 81.3 Ų | 81.3 | 33% | 0.328 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 176.4 | -68.7 | 167.2 | 0 | 0 | 0 | 110.9 | V307 M308 Q313 G315 L317 | V307-I311 HydrophobicContact CG1-CD1 3.76Å; V307-I311 HydrophobicContact CG1-CG1 4.43Å; V307-I311 VanDerWaalsContact O-CG1 3.3Å; V307-I311 WeakPolarHBondContact O-CG1 3.11Å; V307-I311 PolarHBondContact O-N 3.26Å; M308-I311 PolarHBondContact O-N 3.26Å; I311-Q313 VanDerWaalsContact C-N 3.31Å; I311-Q313 PolarHBondContact O-N 2.92Å; I311-G315 WeakPolarHBondContact CA-O 3.37Å; I311-G315 CarbonylContact O-C 3.56Å; I311-G315 VanDerWaalsContact O-CA 3.25Å; I311-G315 WeakPolarHBondContact O-CA 3.45Å; I311-G315 PolarHBondContact O-N 2.84Å; I311-L317 HydrophobicContact CD1-CD1 4.12Å; I311-L317 HydrophobicContact CD1-CG 4.15Å; I311-L317 HydrophobicContact CG1-CD1 4.32Å; I311-L317 HydrophobicContact CG1-CD2 3.98Å; I311-L317 HydrophobicContact CG1-CG 3.94Å |
| 312 | Y | 70.4 | Confident | 61.8 | Low | 214 Ų | 214 | 78.9 Ų | 78.9 | 84% | 0.839 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69 | -28.4 | 177.7 | -159.4 | -87.8 | 0 | 0 | 0 | 112.8 | M308 S309 Y310 | M308-Y312 VanDerWaalsContact O-CB 3.26Å; M308-Y312 WeakPolarHBondContact O-CB 3.36Å; M308-Y312 PolarHBondContact O-N 3.27Å; S309-Y312 PolarHBondContact O-N 3.32Å; Y310-Y312 VanDerWaalsContact C-N 3.34Å |
| 313 | Q | 71.8 | Confident | 62.4 | Low | 156 Ų | 156 | 81.5 Ų | 81.5 | 73% | 0.729 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -88.8 | -37 | 176.4 | -72.7 | 179.2 | -7 | 0 | 0 | 113.7 | S309 Y310 I311 | S309-Q313 WeakPolarHBondContact O-CB 3.35Å; S309-Q313 WeakPolarHBondContact O-CG 3.36Å; S309-Q313 PolarHBondContact O-N 3.48Å; Y310-Q313 PolarHBondContact O-N 2.91Å; I311-Q313 VanDerWaalsContact C-N 3.31Å; I311-Q313 PolarHBondContact O-N 2.92Å |
| 314 | N | 70.6 | Confident | 62.5 | Low | 85 Ų | 85 | 85.7 Ų | 85.7 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -116 | 1.1 | -168.4 | -57.2 | -59.7 | 0 | 0 | 0 | 114.4 | Y310 | Y310-N314 HydrophobicContact CD1-CB 4.24Å; Y310-N314 WeakPolarHBondContact CD2-ND2 3.48Å; Y310-N314 HydrophobicContact CE1-CB 4Å; Y310-N314 WeakPolarHBondContact CE2-ND2 3.33Å; Y310-N314 WeakPolarHBondContact O-CB 3.46Å; Y310-N314 PolarHBondContact O-N 3.11Å; Y310-N314 PolarHBondContact O-ND2 3.32Å |
| 315 | G | 68.5 | Low | 62.7 | Low | 36 Ų | 36 | 84.6 Ų | 84.6 | 37% | 0.371 | 45% | 0.446 | S | S | . | . | trans | 78.1 | -165.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I311 | I311-G315 WeakPolarHBondContact CA-O 3.37Å; I311-G315 CarbonylContact O-C 3.56Å; I311-G315 VanDerWaalsContact O-CA 3.25Å; I311-G315 WeakPolarHBondContact O-CA 3.45Å; I311-G315 PolarHBondContact O-N 2.84Å | ||
| 316 | S | 62.4 | Low | 62.6 | Low | 107 Ų | 107 | 86.5 Ų | 86.5 | 75% | 0.748 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -64 | 149.7 | -176.5 | -165.8 | 0 | 0 | 0 | 0 | 112.8 | N318 N321 | S316-N318 PolarHBondContact O-N 3.49Å; S316-N321 PolarHBondContact O-ND2 3Å |
| 317 | L | 60.5 | Low | 62.4 | Low | 61 Ų | 61 | 88 Ų | 88 | 32% | 0.319 | 45% | 0.453 | S | S | . | . | trans | -79 | 91 | -174.7 | -62 | -176.5 | 0 | 0 | 0 | 112 | Y310 I311 N321 T322 L325 | Y310-L317 HydrophobicContact CD1-CD2 4.11Å; Y310-L317 HydrophobicContact CE1-CD2 4.27Å; I311-L317 HydrophobicContact CD1-CD1 4.12Å; I311-L317 HydrophobicContact CD1-CG 4.15Å; I311-L317 HydrophobicContact CG1-CD1 4.32Å; I311-L317 HydrophobicContact CG1-CD2 3.98Å; I311-L317 HydrophobicContact CG1-CG 3.94Å; L317-N321 HydrophobicContact CD2-CB 4.36Å; L317-T322 HydrophobicContact CB-CG2 4.06Å; L317-L325 HydrophobicContact CD1-CD1 4.11Å; L317-L325 HydrophobicContact CD2-CD1 3.63Å | ||
| 318 | N | 58.4 | Low | 61.7 | Low | 116 Ų | 116 | 91.8 Ų | 91.8 | 62% | 0.62 | 47% | 0.473 | S | S | * | . | trans | -73.9 | 164.8 | 166.9 | -163.7 | -2.5 | 0 | 0 | 0 | 111.2 | S316 G320 N321 T322 | S316-N318 PolarHBondContact O-N 3.49Å; N318-G320 VanDerWaalsContact C-N 3.32Å; N318-G320 PolarHBondContact O-N 3.22Å; N318-N321 PolarHBondContact N-ND2 3.09Å; N318-N321 WeakPolarHBondContact O-CA 3.42Å; N318-N321 VanDerWaalsContact O-CB 3.27Å; N318-N321 WeakPolarHBondContact O-CB 3.38Å; N318-N321 PolarHBondContact O-N 3.3Å; N318-T322 PolarHBondContact O-N 3.05Å; N318-T322 VanDerWaalsContact O-N 3.1Å | ||
| 319 | Y | 47.7 | Very low | 60.9 | Low | 183 Ų | 183 | 92.9 Ų | 92.9 | 72% | 0.718 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -53.9 | -43.2 | -174.9 | -157.1 | -88.7 | 0 | 0 | 0 | 112.9 | N321 T322 E323 | Y319-N321 VanDerWaalsContact C-N 3.35Å; Y319-N321 PolarHBondContact O-N 3.44Å; Y319-T322 PolarHBondContact O-N 3.11Å; Y319-T322 PolarHBondContact O-OG1 2.92Å; Y319-E323 PolarHBondContact O-N 3.49Å |
| 320 | G | 51.7 | Low | 59.6 | Low | 42 Ų | 42 | 93.3 Ų | 93.3 | 43% | 0.433 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.4 | -31.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N318 T322 E323 Q324 | N318-G320 VanDerWaalsContact C-N 3.32Å; N318-G320 PolarHBondContact O-N 3.22Å; G320-T322 VanDerWaalsContact C-N 3.32Å; G320-E323 PolarHBondContact O-N 2.93Å; G320-Q324 PolarHBondContact O-N 3.42Å |
| 321 | N | 55.8 | Low | 58.4 | Low | 38 Ų | 38 | 92.8 Ų | 92.8 | 20% | 0.203 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -69.9 | -34.5 | 178.5 | -47.4 | 17 | 0 | 0 | 0 | 110.2 | S316 L317 N318 Y319 Q324 L325 | S316-N321 PolarHBondContact O-ND2 3Å; L317-N321 HydrophobicContact CD2-CB 4.36Å; N318-N321 PolarHBondContact N-ND2 3.09Å; N318-N321 WeakPolarHBondContact O-CA 3.42Å; N318-N321 VanDerWaalsContact O-CB 3.27Å; N318-N321 WeakPolarHBondContact O-CB 3.38Å; N318-N321 PolarHBondContact O-N 3.3Å; Y319-N321 VanDerWaalsContact C-N 3.35Å; Y319-N321 PolarHBondContact O-N 3.44Å; N321-Q324 PolarHBondContact O-N 3.21Å; N321-L325 PolarHBondContact O-N 3.44Å; N321-L325 VanDerWaalsContact O-N 3.14Å |
| 322 | T | 58.6 | Low | 57.3 | Low | 32 Ų | 32 | 94.3 Ų | 94.3 | 20% | 0.196 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -71.9 | -25.6 | 176.9 | 68 | 0 | 0 | 0 | 0 | 113.4 | L317 N318 Y319 G320 K326 | L317-T322 HydrophobicContact CB-CG2 4.06Å; N318-T322 PolarHBondContact O-N 3.05Å; N318-T322 VanDerWaalsContact O-N 3.1Å; Y319-T322 PolarHBondContact O-N 3.11Å; Y319-T322 PolarHBondContact O-OG1 2.92Å; G320-T322 VanDerWaalsContact C-N 3.32Å; T322-K326 VanDerWaalsContact O-CG 3.27Å; T322-K326 WeakPolarHBondContact O-CG 3.39Å; T322-K326 PolarHBondContact O-N 2.94Å; T322-K326 VanDerWaalsContact O-N 3.15Å |
| 323 | E | 59.9 | Low | 56.1 | Low | 109 Ų | 109 | 89 Ų | 89 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.9 | -41.9 | 168.8 | -74.2 | -144.1 | 127.7 | 0 | 0 | 112.5 | Y319 G320 L325 K326 N327 | Y319-E323 PolarHBondContact O-N 3.49Å; G320-E323 PolarHBondContact O-N 2.93Å; E323-L325 VanDerWaalsContact C-N 3.28Å; E323-L325 PolarHBondContact O-N 3.01Å; E323-K326 WeakPolarHBondContact O-CB 3.28Å; E323-K326 PolarHBondContact O-N 3.22Å; E323-K326 VanDerWaalsContact O-N 3.15Å; E323-N327 PolarHBondContact O-N 2.83Å; E323-N327 PolarHBondContact O-ND2 3.18Å |
| 324 | Q | 55.9 | Low | 54.8 | Low | 106 Ų | 106 | 85.8 Ų | 85.8 | 50% | 0.495 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58 | -43 | 175.4 | -67.5 | 172.5 | -12.3 | 0 | 0 | 111.2 | Y310 G320 N321 N327 L328 | Y310-Q324 PolarHBondContact OH-OE1 3.44Å; G320-Q324 PolarHBondContact O-N 3.42Å; N321-Q324 PolarHBondContact O-N 3.21Å; Q324-N327 PolarHBondContact O-N 2.98Å; Q324-L328 WeakPolarHBondContact O-CG 3.15Å; Q324-L328 PolarHBondContact O-N 2.9Å |
| 325 | L | 58.8 | Low | 53.9 | Low | 9 Ų | 9 | 83.1 Ų | 83.1 | 5% | 0.047 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.3 | -32.4 | 175.7 | -80.5 | 174.9 | 0 | 0 | 0 | 114.4 | Y310 L317 N321 E323 L331 | Y310-L325 HydrophobicContact CD1-CD1 3.93Å; Y310-L325 HydrophobicContact CD1-CD2 4.06Å; Y310-L325 HydrophobicContact CD1-CG 4.14Å; Y310-L325 HydrophobicContact CD2-CD2 3.84Å; Y310-L325 HydrophobicContact CE1-CD1 4.04Å; Y310-L325 HydrophobicContact CE1-CD2 4.21Å; Y310-L325 HydrophobicContact CE1-CG 3.96Å; Y310-L325 HydrophobicContact CE2-CD2 3.98Å; Y310-L325 HydrophobicContact CE2-CG 4.43Å; Y310-L325 HydrophobicContact CG-CD1 4.48Å; Y310-L325 HydrophobicContact CG-CD2 3.87Å; Y310-L325 HydrophobicContact CG-CG 4.46Å; L317-L325 HydrophobicContact CD1-CD1 4.11Å; L317-L325 HydrophobicContact CD2-CD1 3.63Å; N321-L325 PolarHBondContact O-N 3.44Å; N321-L325 VanDerWaalsContact O-N 3.14Å; E323-L325 VanDerWaalsContact C-N 3.28Å; E323-L325 PolarHBondContact O-N 3.01Å; L325-L331 HydrophobicContact CB-CD1 3.86Å; L325-L331 HydrophobicContact CD1-CD1 4.07Å; L325-L331 HydrophobicContact CD2-CD1 4.31Å; L325-L331 HydrophobicContact CG-CD1 4.32Å |
| 326 | K | 57.8 | Low | 52.6 | Low | 103 Ų | 103 | 83.3 Ų | 83.3 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.9 | -45.3 | 170.4 | -72 | 164.4 | -171.7 | 167.9 | 0 | 111.1 | T322 E323 L328 N329 | T322-K326 VanDerWaalsContact O-CG 3.27Å; T322-K326 WeakPolarHBondContact O-CG 3.39Å; T322-K326 PolarHBondContact O-N 2.94Å; T322-K326 VanDerWaalsContact O-N 3.15Å; E323-K326 WeakPolarHBondContact O-CB 3.28Å; E323-K326 PolarHBondContact O-N 3.22Å; E323-K326 VanDerWaalsContact O-N 3.15Å; K326-L328 PolarHBondContact O-N 2.89Å; K326-N329 PolarHBondContact O-N 3.15Å |
| 327 | N | 57.1 | Low | 51.5 | Low | 133 Ų | 133 | 82.1 Ų | 82.1 | 71% | 0.711 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.7 | -16.4 | -177.6 | -72.8 | -28.4 | 0 | 0 | 0 | 114.1 | E323 Q324 | E323-N327 PolarHBondContact O-N 2.83Å; E323-N327 PolarHBondContact O-ND2 3.18Å; Q324-N327 PolarHBondContact O-N 2.98Å |
| 328 | L | 51.8 | Low | 50.6 | Low | 100 Ų | 100 | 85.8 Ų | 85.8 | 52% | 0.524 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -1.2 | 178.3 | -74.6 | 166.9 | 0 | 0 | 0 | 114.5 | Y310 Q324 K326 C330 | Y310-L328 HydrophobicContact CE2-CD1 4.48Å; Q324-L328 WeakPolarHBondContact O-CG 3.15Å; Q324-L328 PolarHBondContact O-N 2.9Å; K326-L328 PolarHBondContact O-N 2.89Å; L328-C330 HydrophobicContact CB-CB 4.36Å; L328-C330 PolarHBondContact O-N 2.98Å; L328-C330 PolarHBondContact O-SG 3.24Å |
| 329 | N | 51.4 | Low | 49.6 | Very low | 157 Ų | 157 | 85.4 Ų | 85.4 | 84% | 0.84 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 5.6 | -170.3 | -74.8 | -43.8 | 0 | 0 | 0 | 115.4 | K326 L331 | K326-N329 PolarHBondContact O-N 3.15Å; N329-L331 VanDerWaalsContact C-N 3.26Å; N329-L331 PolarHBondContact O-N 3.33Å |
| 330 | C | 43 | Very low | 49 | Very low | 68 Ų | 68 | 82.2 Ų | 82.2 | 46% | 0.459 | 42% | 0.423 | S | S | . | . | trans | -74.9 | -8.1 | -176.8 | -68.7 | 0 | 0 | 0 | 0 | 114.7 | L328 | L328-C330 HydrophobicContact CB-CB 4.36Å; L328-C330 PolarHBondContact O-N 2.98Å; L328-C330 PolarHBondContact O-SG 3.24Å | ||
| 331 | L | 43.1 | Very low | 48.4 | Very low | 29 Ų | 29 | 85.2 Ų | 85.2 | 15% | 0.152 | 44% | 0.438 | C | S | . | . | trans | -135.2 | 113.8 | -173.7 | -96.5 | 153.1 | 0 | 0 | 0 | 111.1 | V307 L325 N329 T335 L336 | V307-L331 HydrophobicContact CG2-CD1 3.87Å; V307-L331 HydrophobicContact CG2-CD2 4.27Å; V307-L331 HydrophobicContact CG2-CG 4.15Å; L325-L331 HydrophobicContact CB-CD1 3.86Å; L325-L331 HydrophobicContact CD1-CD1 4.07Å; L325-L331 HydrophobicContact CD2-CD1 4.31Å; L325-L331 HydrophobicContact CG-CD1 4.32Å; N329-L331 VanDerWaalsContact C-N 3.26Å; N329-L331 PolarHBondContact O-N 3.33Å; L331-T335 HydrophobicContact CD2-CG2 4.27Å; L331-L336 HydrophobicContact CD2-CG 4.4Å | ||
| 332 | N | 47.8 | Very low | 47.4 | Very low | 96 Ų | 96 | 87.7 Ų | 87.7 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | trans | -69.4 | 134.9 | 166.6 | -172.1 | -34.2 | 0 | 0 | 0 | 108.8 | R334 T335 L336 | N332-R334 PolarHBondContact O-N 2.8Å; N332-R334 VanDerWaalsContact O-N 3.13Å; N332-R334 WeakPolarHBondContact OD1-CB 3.29Å; N332-R334 PolarHBondContact OD1-N 3.07Å; N332-T335 WeakPolarHBondContact O-CA 3.25Å; N332-T335 WeakPolarHBondContact O-CB 3.42Å; N332-T335 PolarHBondContact O-N 3.32Å; N332-L336 PolarHBondContact O-N 3.4Å; N332-L336 VanDerWaalsContact O-N 3.09Å | ||
| 333 | I | 45.1 | Very low | 46 | Very low | 104 Ų | 104 | 94.3 Ų | 94.3 | 53% | 0.533 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -54.3 | -32.9 | 176.6 | -65.1 | 172.3 | 0 | 0 | 0 | 111.2 | T335 L336 N337 | I333-T335 PolarHBondContact O-N 2.86Å; I333-L336 PolarHBondContact O-N 3.3Å; I333-N337 WeakPolarHBondContact O-CB 3.34Å; I333-N337 PolarHBondContact O-N 2.9Å |
| 334 | R | 46 | Very low | 44.6 | Very low | 87 Ų | 87 | 95.4 Ų | 95.4 | 33% | 0.328 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 172 | 170.3 | 164.9 | -80 | 148.4 | -7.4 | 113 | N332 H338 A1197 S1201 | N332-R334 PolarHBondContact O-N 2.8Å; N332-R334 VanDerWaalsContact O-N 3.13Å; N332-R334 WeakPolarHBondContact OD1-CB 3.29Å; N332-R334 PolarHBondContact OD1-N 3.07Å; R334-H338 WeakPolarHBondContact O-CB 3.3Å; R334-H338 PolarHBondContact O-N 3.49Å; R334-A1197 VanDerWaalsContact CZ-O 3.26Å; R334-A1197 PolarHBondContact NH1-O 2.98Å; R334-A1197 PolarHBondContact NH2-O 3.18Å; R334-S1201 VanDerWaalsContact NH2-CB 3.31Å; R334-S1201 PolarHBondContact NH2-OG 2.79Å |
| 335 | T | 50.9 | Low | 43.2 | Very low | 30 Ų | 30 | 96.6 Ų | 96.6 | 18% | 0.184 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -67.1 | -44.4 | 176.1 | -49.5 | 0 | 0 | 0 | 0 | 110.2 | L331 N332 I333 N337 H338 W339 | L331-T335 HydrophobicContact CD2-CG2 4.27Å; N332-T335 WeakPolarHBondContact O-CA 3.25Å; N332-T335 WeakPolarHBondContact O-CB 3.42Å; N332-T335 PolarHBondContact O-N 3.32Å; I333-T335 PolarHBondContact O-N 2.86Å; T335-N337 PolarHBondContact O-N 3.3Å; T335-H338 PolarHBondContact O-N 2.82Å; T335-W339 PolarHBondContact O-N 3.37Å |
| 336 | L | 41 | Very low | 41.8 | Very low | 39 Ų | 39 | 103.3 Ų | 103.3 | 20% | 0.204 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 178.7 | -133.8 | 167.1 | 0 | 0 | 0 | 111.6 | L331 N332 I333 W339 N340 | L331-L336 HydrophobicContact CD2-CG 4.4Å; N332-L336 PolarHBondContact O-N 3.4Å; N332-L336 VanDerWaalsContact O-N 3.09Å; I333-L336 PolarHBondContact O-N 3.3Å; L336-W339 PolarHBondContact O-N 2.98Å; L336-N340 VanDerWaalsContact O-CG 3.22Å; L336-N340 PolarHBondContact O-N 3Å; L336-N340 PolarHBondContact O-ND2 2.98Å |
| 337 | N | 38.5 | Very low | 40.3 | Very low | 82 Ų | 82 | 104.4 Ų | 104.4 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70 | -31.5 | 176.2 | -71.5 | -3 | 0 | 0 | 0 | 113 | I333 T335 N340 S341 | I333-N337 WeakPolarHBondContact O-CB 3.34Å; I333-N337 PolarHBondContact O-N 2.9Å; T335-N337 PolarHBondContact O-N 3.3Å; N337-N340 PolarHBondContact O-N 3.38Å; N337-S341 PolarHBondContact O-N 2.86Å; N337-S341 VanDerWaalsContact O-N 3.15Å; N337-S341 PolarHBondContact O-OG 2.93Å |
| 338 | H | 41.5 | Very low | 38.9 | Very low | 138 Ų | 138 | 101.7 Ų | 101.7 | 64% | 0.639 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.5 | -35.1 | 173.5 | -150 | 67.9 | 0 | 0 | 0 | 111.7 | R334 T335 S341 L342 | R334-H338 WeakPolarHBondContact O-CB 3.3Å; R334-H338 PolarHBondContact O-N 3.49Å; T335-H338 PolarHBondContact O-N 2.82Å; H338-S341 PolarHBondContact O-N 3.37Å; H338-L342 PolarHBondContact O-N 2.81Å |
| 339 | W | 39.1 | Very low | 37.8 | Very low | 108 Ų | 108 | 102.2 Ų | 102.2 | 41% | 0.409 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.3 | -37 | 169.3 | -85.6 | 77.6 | 0 | 0 | 0 | 112.6 | T335 L336 S341 L342 F344 | T335-W339 PolarHBondContact O-N 3.37Å; L336-W339 PolarHBondContact O-N 2.98Å; W339-S341 PolarHBondContact O-N 3.43Å; W339-L342 PolarHBondContact O-N 2.88Å; W339-F344 HydrophobicContact CE3-CD2 4.45Å; W339-F344 HydrophobicContact CE3-CE2 4.19Å; W339-F344 HydrophobicContact CH2-CE2 4.26Å; W339-F344 HydrophobicContact CZ3-CD2 4.16Å; W339-F344 AromaticContact CZ3-CE2 3.8Å; W339-F344 HydrophobicContact CZ3-CE2 3.8Å |
| 340 | N | 34.8 | Very low | 36.6 | Very low | 116 Ų | 116 | 102.2 Ų | 102.2 | 62% | 0.62 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69 | -14.7 | 174.7 | -66.8 | -21.8 | 0 | 0 | 0 | 113.9 | L336 N337 | L336-N340 VanDerWaalsContact O-CG 3.22Å; L336-N340 PolarHBondContact O-N 3Å; L336-N340 PolarHBondContact O-ND2 2.98Å; N337-N340 PolarHBondContact O-N 3.38Å |
| 341 | S | 38.4 | Very low | 35.9 | Very low | 105 Ų | 105 | 105.5 Ų | 105.5 | 73% | 0.734 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 0.5 | 169 | -62.3 | 0 | 0 | 0 | 0 | 113.5 | N337 H338 W339 | N337-S341 PolarHBondContact O-N 2.86Å; N337-S341 VanDerWaalsContact O-N 3.15Å; N337-S341 PolarHBondContact O-OG 2.93Å; H338-S341 PolarHBondContact O-N 3.37Å; W339-S341 PolarHBondContact O-N 3.43Å |
| 342 | L | 34.5 | Very low | 35.3 | Very low | 90 Ų | 90 | 112.7 Ų | 112.7 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | trans | -101.6 | 88.3 | 171.2 | -81.9 | 164.1 | 0 | 0 | 0 | 109.1 | H338 W339 F344 | H338-L342 PolarHBondContact O-N 2.81Å; W339-L342 PolarHBondContact O-N 2.88Å; L342-F344 HydrophobicContact CB-CD2 4.19Å; L342-F344 HydrophobicContact CB-CE2 4.08Å; L342-F344 HydrophobicContact CD1-CE2 4.41Å; L342-F344 PolarHBondContact O-N 2.88Å | ||
| 343 | E | 29.1 | Very low | 34.3 | Very low | 171 Ų | 171 | 115.9 Ų | 115.9 | 80% | 0.799 | 61% | 0.614 | S | S | * | * | trans | -63.2 | 89.1 | 162.9 | -74.7 | -165.1 | 144.8 | 0 | 0 | 109.7 | N345 | E343-N345 PolarHBondContact O-N 3.06Š| ||
| 344 | F | 30.4 | Very low | 33.4 | Very low | 133 Ų | 133 | 117.2 Ų | 117.2 | 58% | 0.583 | 63% | 0.627 | S | S | * | * | trans | -66.9 | 89.1 | 162.1 | -83.9 | -80.9 | 0 | 0 | 0 | 108.4 | W339 L342 L346 | W339-F344 HydrophobicContact CE3-CD2 4.45Å; W339-F344 HydrophobicContact CE3-CE2 4.19Å; W339-F344 HydrophobicContact CH2-CE2 4.26Å; W339-F344 HydrophobicContact CZ3-CD2 4.16Å; W339-F344 AromaticContact CZ3-CE2 3.8Å; W339-F344 HydrophobicContact CZ3-CE2 3.8Å; L342-F344 HydrophobicContact CB-CD2 4.19Å; L342-F344 HydrophobicContact CB-CE2 4.08Å; L342-F344 HydrophobicContact CD1-CE2 4.41Å; L342-F344 PolarHBondContact O-N 2.88Å; F344-L346 PolarHBondContact O-N 3.19Å | ||
| 345 | N | 26.7 | Very low | 32.6 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 70% | 0.701 | 65% | 0.651 | S | S | * | * | trans | -72.2 | 77.1 | -177.3 | -144.5 | -39.8 | 0 | 0 | 0 | 110.4 | E343 N347 | E343-N345 PolarHBondContact O-N 3.06Å; N345-N347 VanDerWaalsContact C-N 3.35Å | ||
| 346 | L | 29.8 | Very low | 31.5 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | trans | -92.6 | 7.4 | 176.6 | -77 | 172.1 | 0 | 0 | 0 | 112.6 | F344 G348 | F344-L346 PolarHBondContact O-N 3.19Å; L346-G348 VanDerWaalsContact C-N 3.32Å; L346-G348 PolarHBondContact O-N 2.73Å | ||
| 347 | N | 27.2 | Very low | 30.8 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | trans | -84.4 | 75.4 | 175.5 | -84.4 | 21.7 | 0 | 0 | 0 | 111.5 | N345 S349 | N345-N347 VanDerWaalsContact C-N 3.35Å; N347-S349 PolarHBondContact O-N 3.14Å | ||
| 348 | G | 27 | Very low | 30.2 | Very low | 77 Ų | 77 | 136.4 Ų | 136.4 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | trans | -67.8 | 72.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L346 | L346-G348 VanDerWaalsContact C-N 3.32Å; L346-G348 PolarHBondContact O-N 2.73Å | ||
| 349 | S | 27.8 | Very low | 29.4 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 49.3 | 75.6 | 163 | -176.2 | 0 | 0 | 0 | 0 | 117.7 | N347 | N347-S349 PolarHBondContact O-N 3.14Š|
| 350 | I | 27.6 | Very low | 28.9 | Very low | 157 Ų | 157 | 138 Ų | 138 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | trans | -127.3 | 104.9 | 142.7 | -79.5 | 178.6 | 0 | 0 | 0 | 106.9 | ||||
| 351 | D | 28.6 | Very low | 28.4 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | -161.1 | 99.2 | 163.8 | -118.4 | -36.6 | 0 | 0 | 0 | 111.9 | ||||
| 352 | Q | 30.1 | Very low | 27.8 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -166.4 | 142.4 | 144.5 | -116.9 | 167.6 | 90.9 | 0 | 0 | 110.3 | ||
| 353 | L | 26.6 | Very low | 27.5 | Very low | 162 Ų | 162 | 146.5 Ų | 146.5 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | 70.8 | 64 | 168.2 | -55.4 | 171.7 | 0 | 0 | 0 | 118.2 | ||||
| 354 | T | 27.1 | Very low | 27.7 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -131.4 | 90 | 142.3 | 50.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 355 | N | 27.2 | Very low | 27.5 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -174.6 | 98.2 | 148.4 | -101.4 | -26.9 | 0 | 0 | 0 | 111.4 | ||||
| 356 | Y | 27.9 | Very low | 27.6 | Very low | 238 Ų | 238 | 143.1 Ų | 143.1 | 93% | 0.933 | 77% | 0.769 | S | S | * | * | trans | -157.6 | 128.9 | 136.2 | -119.6 | -75.4 | 0 | 0 | 0 | 109.8 | ||||
| 357 | T | 27.9 | Very low | 27.5 | Very low | 104 Ų | 104 | 141 Ų | 141 | 64% | 0.638 | 76% | 0.763 | S | S | * | * | trans | -97 | 147.9 | -175 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 358 | N | 25.4 | Very low | 27.7 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | 71.1 | 125.1 | 152.2 | -63.6 | -20.8 | 0 | 0 | 0 | 120.1 | ||||
| 359 | S | 25.2 | Very low | 27.7 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 69.6 | 94.2 | 135.6 | -55.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 360 | Q | 28.5 | Very low | 27.9 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | -177.6 | 113.5 | 122.2 | -79.2 | -108.2 | 32.2 | 0 | 0 | 106 | |||||
| 361 | L | 24.3 | Very low | 28 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 71% | 0.707 | 76% | 0.76 | S | S | * | * | 75.9 | 123.5 | 75.1 | -77.9 | 167 | 0 | 0 | 0 | 114.7 | |||||
| 362 | Y | 24.7 | Very low | 28.1 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | 71.2 | 140.5 | 162.5 | -79.4 | -122.2 | 0 | 0 | 0 | 116.5 | ||||
| 363 | E | 28.4 | Very low | 28 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | cis | -145.2 | 166.5 | -2.5 | -82.3 | -137.7 | 120.4 | 0 | 0 | 112.9 | ||||
| 364 | P | 32.6 | Very low | 27.9 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 60% | 0.597 | 74% | 0.744 | S | S | * | * | trans | -107.4 | 173.2 | 172.6 | 39.2 | -31.3 | 0 | 0 | 0 | 115.6 | ||||
| 365 | N | 26.2 | Very low | 28 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | trans | 78.5 | 158 | 176.3 | -43.3 | -64 | 0 | 0 | 0 | 114.5 | ||||
| 366 | T | 28.9 | Very low | 28 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | cis | -147.6 | 147.8 | 25.1 | 45 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 367 | T | 27.7 | Very low | 28.2 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | trans | 37.8 | 124.1 | 144.3 | 61.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 368 | N | 31.4 | Very low | 28.4 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | -176.4 | 98.6 | 117.6 | -90.3 | -28 | 0 | 0 | 0 | 108.7 | |||||
| 369 | T | 28.2 | Very low | 28.6 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 66% | 0.663 | 72% | 0.72 | S | S | * | * | 71 | 103.1 | 61.4 | -48.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 370 | T | 31.8 | Very low | 29 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 85% | 0.847 | 71% | 0.714 | S | S | * | * | trans | -163.7 | 132.8 | 135.1 | -76.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 371 | T | 28.5 | Very low | 29.1 | Very low | 103 Ų | 103 | 126.6 Ų | 126.6 | 63% | 0.632 | 71% | 0.707 | S | S | * | * | trans | -87.3 | 169.7 | -177.1 | -18 | 0 | 0 | 0 | 0 | 111.9 | T373 | T371-T373 HydrophobicContact CG2-CG2 3.82Š| ||
| 372 | I | 31.1 | Very low | 29.5 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 80% | 0.795 | 71% | 0.709 | S | S | * | * | -175.7 | 103.3 | 94.6 | -88 | 161.8 | 0 | 0 | 0 | 106 | |||||
| 373 | T | 27.7 | Very low | 29.7 | Very low | 91 Ų | 91 | 124.2 Ų | 124.2 | 56% | 0.558 | 71% | 0.708 | S | S | * | * | 70.2 | 119.4 | 87.2 | 51.5 | 0 | 0 | 0 | 0 | 118.4 | T371 | T371-T373 HydrophobicContact CG2-CG2 3.82Š| |||
| 374 | T | 26.2 | Very low | 29.8 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | trans | 70.3 | 149 | 139.1 | 57.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 375 | T | 29.1 | Very low | 29.6 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 74% | 0.742 | 71% | 0.707 | S | S | * | * | cis | -161.3 | 147.4 | 3.6 | 3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 376 | S | 26.4 | Very low | 29.8 | Very low | 99 Ų | 99 | 121.2 Ų | 121.2 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | trans | 53.4 | 150.6 | 133.4 | -132.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 377 | N | 31.4 | Very low | 29.8 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 65% | 0.652 | 70% | 0.698 | S | S | * | * | trans | 100.8 | 101.7 | 147.1 | -64.5 | -5.8 | 0 | 0 | 0 | 121 | ||||
| 378 | N | 31.9 | Very low | 29.8 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 67% | 0.668 | 71% | 0.705 | S | S | * | * | 75.8 | 124.5 | 115.8 | -59.3 | -1.2 | 0 | 0 | 0 | 122 | |||||
| 379 | N | 31 | Very low | 29.8 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | trans | 69.9 | 154.1 | 132.3 | -64.4 | 45.4 | 0 | 0 | 0 | 118.1 | ||||
| 380 | D | 32.8 | Very low | 29.9 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 66% | 0.658 | 70% | 0.701 | S | S | * | * | cis | -149 | 170.7 | -2.7 | -131.6 | -44.7 | 0 | 0 | 0 | 113.7 | ||||
| 381 | T | 29.9 | Very low | 30 | Very low | 103 Ų | 103 | 119.3 Ų | 119.3 | 63% | 0.632 | 69% | 0.691 | S | S | * | * | trans | -37.9 | 161.9 | 174.8 | 48.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 382 | N | 33.5 | Very low | 30.1 | Very low | 139 Ų | 139 | 121.2 Ų | 121.2 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | trans | 113.9 | 124.5 | 150.5 | -57.7 | -65.7 | 0 | 0 | 0 | 116.4 | ||||
| 383 | N | 28.5 | Very low | 30.3 | Very low | 142 Ų | 142 | 120 Ų | 120 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | cis | 106.1 | 155.9 | 24 | -170.8 | 22.8 | 0 | 0 | 0 | 112.8 | ||||
| 384 | V | 31.8 | Very low | 30.5 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 64% | 0.642 | 71% | 0.705 | S | S | * | * | trans | 89.3 | 80.5 | 165.6 | -166.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 385 | T | 28.3 | Very low | 30.9 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | 47.9 | 154.6 | 125.6 | 67.2 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 386 | N | 30.4 | Very low | 31.1 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | trans | 112.3 | 98 | 138 | -69.8 | -30.5 | 0 | 0 | 0 | 121.2 | ||||
| 387 | N | 27.9 | Very low | 31.5 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | 69.8 | 152.3 | 113.5 | -59 | -11.2 | 0 | 0 | 0 | 124.1 | |||||
| 388 | T | 28.8 | Very low | 31.6 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 80% | 0.798 | 71% | 0.71 | S | S | * | * | trans | 65.8 | 130.5 | 149.3 | 36.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 389 | S | 30.2 | Very low | 31.6 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 60% | 0.601 | 71% | 0.714 | S | S | * | * | cis | 161.6 | 159.5 | 5.2 | 43.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 390 | N | 30.4 | Very low | 31.7 | Very low | 153 Ų | 153 | 128 Ų | 128 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | 71 | 152.1 | 159.7 | -58.7 | -3.7 | 0 | 0 | 0 | 117.1 | ||||
| 391 | S | 33.9 | Very low | 31.7 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | cis | -167.2 | 151.4 | -10.6 | 41.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 392 | D | 32 | Very low | 31.5 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | 41 | 124.5 | 146.7 | -42.3 | -27.8 | 0 | 0 | 0 | 122.3 | ||||
| 393 | T | 34.5 | Very low | 31.4 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | 162.9 | 133.7 | 104.9 | 39.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 394 | N | 31.7 | Very low | 31.4 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | 13.1 | 128.4 | 148.1 | -49.1 | -11.4 | 0 | 0 | 0 | 122 | ||||
| 395 | N | 35.7 | Very low | 31.3 | Very low | 152 Ų | 152 | 138 Ų | 138 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | -179.5 | 170.7 | 93.7 | -96.4 | -36.9 | 0 | 0 | 0 | 113.8 | |||||
| 396 | N | 31.5 | Very low | 31.4 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | -71 | 167.8 | 178.5 | -50.5 | -27 | 0 | 0 | 0 | 111.6 | ||||
| 397 | D | 35.7 | Very low | 31.4 | Very low | 130 Ų | 130 | 141 Ų | 141 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | -164.2 | 145.3 | 53.7 | -95.3 | -46.7 | 0 | 0 | 0 | 115.4 | |||||
| 398 | N | 33.1 | Very low | 31.6 | Very low | 131 Ų | 131 | 140 Ų | 140 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | 56.4 | 144.9 | 140 | -59.1 | -44.8 | 0 | 0 | 0 | 125.6 | ||||
| 399 | N | 32 | Very low | 31.7 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | 90.1 | 95.8 | 149.5 | -66.7 | -17.4 | 0 | 0 | 0 | 122.6 | ||||
| 400 | H | 34.2 | Very low | 31.9 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | 68 | 110.4 | 126.3 | -81.3 | -53 | 0 | 0 | 0 | 123.5 | |||||
| 401 | N | 30.9 | Very low | 31.8 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | 88.8 | 136.1 | 122.7 | -69.4 | 1.4 | 0 | 0 | 0 | 122 | |||||
| 402 | V | 27.7 | Very low | 31.7 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | trans | 65.3 | 96.4 | 164.3 | -148.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 403 | L | 29.5 | Very low | 31.8 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | -165.7 | -174.1 | 108 | -102.1 | 169.4 | 0 | 0 | 0 | 111.3 | |||||
| 404 | R | 29.5 | Very low | 31.7 | Very low | 242 Ų | 242 | 149.9 Ų | 149.9 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | -85.5 | 164.5 | -164.7 | -78.4 | -177.6 | 173.5 | 164.3 | -2.3 | 115.1 | ||||
| 405 | I | 29.3 | Very low | 31.7 | Very low | 156 Ų | 156 | 150.5 Ų | 150.5 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -60.4 | 145.7 | 169.5 | -59.4 | 156.5 | 0 | 0 | 0 | 111 | ||||
| 406 | D | 30.3 | Very low | 31.6 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -139.6 | 140.3 | 143.5 | -83.7 | -39.9 | 0 | 0 | 0 | 110.5 | ||||
| 407 | D | 31.1 | Very low | 31.6 | Very low | 140 Ų | 140 | 150.1 Ų | 150.1 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | 35.8 | 110 | 156.7 | -63.7 | -7.2 | 0 | 0 | 0 | 124.4 | ||||
| 408 | T | 31 | Very low | 31.5 | Very low | 110 Ų | 110 | 147.5 Ų | 147.5 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | trans | 6 | 132 | 130.1 | 58.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 409 | N | 31.5 | Very low | 31.6 | Very low | 137 Ų | 137 | 149 Ų | 149 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | -173.5 | 157 | 93.5 | -101.4 | -62.4 | 0 | 0 | 0 | 115.1 | |||||
| 410 | N | 34.8 | Very low | 31.6 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | 52.1 | 107 | 158 | -64.5 | -35.5 | 0 | 0 | 0 | 120.1 | ||||
| 411 | L | 27.8 | Very low | 31.7 | Very low | 171 Ų | 171 | 150 Ų | 150 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | trans | -128.8 | 113.8 | 156.2 | -155.8 | 175.4 | 0 | 0 | 0 | 108.9 | ||||
| 412 | L | 31.9 | Very low | 31.7 | Very low | 143 Ų | 143 | 150.8 Ų | 150.8 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -145.9 | 124.1 | 178.1 | -162.1 | 75.1 | 0 | 0 | 0 | 112.6 | ||||
| 413 | K | 33.6 | Very low | 31.9 | Very low | 168 Ų | 168 | 153.6 Ų | 153.6 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | 55.5 | 100.8 | 158.6 | -74.2 | 171.9 | 179.5 | 176 | 0 | 118.7 | ||||
| 414 | L | 32 | Very low | 32.2 | Very low | 166 Ų | 166 | 151.7 Ų | 151.7 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | 176.6 | 160 | 106.1 | -111.8 | 55.6 | 0 | 0 | 0 | 108 | |||||
| 415 | H | 32.4 | Very low | 32.1 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | cis | 167.5 | 134.1 | -30.6 | -162.4 | -149.5 | 0 | 0 | 0 | 104 | ||||
| 416 | Q | 33.8 | Very low | 32.2 | Very low | 166 Ų | 166 | 148.1 Ų | 148.1 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 71.8 | 149.8 | 170.2 | -54.1 | 167.4 | 13.5 | 0 | 0 | 117.4 | ||||
| 417 | S | 30.8 | Very low | 32.3 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | cis | -171.4 | 138.1 | -21.6 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 418 | G | 34.8 | Very low | 32.2 | Very low | 74 Ų | 74 | 149.6 Ų | 149.6 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | 90.6 | 156.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 419 | Q | 35.1 | Very low | 32.1 | Very low | 163 Ų | 163 | 153.1 Ų | 153.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | cis | -155.2 | 149 | -4.1 | -77.5 | -153.8 | 35 | 0 | 0 | 112 | ||||
| 420 | Q | 32.7 | Very low | 32.1 | Very low | 149 Ų | 149 | 151.8 Ų | 151.8 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | trans | 49.1 | 141.2 | 151.5 | -56.2 | -178.7 | 43 | 0 | 0 | 119.6 | ||||
| 421 | Q | 34.7 | Very low | 32 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | cis | -147.2 | 127.6 | 34.1 | -67.6 | 176.4 | 1.8 | 0 | 0 | 110.8 | ||||
| 422 | Q | 31.9 | Very low | 32 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | 78 | 100.1 | 103.1 | -79.4 | -169.1 | -114.2 | 0 | 0 | 120.6 | |||||
| 423 | Y | 31.2 | Very low | 31.8 | Very low | 189 Ų | 189 | 150.8 Ų | 150.8 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 69.1 | 157.3 | 144.7 | -64.3 | -69.1 | 0 | 0 | 0 | 121.6 | ||||
| 424 | P | 36.3 | Very low | 31.6 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | cis | -113.4 | 169.7 | -2.6 | 18.6 | 4.2 | 0 | 0 | 0 | 115.7 | ||||
| 425 | L | 26.4 | Very low | 31.6 | Very low | 148 Ų | 148 | 148.8 Ų | 148.8 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | -87.7 | 175.9 | 175.7 | -95.5 | 78.8 | 0 | 0 | 0 | 112.8 | ||||
| 426 | Q | 31.6 | Very low | 31.5 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 88.8 | 127.2 | 175.3 | -52.3 | 177.8 | 30 | 0 | 0 | 112.3 | ||||
| 427 | Q | 31.9 | Very low | 31.2 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | cis | -148.7 | 165.9 | 19.6 | -126.7 | 165.3 | 69.3 | 0 | 0 | 113 | ||||
| 428 | L | 30.4 | Very low | 31.2 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | 69 | 144.3 | 166.2 | -67 | 162.4 | 0 | 0 | 0 | 119 | ||||
| 429 | Q | 29.4 | Very low | 30.9 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -126.8 | 162.2 | -176 | -66.2 | 176.2 | -80.4 | 0 | 0 | 111 | ||||
| 430 | S | 30.6 | Very low | 30.5 | Very low | 108 Ų | 108 | 149.6 Ų | 149.6 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 52.9 | 104.9 | 150.5 | 59.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 431 | V | 31.9 | Very low | 30.3 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 90% | 0.903 | 79% | 0.792 | S | S | * | * | -135.2 | 118.2 | 124 | -146.1 | 0 | 0 | 0 | 0 | 109 | |||||
| 432 | N | 28.7 | Very low | 30.1 | Very low | 150 Ų | 150 | 146.8 Ų | 146.8 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -163.2 | 141.2 | 163.9 | -126.4 | -14.8 | 0 | 0 | 0 | 108.6 | ||||
| 433 | N | 28.5 | Very low | 29.9 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 59.6 | 104 | -177.6 | -57.2 | -15.6 | 0 | 0 | 0 | 116.7 | ||||
| 434 | S | 28.7 | Very low | 29.9 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | 167.6 | 118.1 | 126.9 | -75.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 435 | I | 32 | Very low | 29.5 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | trans | -140.3 | 64.9 | 161.8 | -49.7 | -178.1 | 0 | 0 | 0 | 109.5 | ||||
| 436 | I | 29.8 | Very low | 29.7 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 80% | 0.795 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -143.6 | 136.9 | 154.6 | -64.6 | -172.4 | 0 | 0 | 0 | 106.8 | ||
| 437 | S | 27.3 | Very low | 29.6 | Very low | 91 Ų | 91 | 143.8 Ų | 143.8 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | 69.9 | 165.3 | 175.6 | 76.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 438 | H | 30.6 | Very low | 29.7 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | 70 | 114.4 | -166 | -44.8 | -57.5 | 0 | 0 | 0 | 112.9 | ||||
| 439 | S | 29 | Very low | 29.6 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | cis | 68.7 | 98.7 | 18.6 | -34.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 440 | N | 26 | Very low | 29.8 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | 28.7 | 104.4 | 155.7 | -60 | -4.4 | 0 | 0 | 0 | 118.7 | ||||
| 441 | T | 29.6 | Very low | 29.8 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | -156.7 | 117.4 | 128.8 | -9.1 | 0 | 0 | 0 | 0 | 112.3 | Q443 | T441-Q443 HydrophobicContact CG2-CG 4.25Š| |||
| 442 | V | 30 | Very low | 29.8 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -80.5 | 119.6 | 155.7 | 174.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 443 | Q | 28.7 | Very low | 29.8 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -117.8 | 100.8 | 168.7 | -79.7 | -164.5 | -8 | 0 | 0 | 110.4 | T441 | T441-Q443 HydrophobicContact CG2-CG 4.25Š| ||
| 444 | S | 30.2 | Very low | 29.9 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | -140 | 86.2 | 163.7 | 46 | 0 | 0 | 0 | 0 | 110 | ||||
| 445 | N | 29.1 | Very low | 29.9 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 31.5 | 101 | 151.1 | -57.2 | -30.7 | 0 | 0 | 0 | 117.8 | ||||
| 446 | N | 30.7 | Very low | 30 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | -147.4 | 153.9 | 129.2 | -114.4 | -54.1 | 0 | 0 | 0 | 113.6 | |||||
| 447 | L | 29 | Very low | 29.9 | Very low | 133 Ų | 133 | 142 Ų | 142 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | trans | -95.1 | 158.6 | -166.4 | -90.4 | 64.3 | 0 | 0 | 0 | 112.9 | ||||
| 448 | K | 32.5 | Very low | 30.1 | Very low | 179 Ų | 179 | 145.8 Ų | 145.8 | 78% | 0.778 | 80% | 0.797 | S | S | * | * | trans | 84 | 105.4 | 162.5 | -61 | 136.9 | -179.1 | 177.2 | 0 | 117.2 | ||||
| 449 | N | 28.5 | Very low | 30 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | 40 | 117.4 | 118.8 | -51.1 | 5.7 | 0 | 0 | 0 | 118.1 | |||||
| 450 | H | 33.6 | Very low | 30 | Very low | 196 Ų | 196 | 142 Ų | 142 | 91% | 0.907 | 77% | 0.77 | S | S | * | * | -154.4 | 162.2 | 112.6 | -104 | -76 | 0 | 0 | 0 | 110 | |||||
| 451 | N | 30.6 | Very low | 30.1 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | -109.3 | 155.4 | -166.7 | -57.3 | -25.4 | 0 | 0 | 0 | 112.7 | ||||
| 452 | G | 32.2 | Very low | 30.3 | Very low | 72 Ų | 72 | 139.8 Ų | 139.8 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | trans | 115.3 | 120.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 453 | L | 29.3 | Very low | 30.5 | Very low | 165 Ų | 165 | 142 Ų | 142 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | cis | 80.3 | 136.4 | 20.5 | -149.2 | 83.5 | 0 | 0 | 0 | 114.8 | ||||
| 454 | V | 29.8 | Very low | 30.8 | Very low | 125 Ų | 125 | 138 Ų | 138 | 76% | 0.758 | 75% | 0.745 | S | S | * | * | trans | 75.6 | 135.1 | 172.6 | -169.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 455 | T | 30 | Very low | 30.8 | Very low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | cis | -149.7 | 166.6 | 0 | 13.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 456 | P | 34.2 | Very low | 31 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -82 | 176.2 | 168.4 | 36.7 | -37.4 | 0 | 0 | 0 | 114.1 | ||||
| 457 | F | 27.1 | Very low | 31.1 | Very low | 206 Ų | 206 | 140.6 Ų | 140.6 | 90% | 0.904 | 73% | 0.726 | S | S | * | * | trans | 23.4 | 100.8 | 164.5 | -82.2 | -79.6 | 0 | 0 | 0 | 118.6 | ||||
| 458 | I | 30.7 | Very low | 31.3 | Very low | 172 Ų | 172 | 140 Ų | 140 | 88% | 0.882 | 72% | 0.72 | S | S | * | * | trans | -145 | 154.2 | 148.8 | -80 | -159.8 | 0 | 0 | 0 | 109.6 | ||||
| 459 | L | 28.9 | Very low | 31.4 | Very low | 70 Ų | 70 | 134.8 Ų | 134.8 | 37% | 0.366 | 71% | 0.706 | S | S | . | * | trans | -103.1 | 160 | 178.2 | 170.8 | 68 | 0 | 0 | 0 | 111.4 | S1416 | L459-S1416 WeakPolarHBondContact CD1-OG 3.21Å; L459-S1416 WeakPolarHBondContact CD2-OG 3.44Å | ||
| 460 | E | 28.6 | Very low | 31.7 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 59% | 0.589 | 70% | 0.698 | S | S | * | * | trans | 79.9 | 145.4 | 158.5 | -98.8 | 170.2 | 177.6 | 0 | 0 | 121.4 | L1414 | E460-L1414 HydrophobicContact CG-CD2 3.49Å; E460-L1414 VanDerWaalsContact CG-CD2 3.49Å; E460-L1414 WeakPolarHBondContact OE1-CD2 3.24Å | ||
| 461 | D | 28.7 | Very low | 31.6 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | trans | 74.7 | 117.3 | 146.1 | -92.5 | 11.6 | 0 | 0 | 0 | 125.8 | ||||
| 462 | V | 33.5 | Very low | 31.7 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 65% | 0.648 | 68% | 0.676 | S | S | * | * | 83.7 | 89.4 | 126.6 | 175.6 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 463 | K | 33.8 | Very low | 31.7 | Very low | 181 Ų | 181 | 133 Ų | 133 | 79% | 0.787 | 68% | 0.678 | S | S | * | * | 65.6 | 152.6 | 104.3 | -171.7 | -177.3 | -178.2 | -177.8 | 0 | 119.2 | |||||
| 464 | P | 35.5 | Very low | 31.9 | Very low | 97 Ų | 97 | 133 Ų | 133 | 63% | 0.63 | 67% | 0.674 | S | S | * | * | cis | -135.5 | -166.1 | -20 | 38.9 | -20.2 | 0 | 0 | 0 | 115.5 | ||||
| 465 | R | 31 | Very low | 31.9 | Very low | 199 Ų | 199 | 133.1 Ų | 133.1 | 75% | 0.751 | 67% | 0.67 | S | S | * | * | trans | 83 | 144.5 | 153.3 | -78.1 | 173.1 | 158.8 | 171.3 | -7.8 | 117.1 | ||||
| 466 | F | 33 | Very low | 32.1 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 62% | 0.623 | 67% | 0.668 | S | S | * | * | cis | -152.3 | 153.8 | 8 | -119.1 | -41.3 | 0 | 0 | 0 | 113.2 | ||||
| 467 | Q | 32.9 | Very low | 31.9 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 57% | 0.565 | 67% | 0.665 | S | S | * | * | trans | 66.2 | 161.6 | 148.4 | -74.6 | 179.3 | -72.2 | 0 | 0 | 120.7 | K1407 | Q467-K1407 PolarHBondContact O-NZ 3.21Š| ||
| 468 | E | 33 | Very low | 32.2 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 57% | 0.565 | 66% | 0.658 | S | S | * | * | cis | -154.1 | 167.8 | -43.9 | -133.4 | 158.7 | -160.2 | 0 | 0 | 112 | K1406 | E468-K1406 VanDerWaalsContact O-CD 3.23Å; E468-K1406 WeakPolarHBondContact O-CD 3.27Å; E468-K1406 WeakPolarHBondContact O-CE 3.17Å; E468-K1406 PolarHBondContact O-NZ 2.79Å | ||
| 469 | S | 35 | Very low | 32.5 | Very low | 68 Ų | 68 | 128.1 Ų | 128.1 | 48% | 0.476 | 65% | 0.651 | S | S | . | * | trans | 23.9 | 139.5 | 162.8 | -54.1 | 0 | 0 | 0 | 0 | 123.2 | K1406 | S469-K1406 VanDerWaalsContact O-CD 3.31Å; S469-K1406 WeakPolarHBondContact O-CD 3.42Å; S469-K1406 PolarHBondContact O-NZ 3.04Å | ||
| 470 | N | 33.4 | Very low | 32.8 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 57% | 0.567 | 67% | 0.672 | S | S | * | * | cis | -171.2 | 135.6 | -5.9 | -111.3 | -3 | 0 | 0 | 0 | 115 | ||||
| 471 | T | 32 | Very low | 32.9 | Very low | 80 Ų | 80 | 129.3 Ų | 129.3 | 49% | 0.491 | 68% | 0.683 | S | S | . | * | trans | 68.3 | 162.7 | 143.8 | 66.5 | 0 | 0 | 0 | 0 | 119.8 | D1405 | T471-D1405 CarbonylContact C-O 3.56Å; T471-D1405 WeakPolarHBondContact CA-O 3.19Å; T471-D1405 PolarHBondContact N-O 3.49Å; T471-D1405 VanDerWaalsContact N-O 3.13Å | ||
| 472 | I | 33.4 | Very low | 33.1 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 81% | 0.81 | 69% | 0.687 | S | S | * | * | cis | -134.7 | 162 | 18.2 | -70.3 | 174.8 | 0 | 0 | 0 | 111.6 | ||||
| 473 | K | 31.7 | Very low | 32.9 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 80% | 0.8 | 69% | 0.69 | S | S | * | * | trans | -95.8 | 159.2 | 176.6 | -51.5 | 167.1 | -179.6 | 174.8 | 0 | 113 | ||||
| 474 | H | 33.5 | Very low | 32.8 | Very low | 167 Ų | 167 | 130 Ų | 130 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | -158 | 117.8 | 118.4 | -115.9 | -76.8 | 0 | 0 | 0 | 112.7 | H476 | H474-H476 AromaticContact CE1-NE2 3.9Å; H474-H476 AromaticContact ND1-CD2 3.97Å; H474-H476 AromaticContact ND1-NE2 3.78Å | |||
| 475 | N | 29.6 | Very low | 32.8 | Very low | 126 Ų | 126 | 130 Ų | 130 | 67% | 0.674 | 69% | 0.693 | S | S | * | * | trans | -88.4 | 150.3 | 157 | -69.4 | 19.4 | 0 | 0 | 0 | 108.2 | ||||
| 476 | H | 35.2 | Very low | 33 | Very low | 158 Ų | 158 | 128.1 Ų | 128.1 | 73% | 0.731 | 69% | 0.693 | S | S | * | * | -137.7 | 134.5 | 123.5 | -75.7 | -76.4 | 0 | 0 | 0 | 105.5 | H474 | H474-H476 AromaticContact CE1-NE2 3.9Å; H474-H476 AromaticContact ND1-CD2 3.97Å; H474-H476 AromaticContact ND1-NE2 3.78Å | |||
| 477 | N | 29.6 | Very low | 33.1 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 64% | 0.642 | 70% | 0.7 | S | S | * | * | 63.6 | 135.4 | 52.5 | -54 | 13.1 | 0 | 0 | 0 | 109.7 | |||||
| 478 | T | 33.7 | Very low | 33.1 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | cis | -140.9 | 158.6 | 20.3 | 50.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 479 | S | 36.4 | Very low | 33.1 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | 45.7 | 138.5 | 67.1 | -54.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 480 | P | 36.2 | Very low | 33.1 | Very low | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 72% | 0.723 | S | S | * | * | -139.4 | 141 | 105.4 | 35.9 | -24.4 | 0 | 0 | 0 | 114.2 | |||||
| 481 | A | 29.7 | Very low | 33 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | trans | -96.6 | 137.8 | 153 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 482 | I | 33.1 | Very low | 33 | Very low | 154 Ų | 154 | 134 Ų | 134 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | -78.7 | 128.7 | -177 | -65.9 | 176.9 | 0 | 0 | 0 | 110.9 | ||||
| 483 | N | 29.4 | Very low | 32.9 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | 10.9 | 120 | 156.3 | -55.1 | -30.8 | 0 | 0 | 0 | 119 | ||||
| 484 | T | 31.6 | Very low | 33 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 91% | 0.908 | 74% | 0.735 | S | S | * | * | -139.9 | 135.8 | 125.8 | 23.1 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 485 | T | 34.5 | Very low | 32.9 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 58% | 0.583 | 74% | 0.736 | S | S | * | * | trans | -142.3 | 118.8 | -168.3 | 9.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 486 | H | 35.5 | Very low | 32.9 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | trans | 68.5 | 160.9 | 170.5 | -37.4 | -61.3 | 0 | 0 | 0 | 114.6 | ||||
| 487 | H | 35.1 | Very low | 32.8 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | cis | -139.2 | 149.5 | 13.2 | -58.6 | -102.7 | 0 | 0 | 0 | 113.1 | ||||
| 488 | S | 32.7 | Very low | 32.8 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | 50.9 | 120.6 | 137.5 | -58.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 489 | T | 34.4 | Very low | 32.6 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | 78.1 | 135.6 | 114 | -62.3 | 0 | 0 | 0 | 0 | 119 | |||||
| 490 | T | 35.1 | Very low | 32.3 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 61% | 0.607 | 74% | 0.74 | S | S | * | * | cis | -172.2 | 165.2 | -9.3 | -93.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 491 | D | 31.6 | Very low | 31.9 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | 69.4 | 156.7 | 165.7 | -75 | -10.4 | 0 | 0 | 0 | 119.1 | ||||
| 492 | I | 31.7 | Very low | 31.8 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 68% | 0.677 | 74% | 0.738 | S | S | * | * | cis | -165.1 | 154.3 | -36.6 | -140.5 | 173.5 | 0 | 0 | 0 | 109.8 | ||||
| 493 | I | 31.6 | Very low | 31.7 | Very low | 145 Ų | 145 | 129 Ų | 129 | 74% | 0.744 | 73% | 0.734 | S | S | * | * | trans | 74.6 | 126.8 | 155.5 | -80.2 | 174.5 | 0 | 0 | 0 | 122.3 | ||||
| 494 | M | 33.1 | Very low | 31.6 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | 71.8 | 103.9 | 147.1 | -67.3 | -79.5 | -83.7 | 0 | 0 | 124.5 | ||||
| 495 | V | 31.1 | Very low | 31.6 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 78% | 0.782 | 73% | 0.728 | S | S | * | * | 34.6 | 123.2 | 113.2 | -174 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 496 | G | 30.7 | Very low | 31.3 | Very low | 60 Ų | 60 | 134 Ų | 134 | 62% | 0.619 | 74% | 0.74 | S | S | * | * | 136.4 | 102.1 | 127.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 497 | F | 31.7 | Very low | 31 | Very low | 189 Ų | 189 | 131.3 Ų | 131.3 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | trans | 58.2 | 135.3 | 138.4 | -71 | -75.3 | 0 | 0 | 0 | 124.3 | ||||
| 498 | N | 30.5 | Very low | 30.9 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 67% | 0.674 | 73% | 0.734 | S | S | * | * | trans | 81.5 | 116.4 | 139.8 | -64.8 | -10.7 | 0 | 0 | 0 | 122.8 | ||||
| 499 | N | 29.7 | Very low | 30.9 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | 60.6 | 127.8 | 125.8 | -60.8 | -3.8 | 0 | 0 | 0 | 122.7 | |||||
| 500 | S | 28.7 | Very low | 30.8 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | 43.8 | 87.4 | 129.9 | -50.8 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 501 | T | 28.6 | Very low | 30.6 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | trans | -162.9 | 133.3 | 136.4 | 18.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 502 | S | 28.1 | Very low | 30.5 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | 89.4 | 116 | 55.1 | -162.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 503 | V | 29.6 | Very low | 30.7 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | trans | -1.3 | 148.8 | 167 | -72.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 504 | N | 28.4 | Very low | 30.8 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | 65.7 | 115.6 | 143 | -65.6 | -9.9 | 0 | 0 | 0 | 120 | ||||
| 505 | H | 30.9 | Very low | 31 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | 18.4 | 121.5 | 121.8 | -66.8 | -73.5 | 0 | 0 | 0 | 119.1 | |||||
| 506 | Q | 28.7 | Very low | 31.3 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 84% | 0.841 | 73% | 0.729 | S | S | * | * | trans | 74.6 | 114.5 | 139.8 | -64.4 | 177.2 | -6.1 | 0 | 0 | 119.3 | ||||
| 507 | S | 29.9 | Very low | 31.4 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 83.7 | 115.3 | 136.4 | -155.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 508 | S | 31.2 | Very low | 31.5 | Very low | 93 Ų | 93 | 129.3 Ų | 129.3 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | trans | 66.8 | 125.8 | 134.1 | 62.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 509 | H | 33.5 | Very low | 31.7 | Very low | 170 Ų | 170 | 128.5 Ų | 128.5 | 79% | 0.787 | 72% | 0.719 | S | S | * | * | trans | 74.8 | 100.5 | 141 | -84.4 | -65.3 | 0 | 0 | 0 | 120.8 | ||||
| 510 | V | 32.9 | Very low | 31.9 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 67% | 0.667 | 72% | 0.717 | S | S | * | * | 77.5 | 114.9 | 106.2 | 152.1 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 511 | N | 30.6 | Very low | 32 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 65% | 0.647 | 71% | 0.71 | S | S | * | * | trans | 84.1 | 119.1 | 139.2 | -73.7 | 41.2 | 0 | 0 | 0 | 123.2 | ||||
| 512 | D | 28.9 | Very low | 32.1 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | 78.3 | 167.8 | 125.1 | -67 | -37.2 | 0 | 0 | 0 | 122.3 | |||||
| 513 | V | 37.2 | Very low | 32.1 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | trans | 81.2 | 90.7 | 170.3 | -163.4 | 0 | 0 | 0 | 0 | 114.5 | L515 | V513-L515 HydrophobicContact CG1-CD1 4.27Š| ||
| 514 | N | 31.8 | Very low | 32 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | 90.7 | 158.5 | 51.6 | -172.9 | 24.9 | 0 | 0 | 0 | 113.5 | |||||
| 515 | L | 38.6 | Very low | 32.1 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | trans | 88 | 137.5 | 169 | -64 | 111.6 | 0 | 0 | 0 | 118.3 | V513 | V513-L515 HydrophobicContact CG1-CD1 4.27Š| ||
| 516 | K | 36.5 | Very low | 31.9 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | cis | -171.2 | 151.7 | -16.6 | -172.7 | 54.8 | 172.4 | 100.1 | 0 | 112 | ||||
| 517 | N | 33.5 | Very low | 32.1 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 66% | 0.663 | 71% | 0.709 | S | S | * | * | trans | 72.7 | 151.1 | 163.2 | -73.9 | -7 | 0 | 0 | 0 | 118.3 | ||||
| 518 | T | 34.1 | Very low | 31.9 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 57% | 0.571 | 71% | 0.711 | S | S | * | * | cis | -164.5 | 126.4 | -18.8 | -96.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 519 | V | 34.6 | Very low | 31.7 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 67% | 0.667 | 72% | 0.718 | S | S | * | * | 45.8 | 145.4 | 94.1 | -112.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 520 | D | 34.6 | Very low | 31.5 | Very low | 129 Ų | 129 | 128 Ų | 128 | 69% | 0.69 | 71% | 0.708 | S | S | * | * | cis | -152.5 | 134.2 | 34.3 | -91.8 | -62 | 0 | 0 | 0 | 109.9 | ||||
| 521 | N | 29.7 | Very low | 31.1 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 63% | 0.626 | 72% | 0.716 | S | S | * | * | 88.2 | 118.7 | 76.6 | -90.7 | -46.5 | 0 | 0 | 0 | 117.2 | |||||
| 522 | L | 30 | Very low | 31.1 | Very low | 158 Ų | 158 | 128 Ų | 128 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | trans | 37 | 129.6 | 137.4 | -56.5 | 169.6 | 0 | 0 | 0 | 121.3 | ||||
| 523 | N | 29.2 | Very low | 31 | Very low | 152 Ų | 152 | 126 Ų | 126 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | -172.2 | 166.9 | 98.3 | -151.6 | -1 | 0 | 0 | 0 | 113.3 | |||||
| 524 | T | 27.3 | Very low | 30.6 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 64% | 0.644 | 72% | 0.716 | S | S | * | * | trans | -97 | 158.3 | 173.8 | 51.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 525 | N | 30.2 | Very low | 30.5 | Very low | 143 Ų | 143 | 124.8 Ų | 124.8 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | 173.1 | 164.7 | 115.8 | -94.4 | -66.2 | 0 | 0 | 0 | 115.4 | |||||
| 526 | N | 26.7 | Very low | 30.2 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | -84.5 | 146.2 | -175 | -54.1 | -64.5 | 0 | 0 | 0 | 114.8 | ||||
| 527 | S | 32.6 | Very low | 29.9 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | trans | -177.7 | 113.2 | 132.2 | 52.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 528 | N | 26 | Very low | 29.9 | Very low | 143 Ų | 143 | 123.1 Ų | 123.1 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | 76.5 | 135 | 73.6 | -85.7 | -12.4 | 0 | 0 | 0 | 115.3 | |||||
| 529 | I | 28.2 | Very low | 29.7 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | trans | 73.5 | 139.1 | 154.5 | -65.9 | 162.6 | 0 | 0 | 0 | 116.6 | ||||
| 530 | S | 28.1 | Very low | 29.6 | Very low | 84 Ų | 84 | 126.5 Ų | 126.5 | 59% | 0.587 | 72% | 0.72 | S | S | * | * | cis | -172.3 | 146.1 | -22.1 | -92.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 531 | T | 25.4 | Very low | 29.1 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | 57.8 | 160.6 | 144.6 | 58.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 532 | A | 29.2 | Very low | 29.1 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 79% | 0.793 | 73% | 0.731 | S | S | * | * | trans | 73.5 | 141.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 533 | S | 26.7 | Very low | 28.7 | Very low | 94 Ų | 94 | 127.1 Ų | 127.1 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | cis | -168.3 | 176.4 | -20.8 | -161.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 534 | N | 29.1 | Very low | 28.6 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | trans | 72.6 | 147.7 | 153.3 | -61.5 | -5.3 | 0 | 0 | 0 | 116.2 | ||||
| 535 | N | 30.6 | Very low | 28.5 | Very low | 111 Ų | 111 | 129 Ų | 129 | 59% | 0.594 | 72% | 0.721 | S | S | * | * | cis | -167.7 | 155.1 | -10.9 | -113.5 | -8.1 | 0 | 0 | 0 | 110.4 | ||||
| 536 | N | 31.1 | Very low | 28.4 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | trans | 64 | 161.3 | 144 | -62.5 | -4.4 | 0 | 0 | 0 | 117 | ||||
| 537 | N | 31.4 | Very low | 28.5 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | cis | -171.1 | 163.9 | -16.3 | -96.9 | -4.9 | 0 | 0 | 0 | 104.4 | ||||
| 538 | N | 32.2 | Very low | 28.3 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | cis | -159.2 | 161.4 | 2.2 | -113.9 | -16.4 | 0 | 0 | 0 | 108.4 | ||||
| 539 | Q | 31.4 | Very low | 28.4 | Very low | 156 Ų | 156 | 127 Ų | 127 | 73% | 0.729 | 70% | 0.703 | S | S | * | * | trans | -77 | 158.2 | 156.5 | -75.5 | -167.3 | -18.5 | 0 | 0 | 110.9 | R541 | Q539-R541 HydrophobicContact CB-CB 4.29Š| ||
| 540 | P | 32.4 | Very low | 28.4 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 77% | 0.766 | 68% | 0.683 | S | S | * | * | -129.1 | 149.9 | 97.4 | 36.4 | -29.4 | 0 | 0 | 0 | 111.5 | |||||
| 541 | R | 24.1 | Very low | 28.4 | Very low | 216 Ų | 216 | 130.5 Ų | 130.5 | 82% | 0.815 | 69% | 0.694 | S | S | * | * | cis | 68 | 75.4 | 14.7 | -157.3 | -168.2 | -174.5 | -141.5 | 0.4 | 117.3 | Q539 | Q539-R541 HydrophobicContact CB-CB 4.29Š| ||
| 542 | T | 28.4 | Very low | 28.6 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 73% | 0.73 | 68% | 0.683 | S | S | * | * | trans | -168.7 | 121.1 | 140.8 | 35 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 543 | S | 23.4 | Very low | 28.7 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 58% | 0.58 | 68% | 0.683 | S | S | * | * | 75.5 | 144.3 | 51.4 | 77 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 544 | F | 26.1 | Very low | 28.9 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 81% | 0.807 | 69% | 0.692 | S | S | * | * | trans | 76.6 | 140.7 | -179.8 | -55.6 | -68.3 | 0 | 0 | 0 | 115.4 | ||||
| 545 | T | 24.9 | Very low | 29 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 69% | 0.693 | 70% | 0.695 | S | S | * | * | cis | -164.1 | -176.2 | -33.9 | 6.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 546 | E | 29 | Very low | 28.8 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | trans | 70.1 | 153.2 | 164.8 | -64.4 | -178.1 | 178 | 0 | 0 | 116.5 | ||||
| 547 | N | 28 | Very low | 28.7 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | cis | -156.4 | 151.3 | -37 | -118.6 | -13.5 | 0 | 0 | 0 | 110.2 | ||||
| 548 | S | 27.9 | Very low | 28.4 | Very low | 86 Ų | 86 | 136.6 Ų | 136.6 | 60% | 0.601 | 71% | 0.707 | S | S | * | * | trans | 49.1 | 124.2 | 142.4 | 73.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 549 | N | 28.5 | Very low | 28.2 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 59% | 0.588 | 71% | 0.71 | S | S | * | * | 96.5 | 128.3 | 123.2 | -69.8 | 0.1 | 0 | 0 | 0 | 123.1 | |||||
| 550 | Y | 28.4 | Very low | 28 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 37% | 0.365 | 71% | 0.706 | S | S | . | * | trans | 66.9 | 124.3 | 162.7 | -56.9 | -60 | 0 | 0 | 0 | 117.6 | N1268 | Y550-N1268 HydrophobicContact CD2-CB 4.04Å; Y550-N1268 VanDerWaalsContact CD2-CG 3.5Å; Y550-N1268 WeakPolarHBondContact CD2-OD1 3.4Å; Y550-N1268 HydrophobicContact CE2-CB 3.96Å | ||
| 551 | R | 28.4 | Very low | 27.7 | Very low | 218 Ų | 218 | 141.4 Ų | 141.4 | 82% | 0.823 | 71% | 0.705 | S | S | * | * | 73.3 | 125.7 | 54.5 | -154.2 | -142.8 | -173.6 | 167.9 | 1.9 | 109 | |||||
| 552 | S | 30.4 | Very low | 27.9 | Very low | 85 Ų | 85 | 137 Ų | 137 | 59% | 0.594 | 70% | 0.701 | S | S | * | * | cis | -150.3 | 142.2 | 30.6 | -38.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 553 | T | 29.4 | Very low | 27.9 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | trans | 27.9 | 128.7 | 137.2 | 59.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 554 | Q | 31.8 | Very low | 28.1 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 85% | 0.846 | 70% | 0.697 | S | S | * | * | -151.5 | 129.2 | 111.7 | -115.7 | -177.6 | 58 | 0 | 0 | 113.1 | |||||
| 555 | L | 31.2 | Very low | 28.3 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | trans | 45.7 | 80.2 | 156.6 | -62.1 | 171 | 0 | 0 | 0 | 119 | ||||
| 556 | Q | 26.9 | Very low | 28.6 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 83% | 0.832 | 69% | 0.689 | S | S | * | * | -69 | 144.8 | 129.1 | -70 | 170.5 | -81.2 | 0 | 0 | 108.5 | |||||
| 557 | N | 28.7 | Very low | 28.7 | Very low | 124 Ų | 124 | 133 Ų | 133 | 66% | 0.663 | 68% | 0.683 | S | S | * | * | trans | -145 | 74.1 | 159.3 | -135.8 | 3.1 | 0 | 0 | 0 | 110.6 | Y559 | N557-Y559 WeakPolarHBondContact OD1-CE2 3.04Š| ||
| 558 | C | 24.6 | Very low | 28.9 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 64% | 0.635 | 69% | 0.687 | S | S | * | * | trans | -96.1 | 104.6 | 173.7 | -58.2 | 0 | 0 | 0 | 0 | 109.3 | N560 | C558-N560 PolarHBondContact O-ND2 3.4Š| ||
| 559 | Y | 27.7 | Very low | 29.3 | Very low | 202 Ų | 202 | 139 Ų | 139 | 79% | 0.792 | 69% | 0.687 | S | S | * | * | trans | -95.5 | 116.8 | 159.2 | -78.9 | -90.4 | 0 | 0 | 0 | 106.2 | N557 | N557-Y559 WeakPolarHBondContact OD1-CE2 3.04Š| ||
| 560 | N | 28.2 | Very low | 29.7 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 66% | 0.658 | 69% | 0.692 | S | S | * | * | cis | 52.8 | 99 | 39.5 | -59.9 | -51.3 | 0 | 0 | 0 | 110.6 | C558 | C558-N560 PolarHBondContact O-ND2 3.4Š| ||
| 561 | Y | 25.1 | Very low | 29.7 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 73% | 0.725 | 71% | 0.706 | S | S | * | * | 64.8 | 82.4 | 56.9 | -157.6 | -81.3 | 0 | 0 | 0 | 113.5 | Q563 | Y561-Q563 HydrophobicContact CE1-CB 4.17Å; Y561-Q563 PolarHBondContact OH-OE1 2.84Å | |||
| 562 | V | 28.9 | Very low | 30.1 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 75% | 0.745 | 71% | 0.705 | S | S | * | * | trans | -152.7 | 103.6 | 153.7 | -179 | 0 | 0 | 0 | 0 | 102.4 | ||||
| 563 | Q | 27.7 | Very low | 30.3 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 53% | 0.528 | 72% | 0.719 | S | S | . | * | 35.8 | 65 | 50.9 | -159 | 171.3 | -7.5 | 0 | 0 | 113.3 | Y561 E565 | Y561-Q563 HydrophobicContact CE1-CB 4.17Å; Y561-Q563 PolarHBondContact OH-OE1 2.84Å; Q563-E565 HydrophobicContact CG-CG 4.17Å; Q563-E565 PolarHBondContact NE2-OE1 2.96Å; Q563-E565 PolarHBondContact O-N 3.47Å | |||
| 564 | S | 28.9 | Very low | 30.4 | Very low | 100 Ų | 100 | 144 Ų | 144 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | trans | -75.2 | 74.3 | 170.3 | 58.3 | 0 | 0 | 0 | 0 | 110.9 | V566 | S564-V566 PolarHBondContact O-N 3.19Š| ||
| 565 | E | 30.5 | Very low | 30.4 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 60% | 0.598 | 72% | 0.717 | S | S | * | * | trans | -65.1 | 117 | 161.8 | -75.4 | -177.6 | -175.4 | 0 | 0 | 109.1 | Q563 N567 | Q563-E565 HydrophobicContact CG-CG 4.17Å; Q563-E565 PolarHBondContact NE2-OE1 2.96Å; Q563-E565 PolarHBondContact O-N 3.47Å; E565-N567 PolarHBondContact O-N 2.87Å | ||
| 566 | V | 31.3 | Very low | 30.2 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | trans | -79.9 | 65.5 | 172 | -168.4 | 0 | 0 | 0 | 0 | 108.7 | S564 Y568 | S564-V566 PolarHBondContact O-N 3.19Å; V566-Y568 HydrophobicContact CG1-CD2 3.92Å; V566-Y568 HydrophobicContact CG1-CE2 3.79Å; V566-Y568 PolarHBondContact O-N 3.18Å | ||
| 567 | N | 30.9 | Very low | 30.4 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 66% | 0.663 | 71% | 0.71 | S | S | * | * | trans | -75.4 | 91.5 | -176.3 | -165 | -27.3 | 0 | 0 | 0 | 110 | E565 K569 | E565-N567 PolarHBondContact O-N 2.87Å; N567-K569 PolarHBondContact O-N 2.85Å | ||
| 568 | Y | 32.4 | Very low | 30.6 | Very low | 205 Ų | 205 | 137.9 Ų | 137.9 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | -67.9 | 93.6 | 176.9 | -99 | -86.5 | 0 | 0 | 0 | 110.9 | V566 P570 | V566-Y568 HydrophobicContact CG1-CD2 3.92Å; V566-Y568 HydrophobicContact CG1-CE2 3.79Å; V566-Y568 PolarHBondContact O-N 3.18Å; Y568-P570 VanDerWaalsContact O-CD 3.25Å; Y568-P570 WeakPolarHBondContact O-CD 3.15Å | ||
| 569 | K | 35.4 | Very low | 30.8 | Very low | 143 Ų | 143 | 141 Ų | 141 | 62% | 0.622 | 72% | 0.72 | S | S | * | * | trans | -55.2 | 115 | 177.9 | -176.4 | -164.5 | 179.9 | -145.6 | 0 | 112.7 | N567 D571 | N567-K569 PolarHBondContact O-N 2.85Å; K569-D571 WeakPolarHBondContact CE-OD1 3.23Å; K569-D571 WeakPolarHBondContact CE-OD2 3.39Å; K569-D571 IonicContact NZ-OD1 3.95Å; K569-D571 PolarHBondContact NZ-OD1 3.13Å; K569-D571 IonicContact NZ-OD2 2.64Å; K569-D571 PolarHBondContact NZ-OD2 3.05Å; K569-D571 PolarHBondContact O-N 2.98Å | ||
| 570 | P | 37.1 | Very low | 31.1 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | trans | -85 | 108.2 | 166.3 | 32.5 | -28.1 | 0 | 0 | 0 | 109.9 | Y568 L572 | Y568-P570 VanDerWaalsContact O-CD 3.25Å; Y568-P570 WeakPolarHBondContact O-CD 3.15Å; P570-L572 VanDerWaalsContact C-N 3.3Å; P570-L572 PolarHBondContact O-N 3.13Å | ||
| 571 | D | 29.4 | Very low | 31.3 | Very low | 124 Ų | 124 | 141 Ų | 141 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | trans | -73.9 | 78.8 | 174.5 | -96 | -50.2 | 0 | 0 | 0 | 111.8 | K569 | K569-D571 WeakPolarHBondContact CE-OD1 3.23Å; K569-D571 WeakPolarHBondContact CE-OD2 3.39Å; K569-D571 IonicContact NZ-OD1 3.95Å; K569-D571 PolarHBondContact NZ-OD1 3.13Å; K569-D571 IonicContact NZ-OD2 2.64Å; K569-D571 PolarHBondContact NZ-OD2 3.05Å; K569-D571 PolarHBondContact O-N 2.98Å | ||
| 572 | L | 36.6 | Very low | 31.9 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 80% | 0.801 | 72% | 0.72 | S | S | * | * | trans | -100.5 | 104.8 | 169.9 | -94.5 | 165 | 0 | 0 | 0 | 111.1 | P570 I574 | P570-L572 VanDerWaalsContact C-N 3.3Å; P570-L572 PolarHBondContact O-N 3.13Å; L572-I574 PolarHBondContact O-N 2.89Å | ||
| 573 | K | 32.7 | Very low | 32.2 | Very low | 202 Ų | 202 | 139.3 Ų | 139.3 | 88% | 0.878 | 72% | 0.721 | S | S | * | * | trans | -68.1 | 95.4 | 175.1 | -64.9 | 174.1 | -178.5 | 173.7 | 0 | 110.4 | Q575 | K573-Q575 PolarHBondContact O-N 2.78Š| ||
| 574 | I | 32.7 | Very low | 32.5 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 80% | 0.795 | 73% | 0.726 | S | S | * | * | trans | -75.9 | 112.6 | 165.9 | -63.2 | -178.2 | 0 | 0 | 0 | 108.5 | L572 | L572-I574 PolarHBondContact O-N 2.89Š| ||
| 575 | Q | 32.3 | Very low | 33 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | trans | -81.6 | 114.7 | -178.8 | -175.2 | 172.6 | 1.2 | 0 | 0 | 110.1 | K573 S577 | K573-Q575 PolarHBondContact O-N 2.78Å; Q575-S577 PolarHBondContact O-N 3.46Å | ||
| 576 | T | 27 | Very low | 33.4 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | trans | -81.3 | 100.8 | 179.7 | 40.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 577 | S | 31.1 | Very low | 33.4 | Very low | 86 Ų | 86 | 143.1 Ų | 143.1 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | trans | -149.4 | 143.2 | 175.9 | -68 | 0 | 0 | 0 | 0 | 112.8 | Q575 | Q575-S577 PolarHBondContact O-N 3.46Š| ||
| 578 | S | 31.4 | Very low | 33.5 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | 43.6 | 107.7 | 149.8 | 55.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 579 | M | 30 | Very low | 33.8 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | 92.6 | 149 | 69.2 | -86.4 | -161.9 | 92.9 | 0 | 0 | 114.6 | |||||
| 580 | Q | 33.2 | Very low | 33.7 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | 75.2 | 120.7 | 160.2 | -72.4 | 156.2 | 11.6 | 0 | 0 | 116.7 | ||||
| 581 | H | 31.9 | Very low | 33.7 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | 82.6 | 134.8 | 87.8 | -133.1 | -108.5 | 0 | 0 | 0 | 110.2 | |||||
| 582 | V | 38.2 | Very low | 34 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | cis | -158.2 | 166.8 | 34.4 | -149.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 583 | Q | 34.6 | Very low | 34 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 77% | 0.771 | 74% | 0.737 | S | S | * | * | trans | 24.6 | 140 | 155.8 | -98.8 | 68.4 | -26.7 | 0 | 0 | 122.7 | ||||
| 584 | G | 35.7 | Very low | 34.1 | Very low | 62 Ų | 62 | 134.1 Ų | 134.1 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | cis | 153.6 | 147.9 | -10.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 585 | H | 39.7 | Very low | 34 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 82% | 0.819 | 73% | 0.728 | S | S | * | * | trans | 68.1 | 163.8 | 159.3 | -52.8 | -65.8 | 0 | 0 | 0 | 120.6 | ||||
| 586 | P | 37.2 | Very low | 34.1 | Very low | 87 Ų | 87 | 131.2 Ų | 131.2 | 57% | 0.565 | 73% | 0.731 | S | S | * | * | cis | -122.3 | 146.9 | -21.6 | 20 | 2.6 | 0 | 0 | 0 | 113.6 | ||||
| 587 | Y | 32.9 | Very low | 34.6 | Very low | 214 Ų | 214 | 131.3 Ų | 131.3 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | 161 | 154.5 | 101.6 | -83.3 | -63.3 | 0 | 0 | 0 | 108 | |||||
| 588 | H | 33.2 | Very low | 34.8 | Very low | 138 Ų | 138 | 132 Ų | 132 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | cis | 76.7 | 121.4 | 1.4 | -165.1 | -81.4 | 0 | 0 | 0 | 117.8 | T590 | H588-T590 PolarHBondContact CD2-OG1 2.78Š| ||
| 589 | P | 37.3 | Very low | 34.8 | Very low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 74% | 0.736 | S | S | * | * | cis | -115.4 | 167.2 | 25.4 | 41.6 | -32.9 | 0 | 0 | 0 | 115.4 | ||||
| 590 | T | 33 | Very low | 35.1 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 61% | 0.613 | 74% | 0.735 | S | S | * | * | cis | 98.8 | 148.8 | 9.9 | -53.4 | 0 | 0 | 0 | 0 | 116.3 | H588 | H588-T590 PolarHBondContact CD2-OG1 2.78Š| ||
| 591 | L | 38 | Very low | 35.3 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | 97 | 125.4 | -174 | -55.5 | 173.5 | 0 | 0 | 0 | 113.6 | ||||
| 592 | M | 36.2 | Very low | 35.9 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | cis | -159.2 | 144 | -7.1 | -133 | -173.7 | -171.7 | 0 | 0 | 113.7 | ||||
| 593 | N | 36 | Very low | 36.1 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | trans | 52.9 | 139.7 | 150.1 | -60.4 | -10.3 | 0 | 0 | 0 | 123.2 | ||||
| 594 | G | 34.2 | Very low | 36.5 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 76% | 0.763 | 74% | 0.735 | S | S | * | * | trans | 116.8 | 54.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 595 | S | 31.9 | Very low | 37.1 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | 63 | 97.7 | 86.3 | -176.8 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 596 | L | 33.4 | Very low | 37.6 | Very low | 164 Ų | 164 | 129 Ų | 129 | 86% | 0.859 | 72% | 0.722 | S | S | * | * | trans | 59.3 | 111.5 | 148.5 | -57.3 | 170.8 | 0 | 0 | 0 | 119 | ||||
| 597 | V | 38.2 | Very low | 38.3 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 84% | 0.842 | 72% | 0.72 | S | S | * | * | -160 | 140.5 | 110 | 147 | 0 | 0 | 0 | 0 | 110 | |||||
| 598 | S | 35.3 | Very low | 39.3 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | -30.6 | 125.4 | 163.7 | -91.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 599 | S | 31.7 | Very low | 40.4 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | 80.8 | 142.1 | 69.2 | 78.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 600 | H | 34.6 | Very low | 41.6 | Very low | 166 Ų | 166 | 124.2 Ų | 124.2 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | trans | 92.9 | 59.7 | 169.8 | -148.9 | 84.9 | 0 | 0 | 0 | 117.9 | ||||
| 601 | M | 38.5 | Very low | 43.1 | Very low | 178 Ų | 178 | 121.8 Ų | 121.8 | 88% | 0.877 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -142.6 | 1.8 | 161.9 | -88.4 | -60.7 | -179.9 | 0 | 0 | 115.4 | ||
| 602 | N | 43.2 | Very low | 43.9 | Very low | 113 Ų | 113 | 119.7 Ų | 119.7 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | trans | -114 | 7.7 | -159.4 | -63.1 | 35.6 | 0 | 0 | 0 | 115.8 | L606 | N602-L606 WeakPolarHBondContact O-CD1 3.42Š| ||
| 603 | N | 42.6 | Very low | 45.1 | Very low | 130 Ų | 130 | 115.7 Ų | 115.7 | 70% | 0.695 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -82.7 | -28 | -168.7 | -76.5 | -4.1 | 0 | 0 | 0 | 115 | S607 | N603-S607 PolarHBondContact O-N 3.29Å |
| 604 | E | 42.9 | Very low | 46 | Very low | 161 Ų | 161 | 113.4 Ų | 113.4 | 75% | 0.752 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -81.7 | -36.3 | -178.1 | -77.1 | 165.9 | 132.7 | 0 | 0 | 112.8 | L606 S607 L608 | E604-L606 VanDerWaalsContact C-N 3.34Å; E604-L606 PolarHBondContact O-N 3.25Å; E604-S607 WeakPolarHBondContact O-CA 3.28Å; E604-S607 VanDerWaalsContact O-CB 3.31Å; E604-S607 WeakPolarHBondContact O-CB 3.43Å; E604-S607 PolarHBondContact O-N 3.29Å; E604-L608 PolarHBondContact O-N 2.84Å |
| 605 | A | 48.7 | Very low | 46.8 | Very low | 72 Ų | 72 | 116 Ų | 116 | 60% | 0.595 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58.7 | -42.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S607 L608 Q609 | A605-S607 VanDerWaalsContact C-N 3.32Å; A605-S607 PolarHBondContact O-N 3.43Å; A605-L608 PolarHBondContact O-N 2.83Å; A605-Q609 WeakPolarHBondContact O-CB 3.23Å; A605-Q609 PolarHBondContact O-N 3.03Å |
| 606 | L | 50.8 | Low | 47.9 | Very low | 112 Ų | 112 | 116.9 Ų | 116.9 | 59% | 0.586 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.1 | -27.9 | 173 | -89.8 | 115.8 | 0 | 0 | 0 | 113 | N602 E604 K610 | N602-L606 WeakPolarHBondContact O-CD1 3.42Å; E604-L606 VanDerWaalsContact C-N 3.34Å; E604-L606 PolarHBondContact O-N 3.25Å; L606-K610 WeakPolarHBondContact O-CB 3.45Å; L606-K610 PolarHBondContact O-N 3.18Å |
| 607 | S | 51.1 | Low | 48.8 | Very low | 76 Ų | 76 | 111 Ų | 111 | 53% | 0.531 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.7 | -47.2 | 173.8 | -163.4 | 0 | 0 | 0 | 0 | 111.1 | N603 E604 A605 K610 A611 | N603-S607 PolarHBondContact O-N 3.29Å; E604-S607 WeakPolarHBondContact O-CA 3.28Å; E604-S607 VanDerWaalsContact O-CB 3.31Å; E604-S607 WeakPolarHBondContact O-CB 3.43Å; E604-S607 PolarHBondContact O-N 3.29Å; A605-S607 VanDerWaalsContact C-N 3.32Å; A605-S607 PolarHBondContact O-N 3.43Å; S607-K610 PolarHBondContact O-N 3.33Å; S607-A611 WeakPolarHBondContact O-CB 3.41Å; S607-A611 PolarHBondContact O-N 3.35Å |
| 608 | L | 54.3 | Low | 49.4 | Very low | 91 Ų | 91 | 112.6 Ų | 112.6 | 48% | 0.476 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.8 | -42.1 | 175.6 | -71.7 | 176.1 | 0 | 0 | 0 | 112.2 | F286 E604 A605 K610 A611 L612 | F286-L608 HydrophobicContact CD2-CD1 4.38Å; F286-L608 HydrophobicContact CE2-CD1 4.16Å; E604-L608 PolarHBondContact O-N 2.84Å; A605-L608 PolarHBondContact O-N 2.83Å; L608-K610 VanDerWaalsContact C-N 3.31Å; L608-K610 PolarHBondContact O-N 3.11Å; L608-A611 PolarHBondContact O-N 3.07Å; L608-L612 WeakPolarHBondContact O-CB 3.32Å; L608-L612 WeakPolarHBondContact O-CG 3.34Å; L608-L612 PolarHBondContact O-N 2.9Å |
| 609 | Q | 55.8 | Low | 50.1 | Low | 128 Ų | 128 | 113.8 Ų | 113.8 | 60% | 0.598 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.4 | -42.3 | 174.7 | -168 | 176.9 | 19.9 | 0 | 0 | 111.1 | A605 L612 S613 | A605-Q609 WeakPolarHBondContact O-CB 3.23Å; A605-Q609 PolarHBondContact O-N 3.03Å; Q609-L612 PolarHBondContact O-N 3.38Å; Q609-S613 PolarHBondContact O-N 2.81Å; Q609-S613 PolarHBondContact O-OG 3Å; Q609-S613 VanDerWaalsContact O-OG 3.08Å |
| 610 | K | 62.9 | Low | 50.7 | Low | 152 Ų | 152 | 112.7 Ų | 112.7 | 66% | 0.661 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.1 | -30 | 178 | -160.2 | 169.3 | -170.5 | 174.6 | 0 | 113 | L606 S607 L608 N614 | L606-K610 WeakPolarHBondContact O-CB 3.45Å; L606-K610 PolarHBondContact O-N 3.18Å; S607-K610 PolarHBondContact O-N 3.33Å; L608-K610 VanDerWaalsContact C-N 3.31Å; L608-K610 PolarHBondContact O-N 3.11Å; K610-N614 WeakPolarHBondContact O-CB 3.5Å; K610-N614 PolarHBondContact O-N 2.84Å |
| 611 | A | 63.9 | Low | 51.6 | Low | 49 Ų | 49 | 110.4 Ų | 110.4 | 41% | 0.405 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.4 | -42.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S607 L608 N614 M615 | S607-A611 WeakPolarHBondContact O-CB 3.41Å; S607-A611 PolarHBondContact O-N 3.35Å; L608-A611 PolarHBondContact O-N 3.07Å; A611-N614 CarbonylContact O-C 3.56Å; A611-N614 PolarHBondContact O-N 2.93Å; A611-M615 WeakPolarHBondContact O-CG 3.48Å; A611-M615 PolarHBondContact O-N 3.49Å |
| 612 | L | 56.4 | Low | 52.3 | Low | 103 Ų | 103 | 106.4 Ų | 106.4 | 54% | 0.539 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.4 | -41.9 | 173.5 | -75.3 | 166.3 | 0 | 0 | 0 | 111.8 | L608 Q609 N614 M615 H616 | L608-L612 WeakPolarHBondContact O-CB 3.32Å; L608-L612 WeakPolarHBondContact O-CG 3.34Å; L608-L612 PolarHBondContact O-N 2.9Å; Q609-L612 PolarHBondContact O-N 3.38Å; L612-N614 VanDerWaalsContact C-N 3.31Å; L612-N614 PolarHBondContact O-N 2.83Å; L612-M615 WeakPolarHBondContact O-CB 3.31Å; L612-M615 PolarHBondContact O-N 2.82Å; L612-M615 VanDerWaalsContact O-N 3.15Å; L612-H616 PolarHBondContact O-N 3.49Å; L612-H616 PolarHBondContact O-ND1 3.18Å |
| 613 | S | 60.2 | Low | 52.3 | Low | 68 Ų | 68 | 103.3 Ų | 103.3 | 48% | 0.476 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62 | -37.7 | 171.6 | -60 | 0 | 0 | 0 | 0 | 112.1 | Q609 H616 A617 | Q609-S613 PolarHBondContact O-N 2.81Å; Q609-S613 PolarHBondContact O-OG 3Å; Q609-S613 VanDerWaalsContact O-OG 3.08Å; S613-H616 PolarHBondContact O-N 3.42Å; S613-A617 VanDerWaalsContact O-CB 3.23Å; S613-A617 WeakPolarHBondContact O-CB 3.36Å; S613-A617 PolarHBondContact O-N 2.74Å |
| 614 | N | 55.5 | Low | 52.3 | Low | 98 Ų | 98 | 102.5 Ų | 102.5 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.4 | -25.3 | 173.8 | -81 | -3 | 0 | 0 | 0 | 113.4 | K610 A611 L612 R618 | K610-N614 WeakPolarHBondContact O-CB 3.5Å; K610-N614 PolarHBondContact O-N 2.84Å; A611-N614 CarbonylContact O-C 3.56Å; A611-N614 PolarHBondContact O-N 2.93Å; L612-N614 VanDerWaalsContact C-N 3.31Å; L612-N614 PolarHBondContact O-N 2.83Å; N614-R618 VanDerWaalsContact O-CB 3.26Å; N614-R618 WeakPolarHBondContact O-CB 3.29Å; N614-R618 VanDerWaalsContact O-CG 3.26Å; N614-R618 WeakPolarHBondContact O-CG 3.31Å; N614-R618 PolarHBondContact O-N 3.29Å |
| 615 | M | 51 | Low | 52.3 | Low | 128 Ų | 128 | 97.6 Ų | 97.6 | 63% | 0.631 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72 | -45.9 | 170.7 | -77.7 | -75.8 | -74 | 0 | 0 | 110.9 | A611 L612 R618 H619 | A611-M615 WeakPolarHBondContact O-CG 3.48Å; A611-M615 PolarHBondContact O-N 3.49Å; L612-M615 WeakPolarHBondContact O-CB 3.31Å; L612-M615 PolarHBondContact O-N 2.82Å; L612-M615 VanDerWaalsContact O-N 3.15Å; M615-R618 PolarHBondContact O-N 3.49Å; M615-H619 PolarHBondContact O-N 3.38Å |
| 616 | H | 54.6 | Low | 52.5 | Low | 121 Ų | 121 | 99 Ų | 99 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.4 | -49.6 | 174.4 | -71.6 | 82.2 | 0 | 0 | 0 | 110.9 | L612 S613 R618 H619 D620 | L612-H616 PolarHBondContact O-N 3.49Å; L612-H616 PolarHBondContact O-ND1 3.18Å; S613-H616 PolarHBondContact O-N 3.42Å; H616-R618 PolarHBondContact O-N 3.13Å; H616-R618 VanDerWaalsContact O-N 3.17Å; H616-H619 CarbonylContact O-C 3.6Å; H616-H619 WeakPolarHBondContact O-CA 3.21Å; H616-H619 WeakPolarHBondContact O-CB 3.2Å; H616-H619 PolarHBondContact O-N 2.7Å; H616-D620 VanDerWaalsContact O-CG 3.32Å; H616-D620 PolarHBondContact O-N 2.96Å |
| 617 | A | 53.1 | Low | 52.4 | Low | 41 Ų | 41 | 99.1 Ų | 99.1 | 34% | 0.339 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60 | -29.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | S613 I621 | S613-A617 VanDerWaalsContact O-CB 3.23Å; S613-A617 WeakPolarHBondContact O-CB 3.36Å; S613-A617 PolarHBondContact O-N 2.74Å; A617-I621 WeakPolarHBondContact O-CB 3.21Å; A617-I621 WeakPolarHBondContact O-CD1 3.18Å; A617-I621 WeakPolarHBondContact O-CG1 3.27Å; A617-I621 PolarHBondContact O-N 3.48Å |
| 618 | R | 49.8 | Very low | 52.2 | Low | 173 Ų | 173 | 103.9 Ų | 103.9 | 65% | 0.653 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -73.5 | -37.5 | 169.6 | -85.2 | 177 | 163.4 | 164.5 | -3.1 | 112.7 | N614 M615 H616 D620 I621 I622 | N614-R618 VanDerWaalsContact O-CB 3.26Å; N614-R618 WeakPolarHBondContact O-CB 3.29Å; N614-R618 VanDerWaalsContact O-CG 3.26Å; N614-R618 WeakPolarHBondContact O-CG 3.31Å; N614-R618 PolarHBondContact O-N 3.29Å; M615-R618 PolarHBondContact O-N 3.49Å; H616-R618 PolarHBondContact O-N 3.13Å; H616-R618 VanDerWaalsContact O-N 3.17Å; R618-D620 VanDerWaalsContact C-N 3.31Å; R618-I621 PolarHBondContact O-N 3.44Å; R618-I622 VanDerWaalsContact O-CB 3.3Å; R618-I622 WeakPolarHBondContact O-CB 3.23Å; R618-I622 WeakPolarHBondContact O-CD1 3.3Å; R618-I622 WeakPolarHBondContact O-CG1 3.25Å; R618-I622 PolarHBondContact O-N 2.8Å |
| 619 | H | 50 | Low | 52.2 | Low | 125 Ų | 125 | 103.3 Ų | 103.3 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.1 | -38 | 172.8 | -157.7 | -98.9 | 0 | 0 | 0 | 111.1 | M615 H616 I622 S623 | M615-H619 PolarHBondContact O-N 3.38Å; H616-H619 CarbonylContact O-C 3.6Å; H616-H619 WeakPolarHBondContact O-CA 3.21Å; H616-H619 WeakPolarHBondContact O-CB 3.2Å; H616-H619 PolarHBondContact O-N 2.7Å; H619-I622 PolarHBondContact O-N 2.81Å; H619-S623 WeakPolarHBondContact O-CA 3.28Å; H619-S623 WeakPolarHBondContact O-CB 3.23Å; H619-S623 PolarHBondContact O-N 3.39Å |
| 620 | D | 44.7 | Very low | 52.6 | Low | 81 Ų | 81 | 100.6 Ų | 100.6 | 43% | 0.433 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.8 | -42 | 175 | -63.2 | -36.9 | 0 | 0 | 0 | 111.8 | H616 R618 I622 S623 H624 | H616-D620 VanDerWaalsContact O-CG 3.32Å; H616-D620 PolarHBondContact O-N 2.96Å; R618-D620 VanDerWaalsContact C-N 3.31Å; D620-I622 PolarHBondContact O-N 2.86Å; D620-S623 PolarHBondContact O-N 3.39Å; D620-H624 WeakPolarHBondContact O-CB 3.11Å; D620-H624 PolarHBondContact O-CD2 2.79Å; D620-H624 PolarHBondContact O-N 2.69Å |
| 621 | I | 54.2 | Low | 53.7 | Low | 118 Ų | 118 | 100.8 Ų | 100.8 | 61% | 0.605 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.4 | -39.7 | 173.5 | -72.3 | 164.1 | 0 | 0 | 0 | 111.2 | A617 R618 S625 | A617-I621 WeakPolarHBondContact O-CB 3.21Å; A617-I621 WeakPolarHBondContact O-CD1 3.18Å; A617-I621 WeakPolarHBondContact O-CG1 3.27Å; A617-I621 PolarHBondContact O-N 3.48Å; R618-I621 PolarHBondContact O-N 3.44Å; I621-S625 WeakPolarHBondContact O-CB 3.34Å; I621-S625 PolarHBondContact O-N 2.64Å |
| 622 | I | 52.3 | Low | 55 | Low | 94 Ų | 94 | 98.9 Ų | 98.9 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.2 | -43.3 | 175.9 | -69.6 | 166.7 | 0 | 0 | 0 | 110.5 | R618 H619 D620 S625 I626 | R618-I622 VanDerWaalsContact O-CB 3.3Å; R618-I622 WeakPolarHBondContact O-CB 3.23Å; R618-I622 WeakPolarHBondContact O-CD1 3.3Å; R618-I622 WeakPolarHBondContact O-CG1 3.25Å; R618-I622 PolarHBondContact O-N 2.8Å; H619-I622 PolarHBondContact O-N 2.81Å; D620-I622 PolarHBondContact O-N 2.86Å; I622-S625 PolarHBondContact O-N 3.49Å; I622-S625 PolarHBondContact O-OG 3.22Å; I622-I626 HydrophobicContact CG2-CD1 3.89Å; I622-I626 VanDerWaalsContact O-CG1 3.31Å; I622-I626 WeakPolarHBondContact O-CG1 3.23Å; I622-I626 PolarHBondContact O-N 3.22Å |
| 623 | S | 43.9 | Very low | 56.8 | Low | 48 Ų | 48 | 98.8 Ų | 98.8 | 34% | 0.336 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.8 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | H619 D620 S625 I626 Q627 | H619-S623 WeakPolarHBondContact O-CA 3.28Å; H619-S623 WeakPolarHBondContact O-CB 3.23Å; H619-S623 PolarHBondContact O-N 3.39Å; D620-S623 PolarHBondContact O-N 3.39Å; S623-S625 PolarHBondContact O-N 3.34Å; S623-I626 CarbonylContact O-C 3.58Å; S623-I626 WeakPolarHBondContact O-CA 3.35Å; S623-I626 WeakPolarHBondContact O-CB 3.29Å; S623-I626 PolarHBondContact O-N 3.17Å; S623-I626 VanDerWaalsContact O-N 3.1Å; S623-Q627 WeakPolarHBondContact O-CB 3.36Å; S623-Q627 PolarHBondContact O-N 3.35Å |
| 624 | H | 41.3 | Very low | 58.5 | Low | 114 Ų | 114 | 95.7 Ų | 95.7 | 53% | 0.528 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 172.3 | -66.9 | -17.5 | 0 | 0 | 0 | 111.9 | D620 I626 Q627 E628 | D620-H624 WeakPolarHBondContact O-CB 3.11Å; D620-H624 PolarHBondContact O-CD2 2.79Å; D620-H624 PolarHBondContact O-N 2.69Å; H624-I626 VanDerWaalsContact C-N 3.31Å; H624-I626 PolarHBondContact O-N 2.8Å; H624-Q627 CarbonylContact O-C 3.47Å; H624-Q627 PolarHBondContact O-N 2.82Å; H624-Q627 VanDerWaalsContact O-N 3.15Å; H624-E628 PolarHBondContact O-N 3.39Å |
| 625 | S | 44.7 | Very low | 60.3 | Low | 58 Ų | 58 | 96.9 Ų | 96.9 | 41% | 0.406 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.9 | -30.7 | 171.8 | 79.8 | 0 | 0 | 0 | 0 | 113.2 | I621 I622 S623 Q627 M629 | I621-S625 WeakPolarHBondContact O-CB 3.34Å; I621-S625 PolarHBondContact O-N 2.64Å; I622-S625 PolarHBondContact O-N 3.49Å; I622-S625 PolarHBondContact O-OG 3.22Å; S623-S625 PolarHBondContact O-N 3.34Å; S625-Q627 VanDerWaalsContact C-N 3.34Å; S625-M629 VanDerWaalsContact O-CB 3.3Å; S625-M629 WeakPolarHBondContact O-CB 2.9Å; S625-M629 PolarHBondContact O-N 2.85Å |
| 626 | I | 52.6 | Low | 62.5 | Low | 102 Ų | 102 | 94 Ų | 94 | 52% | 0.523 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -74.8 | -27.9 | 173.2 | -69.5 | 164.8 | 0 | 0 | 0 | 110.9 | I622 S623 H624 M629 | I622-I626 HydrophobicContact CG2-CD1 3.89Å; I622-I626 VanDerWaalsContact O-CG1 3.31Å; I622-I626 WeakPolarHBondContact O-CG1 3.23Å; I622-I626 PolarHBondContact O-N 3.22Å; S623-I626 CarbonylContact O-C 3.58Å; S623-I626 WeakPolarHBondContact O-CA 3.35Å; S623-I626 WeakPolarHBondContact O-CB 3.29Å; S623-I626 PolarHBondContact O-N 3.17Å; S623-I626 VanDerWaalsContact O-N 3.1Å; H624-I626 VanDerWaalsContact C-N 3.31Å; H624-I626 PolarHBondContact O-N 2.8Å; I626-M629 HydrophobicContact CG1-CE 4.5Å; I626-M629 CarbonylContact O-C 3.59Å |
| 627 | Q | 47.8 | Very low | 64.5 | Low | 113 Ų | 113 | 88.6 Ų | 88.6 | 53% | 0.528 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -86.9 | -32.4 | 178.9 | -165.7 | 130.1 | 62.6 | 0 | 0 | 113.3 | S623 H624 S625 M629 E630 | S623-Q627 WeakPolarHBondContact O-CB 3.36Å; S623-Q627 PolarHBondContact O-N 3.35Å; H624-Q627 CarbonylContact O-C 3.47Å; H624-Q627 PolarHBondContact O-N 2.82Å; H624-Q627 VanDerWaalsContact O-N 3.15Å; S625-Q627 VanDerWaalsContact C-N 3.34Å; Q627-M629 PolarHBondContact O-N 3.46Å; Q627-E630 PolarHBondContact NE2-OE2 2.78Å; Q627-E630 WeakPolarHBondContact O-CB 3.32Å; Q627-E630 PolarHBondContact O-N 3.47Å |
| 628 | E | 46.6 | Very low | 66.6 | Low | 177 Ų | 177 | 86.7 Ų | 86.7 | 83% | 0.827 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66 | -27.7 | 164.6 | -73 | -169.6 | 143.1 | 0 | 0 | 111.1 | H624 E630 | H624-E628 PolarHBondContact O-N 3.39Å; E628-E630 PolarHBondContact O-N 2.91Å |
| 629 | M | 54.3 | Low | 68.8 | Low | 78 Ų | 78 | 83.7 Ų | 83.7 | 38% | 0.384 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 9.9 | 169.2 | -172.3 | 160 | 43 | 0 | 0 | 113.3 | S625 I626 Q627 W691 | S625-M629 VanDerWaalsContact O-CB 3.3Å; S625-M629 WeakPolarHBondContact O-CB 2.9Å; S625-M629 PolarHBondContact O-N 2.85Å; I626-M629 HydrophobicContact CG1-CE 4.5Å; I626-M629 CarbonylContact O-C 3.59Å; Q627-M629 PolarHBondContact O-N 3.46Å; M629-W691 HydrophobicContact CG-CH2 4.46Å; M629-W691 HydrophobicContact SD-CE3 4.26Å; M629-W691 HydrophobicContact SD-CH2 3.65Å; M629-W691 HydrophobicContact SD-CZ2 4.5Å; M629-W691 HydrophobicContact SD-CZ3 3.5Å; M629-W691 WeakPolarHBondContact SD-CZ3 3.31Å |
| 630 | E | 65.6 | Low | 71.1 | Confident | 72 Ų | 72 | 84.6 Ų | 84.6 | 34% | 0.336 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -0.2 | -177.9 | -168.5 | 152.5 | -146.3 | 0 | 0 | 115.3 | Q627 E628 W677 R684 | Q627-E630 PolarHBondContact NE2-OE2 2.78Å; Q627-E630 WeakPolarHBondContact O-CB 3.32Å; Q627-E630 PolarHBondContact O-N 3.47Å; E628-E630 PolarHBondContact O-N 2.91Å; E630-W677 VanDerWaalsContact O-CE2 3.32Å; E630-W677 PolarHBondContact O-NE1 3.16Å; E630-R684 IonicContact OE1-NH1 3.69Å; E630-R684 PolarHBondContact OE1-NH1 3.41Å; E630-R684 VanDerWaalsContact OE1-NH1 3.12Å |
| 631 | E | 85.4 | Confident | 73.6 | Confident | 155 Ų | 155 | 80.8 Ų | 80.8 | 72% | 0.724 | 40% | 0.397 | S | S | * | . | trans | -123.9 | 104.7 | 168.4 | -174 | 149.2 | -133.9 | 0 | 0 | 114.3 | ||||
| 632 | I | 90.6 | Very high | 75.7 | Confident | 10 Ų | 10 | 76.8 Ų | 76.8 | 5% | 0.051 | 38% | 0.379 | C | S | . | . | trans | -105.7 | 117.9 | 175.9 | -63.2 | 177.7 | 0 | 0 | 0 | 109.5 | T634 L637 W677 R688 W691 | I632-T634 PolarHBondContact O-N 3.29Å; I632-L637 HydrophobicContact CG2-CB 4.3Å; I632-L637 HydrophobicContact CG2-CD2 3.55Å; I632-W677 HydrophobicContact CB-CD2 4.3Å; I632-W677 HydrophobicContact CB-CE3 3.9Å; I632-W677 HydrophobicContact CB-CH2 4.29Å; I632-W677 HydrophobicContact CB-CZ3 3.9Å; I632-W677 HydrophobicContact CD1-CH2 3.87Å; I632-W677 HydrophobicContact CD1-CZ3 3.99Å; I632-W677 HydrophobicContact CG1-CH2 4.19Å; I632-W677 HydrophobicContact CG1-CZ3 4.26Å; I632-W677 WeakPolarHBondContact O-CB 3.48Å; I632-R688 HydrophobicContact CD1-CG 4.16Å; I632-W691 HydrophobicContact CD1-CB 3.96Å; I632-W691 HydrophobicContact CD1-CD2 4.5Å; I632-W691 HydrophobicContact CD1-CG 3.93Å | ||
| 633 | N | 94.1 | Very high | 77.8 | Confident | 100 Ų | 100 | 75.7 Ų | 75.7 | 54% | 0.535 | 38% | 0.38 | S | S | . | . | trans | -66.7 | 96.9 | 170.3 | -172.2 | -47.3 | 0 | 0 | 0 | 110.5 | K635 V636 L637 | N633-K635 VanDerWaalsContact C-N 3.3Å; N633-K635 PolarHBondContact O-N 2.97Å; N633-K635 PolarHBondContact OD1-N 3.42Å; N633-V636 HydrophobicContact CB-CB 4.26Å; N633-V636 HydrophobicContact CB-CG2 4.39Å; N633-V636 PolarHBondContact O-N 2.82Å; N633-V636 WeakPolarHBondContact OD1-CG2 3.4Å; N633-V636 PolarHBondContact OD1-N 3.4Å; N633-L637 WeakPolarHBondContact O-CB 3.47Å; N633-L637 PolarHBondContact O-N 3.3Å | ||
| 634 | T | 95.6 | Very high | 80.3 | Confident | 4 Ų | 4 | 74.2 Ų | 74.2 | 3% | 0.025 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.1 | -33.7 | -174.9 | 52.2 | 0 | 0 | 0 | 0 | 113 | I632 A638 K675 W677 L680 F687 | I632-T634 PolarHBondContact O-N 3.29Å; T634-A638 WeakPolarHBondContact O-CB 3.29Å; T634-A638 PolarHBondContact O-N 2.94Å; T634-K675 WeakPolarHBondContact CB-O 3.48Å; T634-K675 PolarHBondContact OG1-O 3.43Å; T634-W677 HydrophobicContact CG2-CB 4.13Å; T634-W677 HydrophobicContact CG2-CE3 3.93Å; T634-L680 HydrophobicContact CG2-CD1 3.8Å; T634-F687 HydrophobicContact CG2-CD1 3.96Å; T634-F687 HydrophobicContact CG2-CD2 4.14Å; T634-F687 HydrophobicContact CG2-CE1 4.11Å; T634-F687 HydrophobicContact CG2-CE2 4.28Å; T634-F687 HydrophobicContact CG2-CG 3.98Å; T634-F687 HydrophobicContact CG2-CZ 4.26Å |
| 635 | K | 94.9 | Very high | 82.9 | Confident | 123 Ų | 123 | 69.3 Ų | 69.3 | 54% | 0.535 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.6 | -50.1 | 177.2 | -168.9 | 175.2 | -177.8 | 177.7 | 0 | 110.6 | N633 A638 H639 P674 | N633-K635 VanDerWaalsContact C-N 3.3Å; N633-K635 PolarHBondContact O-N 2.97Å; N633-K635 PolarHBondContact OD1-N 3.42Å; K635-A638 PolarHBondContact O-N 3.16Å; K635-H639 PolarHBondContact O-N 3.47Å; K635-H639 PolarHBondContact O-ND1 2.89Å; K635-P674 HydrophobicContact CB-CG 4.33Å; K635-P674 HydrophobicContact CG-CG 4.47Å |
| 636 | V | 96.1 | Very high | 85.4 | Confident | 68 Ų | 68 | 74.6 Ų | 74.6 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64 | -43 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | N633 H639 R640 | N633-V636 HydrophobicContact CB-CB 4.26Å; N633-V636 HydrophobicContact CB-CG2 4.39Å; N633-V636 PolarHBondContact O-N 2.82Å; N633-V636 WeakPolarHBondContact OD1-CG2 3.4Å; N633-V636 PolarHBondContact OD1-N 3.4Å; V636-H639 PolarHBondContact O-N 3.23Å; V636-R640 WeakPolarHBondContact O-CG 3.39Å; V636-R640 PolarHBondContact O-N 3.03Å |
| 637 | L | 96.7 | Very high | 87.5 | Confident | 7 Ų | 7 | 77.7 Ų | 77.7 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 177.5 | 177.2 | 58.8 | 0 | 0 | 0 | 112.2 | I632 N633 H639 R640 I641 F687 M690 W691 L694 | I632-L637 HydrophobicContact CG2-CB 4.3Å; I632-L637 HydrophobicContact CG2-CD2 3.55Å; N633-L637 WeakPolarHBondContact O-CB 3.47Å; N633-L637 PolarHBondContact O-N 3.3Å; L637-H639 VanDerWaalsContact C-N 3.27Å; L637-H639 PolarHBondContact O-N 3.45Å; L637-R640 PolarHBondContact O-N 2.88Å; L637-R640 VanDerWaalsContact O-N 3.16Å; L637-I641 HydrophobicContact CD1-CD1 4.39Å; L637-I641 HydrophobicContact CD1-CG1 3.95Å; L637-I641 HydrophobicContact CG-CG1 4.37Å; L637-I641 WeakPolarHBondContact O-CG1 3.42Å; L637-I641 PolarHBondContact O-N 3.35Å; L637-F687 HydrophobicContact CD2-CB 4.23Å; L637-F687 HydrophobicContact CD2-CD1 4.12Å; L637-F687 WeakPolarHBondContact CD2-O 3.19Å; L637-M690 HydrophobicContact CD1-CB 4.46Å; L637-M690 HydrophobicContact CD2-CB 4.13Å; L637-M690 HydrophobicContact CG-CB 4.38Å; L637-W691 HydrophobicContact CD1-CB 4.32Å; L637-W691 HydrophobicContact CD2-CB 3.83Å; L637-L694 HydrophobicContact CD1-CD2 3.86Å |
| 638 | A | 97.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T634 K635 S642 L671 P674 | T634-A638 WeakPolarHBondContact O-CB 3.29Å; T634-A638 PolarHBondContact O-N 2.94Å; K635-A638 PolarHBondContact O-N 3.16Å; A638-S642 VanDerWaalsContact O-CB 3.3Å; A638-S642 WeakPolarHBondContact O-CB 3.31Å; A638-S642 PolarHBondContact O-N 3.06Å; A638-S642 PolarHBondContact O-OG 3.02Å; A638-L671 HydrophobicContact CB-CD2 4.02Å; A638-P674 HydrophobicContact CB-CB 4.04Å; A638-P674 HydrophobicContact CB-CG 3.9Å |
| 639 | H | 96.9 | Very high | 92 | Very high | 110 Ų | 110 | 72 Ų | 72 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.1 | -44.3 | 174.5 | -74 | 72.7 | 0 | 0 | 0 | 111.7 | K635 V636 L637 I641 S642 S643 | K635-H639 PolarHBondContact O-N 3.47Å; K635-H639 PolarHBondContact O-ND1 2.89Å; V636-H639 PolarHBondContact O-N 3.23Å; L637-H639 VanDerWaalsContact C-N 3.27Å; L637-H639 PolarHBondContact O-N 3.45Å; H639-I641 PolarHBondContact O-N 3.11Å; H639-S642 PolarHBondContact O-N 2.86Å; H639-S643 PolarHBondContact O-N 2.86Å; H639-S643 PolarHBondContact O-OG 2.84Å |
| 640 | R | 97.1 | Very high | 93.9 | Very high | 145 Ų | 145 | 69.2 Ų | 69.2 | 55% | 0.547 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 176.3 | -71 | -175.8 | -177.8 | -168.6 | 0.8 | 111.8 | V636 L637 S642 S643 E644 L694 | V636-R640 WeakPolarHBondContact O-CG 3.39Å; V636-R640 PolarHBondContact O-N 3.03Å; L637-R640 PolarHBondContact O-N 2.88Å; L637-R640 VanDerWaalsContact O-N 3.16Å; R640-S642 PolarHBondContact O-N 2.76Å; R640-S643 PolarHBondContact O-N 2.92Å; R640-E644 WeakPolarHBondContact O-CB 3.31Å; R640-E644 PolarHBondContact O-N 2.79Å; R640-L694 HydrophobicContact CB-CD2 3.68Å; R640-L694 HydrophobicContact CG-CD2 4.42Å |
| 641 | I | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 175.3 | -64.8 | -69.8 | 0 | 0 | 0 | 111.2 | L637 H639 S643 E644 L645 F655 L671 M690 W693 L694 | L637-I641 HydrophobicContact CD1-CD1 4.39Å; L637-I641 HydrophobicContact CD1-CG1 3.95Å; L637-I641 HydrophobicContact CG-CG1 4.37Å; L637-I641 WeakPolarHBondContact O-CG1 3.42Å; L637-I641 PolarHBondContact O-N 3.35Å; H639-I641 PolarHBondContact O-N 3.11Å; I641-S643 VanDerWaalsContact C-N 3.3Å; I641-S643 PolarHBondContact O-N 3.31Å; I641-E644 PolarHBondContact O-N 3.26Å; I641-L645 HydrophobicContact CG2-CD1 3.86Å; I641-L645 HydrophobicContact CG2-CG 4.22Å; I641-L645 VanDerWaalsContact O-CG 3.3Å; I641-L645 WeakPolarHBondContact O-CG 3.29Å; I641-L645 PolarHBondContact O-N 3.03Å; I641-F655 HydrophobicContact CD1-CZ 4.21Å; I641-F655 HydrophobicContact CG2-CE1 3.88Å; I641-F655 HydrophobicContact CG2-CZ 4.25Å; I641-L671 HydrophobicContact CB-CD2 4.07Å; I641-L671 HydrophobicContact CG2-CD1 4.36Å; I641-L671 HydrophobicContact CG2-CD2 3.85Å; I641-M690 HydrophobicContact CD1-CB 3.94Å; I641-M690 HydrophobicContact CD1-CG 4.47Å; I641-M690 WeakPolarHBondContact CD1-O 3.36Å; I641-M690 HydrophobicContact CG1-CB 3.99Å; I641-M690 HydrophobicContact CG1-CG 4.34Å; I641-M690 HydrophobicContact CG1-SD 4.47Å; I641-W693 HydrophobicContact CD1-CE3 4.05Å; I641-W693 HydrophobicContact CD1-CZ3 4.27Å; I641-L694 HydrophobicContact CD1-CB 4.18Å; I641-L694 HydrophobicContact CD1-CD1 4.37Å |
| 642 | S | 97.3 | Very high | 95.9 | Very high | 34 Ų | 34 | 64.9 Ų | 64.9 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 179 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | A638 H639 R640 K646 | A638-S642 VanDerWaalsContact O-CB 3.3Å; A638-S642 WeakPolarHBondContact O-CB 3.31Å; A638-S642 PolarHBondContact O-N 3.06Å; A638-S642 PolarHBondContact O-OG 3.02Å; H639-S642 PolarHBondContact O-N 2.86Å; R640-S642 PolarHBondContact O-N 2.76Å; S642-K646 VanDerWaalsContact O-CG 3.31Å; S642-K646 WeakPolarHBondContact O-CG 3.45Å; S642-K646 PolarHBondContact O-N 2.91Å |
| 643 | S | 96.9 | Very high | 96.1 | Very high | 71 Ų | 71 | 66.2 Ų | 66.2 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.4 | -38.9 | 174.3 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | H639 R640 I641 K646 R647 | H639-S643 PolarHBondContact O-N 2.86Å; H639-S643 PolarHBondContact O-OG 2.84Å; R640-S643 PolarHBondContact O-N 2.92Å; I641-S643 VanDerWaalsContact C-N 3.3Å; I641-S643 PolarHBondContact O-N 3.31Å; S643-K646 PolarHBondContact O-N 2.96Å; S643-R647 WeakPolarHBondContact O-CB 3.39Å; S643-R647 PolarHBondContact O-N 3.16Å |
| 644 | E | 96.5 | Very high | 96.1 | Very high | 18 Ų | 18 | 63.6 Ų | 63.6 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.8 | -41.7 | -178.6 | -151.7 | 73 | 163.1 | 0 | 0 | 111.9 | R640 I641 K646 R647 Y648 W693 L694 R701 | R640-E644 WeakPolarHBondContact O-CB 3.31Å; R640-E644 PolarHBondContact O-N 2.79Å; I641-E644 PolarHBondContact O-N 3.26Å; E644-K646 VanDerWaalsContact C-N 3.28Å; E644-K646 PolarHBondContact O-N 2.92Å; E644-R647 PolarHBondContact O-N 2.74Å; E644-R647 IonicContact OE1-NH1 2.81Å; E644-R647 PolarHBondContact OE1-NH1 3.2Å; E644-R647 IonicContact OE2-CZ 2.69Å; E644-R647 VanDerWaalsContact OE2-CZ 3.29Å; E644-R647 IonicContact OE2-NE 2.72Å; E644-R647 IonicContact OE2-NH1 2.72Å; E644-R647 PolarHBondContact OE2-NH1 3.02Å; E644-Y648 HydrophobicContact CG-CD2 4.11Å; E644-Y648 HydrophobicContact CG-CE2 3.92Å; E644-Y648 WeakPolarHBondContact O-CD2 3.39Å; E644-Y648 PolarHBondContact O-N 3.41Å; E644-W693 HydrophobicContact CB-CZ3 4.38Å; E644-W693 HydrophobicContact CG-CH2 4.24Å; E644-W693 HydrophobicContact CG-CZ3 4.18Å; E644-L694 HydrophobicContact CB-CD1 4.34Å; E644-L694 HydrophobicContact CG-CD1 4.24Å; E644-R701 IonicContact OE1-CZ 3.98Å; E644-R701 VanDerWaalsContact OE1-CZ 3.23Å; E644-R701 IonicContact OE1-NH1 2.69Å; E644-R701 PolarHBondContact OE1-NH1 3.23Å; E644-R701 IonicContact OE1-NH2 3.93Å; E644-R701 PolarHBondContact OE1-NH2 2.95Å |
| 645 | L | 96.9 | Very high | 96.2 | Very high | 10 Ų | 10 | 63.4 Ų | 63.4 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 172.8 | -65.5 | 176.2 | 0 | 0 | 0 | 111.7 | I641 S649 I650 Q652 F655 L667 L671 W693 | I641-L645 HydrophobicContact CG2-CD1 3.86Å; I641-L645 HydrophobicContact CG2-CG 4.22Å; I641-L645 VanDerWaalsContact O-CG 3.3Å; I641-L645 WeakPolarHBondContact O-CG 3.29Å; I641-L645 PolarHBondContact O-N 3.03Å; L645-S649 CarbonylContact O-C 3.56Å; L645-S649 PolarHBondContact O-N 3.23Å; L645-I650 HydrophobicContact CD2-CB 3.71Å; L645-I650 HydrophobicContact CD2-CD1 4.07Å; L645-I650 HydrophobicContact CD2-CG2 3.64Å; L645-I650 PolarHBondContact O-N 2.85Å; L645-Q652 HydrophobicContact CD1-CG 4.4Å; L645-F655 HydrophobicContact CD1-CB 4.28Å; L645-F655 HydrophobicContact CD1-CD1 4.01Å; L645-F655 HydrophobicContact CD1-CG 4.18Å; L645-F655 HydrophobicContact CD2-CB 3.69Å; L645-F655 HydrophobicContact CD2-CD1 4.3Å; L645-F655 HydrophobicContact CD2-CD2 3.86Å; L645-F655 HydrophobicContact CD2-CG 3.69Å; L645-L667 HydrophobicContact CD1-CD2 4.46Å; L645-L671 HydrophobicContact CD1-CD1 4.39Å; L645-W693 HydrophobicContact CD2-CH2 4.49Å |
| 646 | K | 96.3 | Very high | 96.3 | Very high | 170 Ų | 170 | 57.6 Ų | 57.6 | 74% | 0.739 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -68 | -43.6 | 173 | -76.6 | 178.9 | 176.1 | -169.1 | 0 | 112.7 | S642 S643 E644 Y648 S649 | S642-K646 VanDerWaalsContact O-CG 3.31Å; S642-K646 WeakPolarHBondContact O-CG 3.45Å; S642-K646 PolarHBondContact O-N 2.91Å; S643-K646 PolarHBondContact O-N 2.96Å; E644-K646 VanDerWaalsContact C-N 3.28Å; E644-K646 PolarHBondContact O-N 2.92Å; K646-Y648 VanDerWaalsContact C-N 3.28Å; K646-Y648 PolarHBondContact O-N 2.87Å; K646-S649 PolarHBondContact O-N 2.81Å |
| 647 | R | 95.8 | Very high | 96.2 | Very high | 166 Ų | 166 | 59.2 Ų | 59.2 | 63% | 0.626 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -56.6 | -40.5 | -178.4 | 175.5 | -177.8 | -71.6 | 156 | 3.6 | 112.5 | S643 E644 | S643-R647 WeakPolarHBondContact O-CB 3.39Å; S643-R647 PolarHBondContact O-N 3.16Å; E644-R647 PolarHBondContact O-N 2.74Å; E644-R647 IonicContact OE1-NH1 2.81Å; E644-R647 PolarHBondContact OE1-NH1 3.2Å; E644-R647 IonicContact OE2-CZ 2.69Å; E644-R647 VanDerWaalsContact OE2-CZ 3.29Å; E644-R647 IonicContact OE2-NE 2.72Å; E644-R647 IonicContact OE2-NH1 2.72Å; E644-R647 PolarHBondContact OE2-NH1 3.02Å |
| 648 | Y | 95 | Very high | 96 | Very high | 67 Ų | 67 | 61.2 Ų | 61.2 | 26% | 0.263 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 10.8 | -178.1 | -62.2 | -71.5 | 0 | 0 | 0 | 113.7 | E644 K646 I650 E698 R701 M702 | E644-Y648 HydrophobicContact CG-CD2 4.11Å; E644-Y648 HydrophobicContact CG-CE2 3.92Å; E644-Y648 WeakPolarHBondContact O-CD2 3.39Å; E644-Y648 PolarHBondContact O-N 3.41Å; K646-Y648 VanDerWaalsContact C-N 3.28Å; K646-Y648 PolarHBondContact O-N 2.87Å; Y648-I650 HydrophobicContact CD2-CD1 4.34Å; Y648-I650 HydrophobicContact CG-CD1 4.38Å; Y648-I650 PolarHBondContact O-N 3.23Å; Y648-I650 VanDerWaalsContact O-N 3.11Å; Y648-E698 WeakPolarHBondContact CE1-OE1 3.45Å; Y648-E698 VanDerWaalsContact OH-CD 3.22Å; Y648-E698 PolarHBondContact OH-OE1 3.05Å; Y648-R701 PolarHBondContact OH-NH2 3.26Å; Y648-M702 HydrophobicContact CD1-CE 4.36Å |
| 649 | S | 94.7 | Very high | 95.8 | Very high | 103 Ų | 103 | 62.4 Ų | 62.4 | 72% | 0.72 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 30.2 | -176.3 | -59.4 | 0 | 0 | 0 | 0 | 114.7 | L645 K646 P651 | L645-S649 CarbonylContact O-C 3.56Å; L645-S649 PolarHBondContact O-N 3.23Å; K646-S649 PolarHBondContact O-N 2.81Å; S649-P651 VanDerWaalsContact O-CD 3.31Å; S649-P651 WeakPolarHBondContact O-CD 3.45Å |
| 650 | I | 95.1 | Very high | 95.7 | Very high | 20 Ų | 20 | 57.2 Ų | 57.2 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | trans | -75 | 118.3 | -177.7 | -59.5 | 157.5 | 0 | 0 | 0 | 109 | L645 Y648 Q652 F655 W693 L705 | L645-I650 HydrophobicContact CD2-CB 3.71Å; L645-I650 HydrophobicContact CD2-CD1 4.07Å; L645-I650 HydrophobicContact CD2-CG2 3.64Å; L645-I650 PolarHBondContact O-N 2.85Å; Y648-I650 HydrophobicContact CD2-CD1 4.34Å; Y648-I650 HydrophobicContact CG-CD1 4.38Å; Y648-I650 PolarHBondContact O-N 3.23Å; Y648-I650 VanDerWaalsContact O-N 3.11Å; I650-Q652 PolarHBondContact O-N 3.25Å; I650-F655 HydrophobicContact CG2-CB 4.37Å; I650-W693 HydrophobicContact CD1-CH2 4.04Å; I650-W693 HydrophobicContact CD1-CZ2 4.15Å; I650-L705 HydrophobicContact CD1-CD1 3.63Å; I650-L705 HydrophobicContact CG1-CD1 3.92Å; I650-L705 HydrophobicContact CG2-CD1 4.08Å; I650-L705 HydrophobicContact CG2-CD2 4.13Å | ||
| 651 | P | 95.3 | Very high | 95.5 | Very high | 79 Ų | 79 | 52.8 Ų | 52.8 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | trans | -64.9 | 135.1 | 178.8 | -20.2 | 32.9 | 0 | 0 | 0 | 111.2 | S649 A653 V654 F655 | S649-P651 VanDerWaalsContact O-CD 3.31Å; S649-P651 WeakPolarHBondContact O-CD 3.45Å; P651-A653 PolarHBondContact O-N 3.38Å; P651-V654 HydrophobicContact CB-CG2 4.18Å; P651-V654 HydrophobicContact CG-CG2 4.22Å; P651-V654 PolarHBondContact O-N 2.94Å; P651-F655 PolarHBondContact O-N 3.37Å | ||
| 652 | Q | 96 | Very high | 95.4 | Very high | 58 Ų | 58 | 57.4 Ų | 57.4 | 27% | 0.271 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -53.3 | -32.1 | 178.3 | -79.7 | -171.8 | -10.8 | 0 | 0 | 113.3 | L645 I650 A656 Q664 L667 | L645-Q652 HydrophobicContact CD1-CG 4.4Å; I650-Q652 PolarHBondContact O-N 3.25Å; Q652-A656 WeakPolarHBondContact O-CB 3.37Å; Q652-A656 PolarHBondContact O-N 2.72Å; Q652-Q664 HydrophobicContact CB-CG 3.94Å; Q652-L667 HydrophobicContact CB-CD2 3.9Å; Q652-L667 HydrophobicContact CG-CD2 4.08Å; Q652-L667 VanDerWaalsContact O-CD2 3.28Å; Q652-L667 WeakPolarHBondContact O-CD2 3.26Å |
| 653 | A | 95.7 | Very high | 95.3 | Very high | 38 Ų | 38 | 59 Ų | 59 | 31% | 0.314 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P651 Q657 Q664 | P651-A653 PolarHBondContact O-N 3.38Å; A653-Q657 WeakPolarHBondContact O-CB 3.35Å; A653-Q657 VanDerWaalsContact O-CG 3.23Å; A653-Q657 WeakPolarHBondContact O-CG 3.44Å; A653-Q657 PolarHBondContact O-N 3.36Å; A653-Q664 HydrophobicContact CB-CB 4.09Å; A653-Q664 HydrophobicContact CB-CG 4.23Å |
| 654 | V | 94.6 | Very high | 95.2 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -51.6 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | P651 A656 Q657 R658 L705 | P651-V654 HydrophobicContact CB-CG2 4.18Å; P651-V654 HydrophobicContact CG-CG2 4.22Å; P651-V654 PolarHBondContact O-N 2.94Å; V654-A656 PolarHBondContact O-N 2.96Å; V654-Q657 PolarHBondContact O-N 3.19Å; V654-R658 HydrophobicContact CG1-CG 3.89Å; V654-R658 WeakPolarHBondContact O-CB 3.47Å; V654-R658 VanDerWaalsContact O-CG 3.27Å; V654-R658 WeakPolarHBondContact O-CG 3.45Å; V654-R658 PolarHBondContact O-N 3.46Å; V654-L705 HydrophobicContact CG1-CD2 4.2Å |
| 655 | F | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 179.4 | -174.7 | -104.9 | 0 | 0 | 0 | 112.8 | I641 L645 I650 P651 I659 L660 L667 M690 W693 L705 | I641-F655 HydrophobicContact CD1-CZ 4.21Å; I641-F655 HydrophobicContact CG2-CE1 3.88Å; I641-F655 HydrophobicContact CG2-CZ 4.25Å; L645-F655 HydrophobicContact CD1-CB 4.28Å; L645-F655 HydrophobicContact CD1-CD1 4.01Å; L645-F655 HydrophobicContact CD1-CG 4.18Å; L645-F655 HydrophobicContact CD2-CB 3.69Å; L645-F655 HydrophobicContact CD2-CD1 4.3Å; L645-F655 HydrophobicContact CD2-CD2 3.86Å; L645-F655 HydrophobicContact CD2-CG 3.69Å; I650-F655 HydrophobicContact CG2-CB 4.37Å; P651-F655 PolarHBondContact O-N 3.37Å; F655-I659 HydrophobicContact CD2-CB 3.91Å; F655-I659 HydrophobicContact CD2-CG1 3.54Å; F655-I659 HydrophobicContact CD2-CG2 4.43Å; F655-I659 HydrophobicContact CE2-CB 3.72Å; F655-I659 HydrophobicContact CE2-CG1 3.65Å; F655-I659 HydrophobicContact CE2-CG2 3.74Å; F655-I659 HydrophobicContact CG-CG1 4.43Å; F655-I659 HydrophobicContact CZ-CB 4.24Å; F655-I659 HydrophobicContact CZ-CG2 4.04Å; F655-I659 WeakPolarHBondContact O-CB 3.21Å; F655-I659 PolarHBondContact O-N 3.29Å; F655-L660 HydrophobicContact CD1-CD1 4.13Å; F655-L660 HydrophobicContact CD1-CG 4.49Å; F655-L660 HydrophobicContact CE1-CD1 3.81Å; F655-L660 HydrophobicContact CE1-CD2 4.44Å; F655-L660 HydrophobicContact CE1-CG 4.13Å; F655-L667 HydrophobicContact CB-CD2 4.36Å; F655-L667 HydrophobicContact CD1-CD1 4.15Å; F655-L667 HydrophobicContact CD1-CD2 3.75Å; F655-L667 HydrophobicContact CE1-CD1 4.31Å; F655-M690 HydrophobicContact CE1-CG 4.18Å; F655-M690 HydrophobicContact CZ-CG 4.33Å; F655-W693 HydrophobicContact CD2-CD2 4.43Å; F655-W693 AromaticContact CE2-CD2 3.55Å; F655-W693 HydrophobicContact CE2-CD2 3.55Å; F655-W693 AromaticContact CE2-CE2 3.94Å; F655-W693 AromaticContact CE2-CE3 3.57Å; F655-W693 HydrophobicContact CE2-CE3 3.57Å; F655-W693 AromaticContact CE2-CG 3.99Å; F655-W693 HydrophobicContact CE2-CG 3.99Å; F655-W693 HydrophobicContact CE2-CH2 4.35Å; F655-W693 HydrophobicContact CE2-CZ2 4.33Å; F655-W693 AromaticContact CE2-CZ3 3.99Å; F655-W693 HydrophobicContact CE2-CZ3 3.99Å; F655-W693 HydrophobicContact CZ-CD2 4.34Å; F655-W693 HydrophobicContact CZ-CE3 4.07Å; F655-L705 HydrophobicContact CD2-CD2 4.41Å |
| 656 | A | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q652 V654 L660 C661 R662 L667 | Q652-A656 WeakPolarHBondContact O-CB 3.37Å; Q652-A656 PolarHBondContact O-N 2.72Å; V654-A656 PolarHBondContact O-N 2.96Å; A656-L660 CarbonylContact O-C 3.6Å; A656-C661 PolarHBondContact O-N 2.91Å; A656-R662 CarbonylContact C-O 3.55Å; A656-R662 WeakPolarHBondContact CB-O 3.4Å; A656-R662 PolarHBondContact O-N 3.15Å; A656-L667 HydrophobicContact CB-CB 3.84Å; A656-L667 HydrophobicContact CB-CD2 3.89Å; A656-L667 HydrophobicContact CB-CG 4.5Å |
| 657 | Q | 94.7 | Very high | 95.1 | Very high | 102 Ų | 102 | 54.5 Ų | 54.5 | 48% | 0.477 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.1 | -52.5 | -180 | -71.5 | 170.6 | -2.1 | 0 | 0 | 111.5 | A653 V654 C661 | A653-Q657 WeakPolarHBondContact O-CB 3.35Å; A653-Q657 VanDerWaalsContact O-CG 3.23Å; A653-Q657 WeakPolarHBondContact O-CG 3.44Å; A653-Q657 PolarHBondContact O-N 3.36Å; V654-Q657 PolarHBondContact O-N 3.19Å; Q657-C661 WeakPolarHBondContact O-CA 3.4Å; Q657-C661 PolarHBondContact O-N 2.91Å |
| 658 | R | 91.6 | Very high | 95.1 | Very high | 49 Ų | 49 | 47.4 Ų | 47.4 | 19% | 0.185 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -78.4 | -42.8 | -168.5 | -54.9 | -42.6 | -175.2 | 57.7 | -6 | 113.9 | V654 L705 A708 | V654-R658 HydrophobicContact CG1-CG 3.89Å; V654-R658 WeakPolarHBondContact O-CB 3.47Å; V654-R658 VanDerWaalsContact O-CG 3.27Å; V654-R658 WeakPolarHBondContact O-CG 3.45Å; V654-R658 PolarHBondContact O-N 3.46Å; R658-L705 PolarHBondContact NH1-O 3.12Å; R658-A708 HydrophobicContact CG-CB 4.46Å; R658-A708 VanDerWaalsContact CZ-C 3.41Å; R658-A708 VanDerWaalsContact NH1-C 3.28Å; R658-A708 PolarHBondContact NH2-O 3.27Å; R658-A708 VanDerWaalsContact NH2-O 3.1Å |
| 659 | I | 94.4 | Very high | 95.1 | Very high | 25 Ų | 25 | 48.4 Ų | 48.4 | 13% | 0.128 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -28 | -172.3 | -51.3 | -55.6 | 0 | 0 | 0 | 112.1 | F655 W693 A704 L705 | F655-I659 HydrophobicContact CD2-CB 3.91Å; F655-I659 HydrophobicContact CD2-CG1 3.54Å; F655-I659 HydrophobicContact CD2-CG2 4.43Å; F655-I659 HydrophobicContact CE2-CB 3.72Å; F655-I659 HydrophobicContact CE2-CG1 3.65Å; F655-I659 HydrophobicContact CE2-CG2 3.74Å; F655-I659 HydrophobicContact CG-CG1 4.43Å; F655-I659 HydrophobicContact CZ-CB 4.24Å; F655-I659 HydrophobicContact CZ-CG2 4.04Å; F655-I659 WeakPolarHBondContact O-CB 3.21Å; F655-I659 PolarHBondContact O-N 3.29Å; I659-W693 HydrophobicContact CG2-CB 3.85Å; I659-W693 HydrophobicContact CG2-CG 4Å; I659-A704 HydrophobicContact CD1-CB 3.71Å; I659-L705 HydrophobicContact CD1-CD2 4.27Å; I659-L705 HydrophobicContact CG1-CD2 4.06Å |
| 660 | L | 94.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -16.2 | -172.3 | -53.1 | 179.7 | 0 | 0 | 0 | 114.6 | F655 A656 R662 L667 T686 R689 M690 | F655-L660 HydrophobicContact CD1-CD1 4.13Å; F655-L660 HydrophobicContact CD1-CG 4.49Å; F655-L660 HydrophobicContact CE1-CD1 3.81Å; F655-L660 HydrophobicContact CE1-CD2 4.44Å; F655-L660 HydrophobicContact CE1-CG 4.13Å; A656-L660 CarbonylContact O-C 3.6Å; L660-R662 HydrophobicContact CB-CB 4.34Å; L660-R662 HydrophobicContact CB-CG 4.06Å; L660-L667 HydrophobicContact CD1-CD1 3.77Å; L660-T686 HydrophobicContact CB-CG2 4.45Å; L660-T686 HydrophobicContact CD1-CG2 4.16Å; L660-T686 HydrophobicContact CD2-CG2 4.29Å; L660-R689 HydrophobicContact CD2-CB 3.66Å; L660-M690 HydrophobicContact CD1-CE 3.63Å; L660-M690 HydrophobicContact CD1-CG 4.27Å; L660-M690 HydrophobicContact CD2-CG 3.92Å |
| 661 | C | 93.5 | Very high | 95.1 | Very high | 53 Ų | 53 | 45 Ų | 45 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 54.8 | 48.4 | -170.1 | -46.3 | 0 | 0 | 0 | 0 | 112.1 | A656 Q657 | A656-C661 PolarHBondContact O-N 2.91Å; Q657-C661 WeakPolarHBondContact O-CA 3.4Å; Q657-C661 PolarHBondContact O-N 2.91Å |
| 662 | R | 94.5 | Very high | 95 | Very high | 97 Ų | 97 | 49.8 Ų | 49.8 | 37% | 0.366 | 26% | 0.26 | S | S | . | . | trans | -133.4 | 164.9 | -177.7 | -61.9 | -61.5 | 172.8 | -112.9 | 7.4 | 112 | A656 L660 T666 | A656-R662 CarbonylContact C-O 3.55Å; A656-R662 WeakPolarHBondContact CB-O 3.4Å; A656-R662 PolarHBondContact O-N 3.15Å; L660-R662 HydrophobicContact CB-CB 4.34Å; L660-R662 HydrophobicContact CB-CG 4.06Å; R662-T666 HydrophobicContact CB-CG2 4.3Å; R662-T666 HydrophobicContact CG-CG2 4.43Å | ||
| 663 | S | 95.8 | Very high | 94.8 | Very high | 66 Ų | 66 | 52 Ų | 52 | 46% | 0.462 | 27% | 0.274 | S | S | . | . | trans | -73.7 | 154.1 | 172 | 83.2 | 0 | 0 | 0 | 0 | 111.6 | G665 T666 L667 | S663-G665 VanDerWaalsContact C-N 3.27Å; S663-G665 PolarHBondContact O-N 3.46Å; S663-T666 WeakPolarHBondContact O-CB 3.39Å; S663-T666 PolarHBondContact O-N 2.86Å; S663-T666 VanDerWaalsContact O-N 3.16Å; S663-T666 PolarHBondContact OG-N 2.93Å; S663-T666 VanDerWaalsContact OG-N 3.13Å; S663-T666 PolarHBondContact OG-OG1 3.18Å; S663-L667 PolarHBondContact O-N 3.12Å; S663-L667 VanDerWaalsContact O-N 3.17Å | ||
| 664 | Q | 95 | Very high | 94.6 | Very high | 86 Ų | 86 | 51.3 Ų | 51.3 | 40% | 0.402 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.1 | -41.3 | 174.1 | -178.4 | -80.3 | -28.8 | 0 | 0 | 112 | Q652 A653 T666 L667 S668 | Q652-Q664 HydrophobicContact CB-CG 3.94Å; A653-Q664 HydrophobicContact CB-CB 4.09Å; A653-Q664 HydrophobicContact CB-CG 4.23Å; Q664-T666 VanDerWaalsContact C-N 3.33Å; Q664-T666 PolarHBondContact O-N 3.05Å; Q664-L667 WeakPolarHBondContact O-CB 3.41Å; Q664-L667 PolarHBondContact O-N 2.98Å; Q664-L667 VanDerWaalsContact O-N 3.16Å; Q664-S668 PolarHBondContact O-N 2.99Å |
| 665 | G | 95.1 | Very high | 94.5 | Very high | 32 Ų | 32 | 52.9 Ų | 52.9 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S663 L667 S668 D669 | S663-G665 VanDerWaalsContact C-N 3.27Å; S663-G665 PolarHBondContact O-N 3.46Å; G665-L667 VanDerWaalsContact C-N 3.33Å; G665-L667 PolarHBondContact O-N 2.98Å; G665-S668 PolarHBondContact O-N 3.06Å; G665-D669 PolarHBondContact O-N 3.02Å |
| 666 | T | 94.9 | Very high | 94.4 | Very high | 57 Ų | 57 | 54.4 Ų | 54.4 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 173.9 | -48.7 | 0 | 0 | 0 | 0 | 111.5 | R662 S663 Q664 L670 | R662-T666 HydrophobicContact CB-CG2 4.3Å; R662-T666 HydrophobicContact CG-CG2 4.43Å; S663-T666 WeakPolarHBondContact O-CB 3.39Å; S663-T666 PolarHBondContact O-N 2.86Å; S663-T666 VanDerWaalsContact O-N 3.16Å; S663-T666 PolarHBondContact OG-N 2.93Å; S663-T666 VanDerWaalsContact OG-N 3.13Å; S663-T666 PolarHBondContact OG-OG1 3.18Å; Q664-T666 VanDerWaalsContact C-N 3.33Å; Q664-T666 PolarHBondContact O-N 3.05Å; T666-L670 HydrophobicContact CG2-CD1 4.14Å; T666-L670 WeakPolarHBondContact O-CB 3.38Å; T666-L670 VanDerWaalsContact O-CG 3.24Å; T666-L670 WeakPolarHBondContact O-CG 3.45Å; T666-L670 PolarHBondContact O-N 3.5Å; T666-L670 VanDerWaalsContact O-N 3.09Å |
| 667 | L | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 176.1 | 177.1 | 65 | 0 | 0 | 0 | 111.9 | L645 Q652 F655 A656 L660 S663 Q664 G665 D669 L670 L671 M690 | L645-L667 HydrophobicContact CD1-CD2 4.46Å; Q652-L667 HydrophobicContact CB-CD2 3.9Å; Q652-L667 HydrophobicContact CG-CD2 4.08Å; Q652-L667 VanDerWaalsContact O-CD2 3.28Å; Q652-L667 WeakPolarHBondContact O-CD2 3.26Å; F655-L667 HydrophobicContact CB-CD2 4.36Å; F655-L667 HydrophobicContact CD1-CD1 4.15Å; F655-L667 HydrophobicContact CD1-CD2 3.75Å; F655-L667 HydrophobicContact CE1-CD1 4.31Å; A656-L667 HydrophobicContact CB-CB 3.84Å; A656-L667 HydrophobicContact CB-CD2 3.89Å; A656-L667 HydrophobicContact CB-CG 4.5Å; L660-L667 HydrophobicContact CD1-CD1 3.77Å; S663-L667 PolarHBondContact O-N 3.12Å; S663-L667 VanDerWaalsContact O-N 3.17Å; Q664-L667 WeakPolarHBondContact O-CB 3.41Å; Q664-L667 PolarHBondContact O-N 2.98Å; Q664-L667 VanDerWaalsContact O-N 3.16Å; G665-L667 VanDerWaalsContact C-N 3.33Å; G665-L667 PolarHBondContact O-N 2.98Å; L667-D669 PolarHBondContact O-N 2.75Å; L667-L670 PolarHBondContact O-N 3.22Å; L667-L671 HydrophobicContact CD1-CD1 3.69Å; L667-L671 HydrophobicContact CD1-CD2 4.23Å; L667-L671 HydrophobicContact CD1-CG 3.73Å; L667-L671 HydrophobicContact CD2-CD1 4.36Å; L667-L671 HydrophobicContact CG-CD1 3.79Å; L667-L671 HydrophobicContact CG-CG 4.18Å; L667-L671 WeakPolarHBondContact O-CB 3.31Å; L667-L671 WeakPolarHBondContact O-CG 3.44Å; L667-L671 PolarHBondContact O-N 3.05Å; L667-M690 HydrophobicContact CD1-CE 3.54Å |
| 668 | S | 96.7 | Very high | 94 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 12% | 0.119 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | Q664 G665 L671 R672 | Q664-S668 PolarHBondContact O-N 2.99Å; G665-S668 PolarHBondContact O-N 3.06Å; S668-L671 PolarHBondContact O-N 3.32Å; S668-R672 WeakPolarHBondContact O-CB 3.42Å; S668-R672 WeakPolarHBondContact O-CD 3.23Å; S668-R672 WeakPolarHBondContact O-CG 3.44Å; S668-R672 PolarHBondContact O-N 3.22Å; S668-R672 PolarHBondContact OG-NE 3.21Å |
| 669 | D | 93.3 | Very high | 94 | Very high | 88 Ų | 88 | 56.2 Ų | 56.2 | 47% | 0.471 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 177 | -82.5 | -0.1 | 0 | 0 | 0 | 111.7 | G665 L667 N673 | G665-D669 PolarHBondContact O-N 3.02Å; L667-D669 PolarHBondContact O-N 2.75Å; D669-N673 PolarHBondContact O-N 2.76Å |
| 670 | L | 95.2 | Very high | 93.8 | Very high | 42 Ų | 42 | 55.9 Ų | 55.9 | 22% | 0.22 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 178.1 | -75 | 170.2 | 0 | 0 | 0 | 113.6 | T666 L667 P674 T686 F687 M690 | T666-L670 HydrophobicContact CG2-CD1 4.14Å; T666-L670 WeakPolarHBondContact O-CB 3.38Å; T666-L670 VanDerWaalsContact O-CG 3.24Å; T666-L670 WeakPolarHBondContact O-CG 3.45Å; T666-L670 PolarHBondContact O-N 3.5Å; T666-L670 VanDerWaalsContact O-N 3.09Å; L667-L670 PolarHBondContact O-N 3.22Å; L670-P674 WeakPolarHBondContact O-CA 3.36Å; L670-P674 WeakPolarHBondContact O-CB 3.36Å; L670-T686 HydrophobicContact CD1-CG2 3.79Å; L670-F687 HydrophobicContact CD2-CE2 3.89Å; L670-F687 HydrophobicContact CD2-CZ 4.05Å; L670-M690 HydrophobicContact CB-CE 4.49Å; L670-M690 HydrophobicContact CD1-CE 4.42Å |
| 671 | L | 96.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 65.2 Ų | 65.2 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -78.4 | -31.8 | -179.5 | -67.5 | 178.9 | 0 | 0 | 0 | 112.8 | A638 I641 L645 L667 S668 M690 | A638-L671 HydrophobicContact CB-CD2 4.02Å; I641-L671 HydrophobicContact CB-CD2 4.07Å; I641-L671 HydrophobicContact CG2-CD1 4.36Å; I641-L671 HydrophobicContact CG2-CD2 3.85Å; L645-L671 HydrophobicContact CD1-CD1 4.39Å; L667-L671 HydrophobicContact CD1-CD1 3.69Å; L667-L671 HydrophobicContact CD1-CD2 4.23Å; L667-L671 HydrophobicContact CD1-CG 3.73Å; L667-L671 HydrophobicContact CD2-CD1 4.36Å; L667-L671 HydrophobicContact CG-CD1 3.79Å; L667-L671 HydrophobicContact CG-CG 4.18Å; L667-L671 WeakPolarHBondContact O-CB 3.31Å; L667-L671 WeakPolarHBondContact O-CG 3.44Å; L667-L671 PolarHBondContact O-N 3.05Å; S668-L671 PolarHBondContact O-N 3.32Å; L671-M690 HydrophobicContact CD2-CE 4.27Å; L671-M690 HydrophobicContact CD2-SD 4.38Å |
| 672 | R | 92.9 | Very high | 93 | Very high | 179 Ų | 179 | 68.2 Ų | 68.2 | 68% | 0.675 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -79.7 | -42.7 | 179.7 | -69.8 | 170.9 | -174.4 | -87.8 | 3.8 | 112.8 | S668 P674 | S668-R672 WeakPolarHBondContact O-CB 3.42Å; S668-R672 WeakPolarHBondContact O-CD 3.23Å; S668-R672 WeakPolarHBondContact O-CG 3.44Å; S668-R672 PolarHBondContact O-N 3.22Å; S668-R672 PolarHBondContact OG-NE 3.21Å; R672-P674 WeakPolarHBondContact O-CD 3.04Å |
| 673 | N | 90.6 | Very high | 92.8 | Very high | 106 Ų | 106 | 64.9 Ų | 64.9 | 57% | 0.567 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -127.8 | 62.1 | -176.5 | -63.1 | -73.1 | 0 | 0 | 0 | 111.4 | D669 K675 | D669-N673 PolarHBondContact O-N 2.76Å; N673-K675 PolarHBondContact O-N 3.13Å |
| 674 | P | 93.5 | Very high | 92.7 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 14% | 0.143 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 116.7 | 179.5 | 26.5 | -34.1 | 0 | 0 | 0 | 110.6 | K635 A638 L670 R672 F687 | K635-P674 HydrophobicContact CB-CG 4.33Å; K635-P674 HydrophobicContact CG-CG 4.47Å; A638-P674 HydrophobicContact CB-CB 4.04Å; A638-P674 HydrophobicContact CB-CG 3.9Å; L670-P674 WeakPolarHBondContact O-CA 3.36Å; L670-P674 WeakPolarHBondContact O-CB 3.36Å; R672-P674 WeakPolarHBondContact O-CD 3.04Å; P674-F687 HydrophobicContact CB-CE1 4.2Å; P674-F687 HydrophobicContact CB-CZ 4.05Å |
| 675 | K | 92.2 | Very high | 92.7 | Very high | 79 Ų | 79 | 64 Ų | 64 | 34% | 0.343 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 144.1 | 171.6 | -60.3 | -173.2 | 74.9 | -155.2 | 0 | 110.2 | T634 N673 K679 L680 W795 | T634-K675 WeakPolarHBondContact CB-O 3.48Å; T634-K675 PolarHBondContact OG1-O 3.43Å; N673-K675 PolarHBondContact O-N 3.13Å; K675-K679 PolarHBondContact NZ-O 2.7Å; K675-L680 HydrophobicContact CB-CD2 3.94Å; K675-L680 HydrophobicContact CB-CG 4.44Å; K675-L680 HydrophobicContact CD-CD2 4.23Å; K675-W795 HydrophobicContact CD-CZ2 4.49Å |
| 676 | P | 93 | Very high | 92.7 | Very high | 31 Ų | 31 | 63.1 Ų | 63.1 | 20% | 0.201 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 147.2 | 172.5 | 26.2 | -33.7 | 0 | 0 | 0 | 111.2 | S678 K679 W795 | P676-S678 PolarHBondContact O-N 2.94Å; P676-K679 HydrophobicContact CG-CB 4.24Å; P676-K679 HydrophobicContact CG-CG 3.83Å; P676-K679 CarbonylContact O-C 3.57Å; P676-K679 PolarHBondContact O-N 2.68Å; P676-W795 HydrophobicContact CG-CB 4.35Å; P676-W795 HydrophobicContact CG-CD2 3.95Å; P676-W795 HydrophobicContact CG-CE3 3.57Å; P676-W795 HydrophobicContact CG-CG 4.29Å; P676-W795 HydrophobicContact CG-CZ3 4.35Å |
| 677 | W | 93.6 | Very high | 92.8 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 4% | 0.038 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -62 | -41.3 | -167.6 | 177.7 | -99.2 | 0 | 0 | 0 | 114.3 | E630 I632 T634 K679 L680 R684 F687 R688 | E630-W677 VanDerWaalsContact O-CE2 3.32Å; E630-W677 PolarHBondContact O-NE1 3.16Å; I632-W677 HydrophobicContact CB-CD2 4.3Å; I632-W677 HydrophobicContact CB-CE3 3.9Å; I632-W677 HydrophobicContact CB-CH2 4.29Å; I632-W677 HydrophobicContact CB-CZ3 3.9Å; I632-W677 HydrophobicContact CD1-CH2 3.87Å; I632-W677 HydrophobicContact CD1-CZ3 3.99Å; I632-W677 HydrophobicContact CG1-CH2 4.19Å; I632-W677 HydrophobicContact CG1-CZ3 4.26Å; I632-W677 WeakPolarHBondContact O-CB 3.48Å; T634-W677 HydrophobicContact CG2-CB 4.13Å; T634-W677 HydrophobicContact CG2-CE3 3.93Å; W677-K679 PolarHBondContact O-N 2.8Å; W677-L680 HydrophobicContact CE3-CD1 4.05Å; W677-L680 WeakPolarHBondContact O-CB 3.44Å; W677-L680 PolarHBondContact O-N 2.84Å; W677-R684 HydrophobicContact CD2-CG 4.17Å; W677-R684 HydrophobicContact CE3-CB 4.48Å; W677-R684 HydrophobicContact CE3-CG 4.1Å; W677-R684 HydrophobicContact CH2-CB 3.66Å; W677-R684 HydrophobicContact CH2-CG 3.86Å; W677-R684 HydrophobicContact CZ2-CB 4.13Å; W677-R684 HydrophobicContact CZ2-CG 3.9Å; W677-R684 HydrophobicContact CZ3-CB 3.84Å; W677-R684 HydrophobicContact CZ3-CG 3.94Å; W677-F687 HydrophobicContact CZ3-CB 4.09Å; W677-R688 HydrophobicContact CH2-CG 3.96Å |
| 678 | S | 90.4 | Very high | 92.7 | Very high | 73 Ų | 73 | 65 Ų | 65 | 51% | 0.51 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -54.7 | -24.7 | 173.1 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | P676 | P676-S678 PolarHBondContact O-N 2.94Š|
| 679 | K | 90.4 | Very high | 92.6 | Very high | 107 Ų | 107 | 68.5 Ų | 68.5 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -104.7 | 14.8 | -178.5 | -43.3 | -77.7 | -173.9 | 175.8 | 0 | 112.2 | K675 P676 W677 W795 | K675-K679 PolarHBondContact NZ-O 2.7Å; P676-K679 HydrophobicContact CG-CB 4.24Å; P676-K679 HydrophobicContact CG-CG 3.83Å; P676-K679 CarbonylContact O-C 3.57Å; P676-K679 PolarHBondContact O-N 2.68Å; W677-K679 PolarHBondContact O-N 2.8Å; K679-W795 HydrophobicContact CB-CE3 4.38Å; K679-W795 HydrophobicContact CB-CH2 3.89Å; K679-W795 HydrophobicContact CB-CZ3 3.68Å; K679-W795 HydrophobicContact CD-CZ3 3.81Å; K679-W795 HydrophobicContact CG-CE3 3.96Å; K679-W795 HydrophobicContact CG-CH2 4.11Å; K679-W795 HydrophobicContact CG-CZ3 3.39Å |
| 680 | L | 90.9 | Very high | 92.8 | Very high | 18 Ų | 18 | 64.3 Ų | 64.3 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | trans | -101.8 | 128.2 | 167.8 | -67.4 | 177.7 | 0 | 0 | 0 | 110.8 | T634 K675 W677 R684 F687 | T634-L680 HydrophobicContact CG2-CD1 3.8Å; K675-L680 HydrophobicContact CB-CD2 3.94Å; K675-L680 HydrophobicContact CB-CG 4.44Å; K675-L680 HydrophobicContact CD-CD2 4.23Å; W677-L680 HydrophobicContact CE3-CD1 4.05Å; W677-L680 WeakPolarHBondContact O-CB 3.44Å; W677-L680 PolarHBondContact O-N 2.84Å; L680-R684 HydrophobicContact CB-CG 3.66Å; L680-R684 HydrophobicContact CD1-CG 4.49Å; L680-R684 PolarHBondContact O-NE 2.99Å; L680-F687 HydrophobicContact CD1-CD2 3.5Å; L680-F687 VanDerWaalsContact CD1-CD2 3.5Å; L680-F687 HydrophobicContact CD1-CE2 3.7Å; L680-F687 HydrophobicContact CD1-CG 4.43Å; L680-F687 HydrophobicContact CD2-CE2 4.42Å | ||
| 681 | K | 86 | Confident | 92.8 | Very high | 197 Ų | 197 | 66.3 Ų | 66.3 | 86% | 0.857 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -96.3 | -108.3 | 167.4 | -164 | 166 | -176.7 | 172.6 | 0 | 109.3 | G683 R684 | K681-G683 PolarHBondContact O-N 2.98Å; K681-R684 PolarHBondContact O-N 3.07Å |
| 682 | S | 85.9 | Confident | 92.8 | Very high | 116 Ų | 116 | 71.9 Ų | 71.9 | 81% | 0.811 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -22.6 | 176.1 | 51.4 | 0 | 0 | 0 | 0 | 114.9 | R684 | S682-R684 VanDerWaalsContact C-N 3.29Å; S682-R684 PolarHBondContact O-N 2.89Å |
| 683 | G | 89.9 | Confident | 92.9 | Very high | 27 Ų | 27 | 63.6 Ų | 63.6 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -17.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | K681 E685 T686 | K681-G683 PolarHBondContact O-N 2.98Å; G683-E685 PolarHBondContact O-N 3.29Å; G683-T686 PolarHBondContact O-N 3.48Å |
| 684 | R | 94.6 | Very high | 93.1 | Very high | 58 Ų | 58 | 59.7 Ų | 59.7 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -53.7 | -41 | -179.7 | -73.3 | -176.6 | -177.1 | -161.5 | -4.2 | 112.2 | E630 W677 L680 K681 S682 T686 F687 R688 | E630-R684 IonicContact OE1-NH1 3.69Å; E630-R684 PolarHBondContact OE1-NH1 3.41Å; E630-R684 VanDerWaalsContact OE1-NH1 3.12Å; W677-R684 HydrophobicContact CD2-CG 4.17Å; W677-R684 HydrophobicContact CE3-CB 4.48Å; W677-R684 HydrophobicContact CE3-CG 4.1Å; W677-R684 HydrophobicContact CH2-CB 3.66Å; W677-R684 HydrophobicContact CH2-CG 3.86Å; W677-R684 HydrophobicContact CZ2-CB 4.13Å; W677-R684 HydrophobicContact CZ2-CG 3.9Å; W677-R684 HydrophobicContact CZ3-CB 3.84Å; W677-R684 HydrophobicContact CZ3-CG 3.94Å; L680-R684 HydrophobicContact CB-CG 3.66Å; L680-R684 HydrophobicContact CD1-CG 4.49Å; L680-R684 PolarHBondContact O-NE 2.99Å; K681-R684 PolarHBondContact O-N 3.07Å; S682-R684 VanDerWaalsContact C-N 3.29Å; S682-R684 PolarHBondContact O-N 2.89Å; R684-T686 VanDerWaalsContact C-N 3.29Å; R684-T686 PolarHBondContact O-N 3.39Å; R684-F687 PolarHBondContact O-N 3.5Å; R684-R688 PolarHBondContact O-N 2.93Å |
| 685 | E | 93.6 | Very high | 93.1 | Very high | 74 Ų | 74 | 63.8 Ų | 63.8 | 35% | 0.346 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.2 | -34 | -177 | 176 | 55.7 | -167 | 0 | 0 | 113.8 | G683 F687 R688 R689 | G683-E685 PolarHBondContact O-N 3.29Å; E685-F687 VanDerWaalsContact C-N 3.32Å; E685-F687 PolarHBondContact O-N 3.03Å; E685-R688 PolarHBondContact O-N 2.84Å; E685-R689 PolarHBondContact O-N 3.34Å; E685-R689 VanDerWaalsContact O-N 3.09Å; E685-R689 IonicContact OE1-CZ 2.67Å; E685-R689 IonicContact OE1-NE 3.82Å; E685-R689 PolarHBondContact OE1-NE 3.08Å; E685-R689 IonicContact OE1-NH2 3.32Å; E685-R689 PolarHBondContact OE1-NH2 2.84Å |
| 686 | T | 95.3 | Very high | 93.1 | Very high | 14 Ų | 14 | 61.5 Ų | 61.5 | 9% | 0.086 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.3 | -33.6 | 177.7 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | L660 L670 G683 R684 M690 | L660-T686 HydrophobicContact CB-CG2 4.45Å; L660-T686 HydrophobicContact CD1-CG2 4.16Å; L660-T686 HydrophobicContact CD2-CG2 4.29Å; L670-T686 HydrophobicContact CD1-CG2 3.79Å; G683-T686 PolarHBondContact O-N 3.48Å; R684-T686 VanDerWaalsContact C-N 3.29Å; R684-T686 PolarHBondContact O-N 3.39Å; T686-M690 HydrophobicContact CG2-CE 4.41Å; T686-M690 WeakPolarHBondContact O-CG 3.37Å; T686-M690 PolarHBondContact O-N 3.25Å |
| 687 | F | 96.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -76 | -32.1 | 172.1 | -73.5 | -83.4 | 0 | 0 | 0 | 112.5 | T634 L637 L670 P674 W677 L680 R684 E685 R689 M690 W691 | T634-F687 HydrophobicContact CG2-CD1 3.96Å; T634-F687 HydrophobicContact CG2-CD2 4.14Å; T634-F687 HydrophobicContact CG2-CE1 4.11Å; T634-F687 HydrophobicContact CG2-CE2 4.28Å; T634-F687 HydrophobicContact CG2-CG 3.98Å; T634-F687 HydrophobicContact CG2-CZ 4.26Å; L637-F687 HydrophobicContact CD2-CB 4.23Å; L637-F687 HydrophobicContact CD2-CD1 4.12Å; L637-F687 WeakPolarHBondContact CD2-O 3.19Å; L670-F687 HydrophobicContact CD2-CE2 3.89Å; L670-F687 HydrophobicContact CD2-CZ 4.05Å; P674-F687 HydrophobicContact CB-CE1 4.2Å; P674-F687 HydrophobicContact CB-CZ 4.05Å; W677-F687 HydrophobicContact CZ3-CB 4.09Å; L680-F687 HydrophobicContact CD1-CD2 3.5Å; L680-F687 VanDerWaalsContact CD1-CD2 3.5Å; L680-F687 HydrophobicContact CD1-CE2 3.7Å; L680-F687 HydrophobicContact CD1-CG 4.43Å; L680-F687 HydrophobicContact CD2-CE2 4.42Å; R684-F687 PolarHBondContact O-N 3.5Å; E685-F687 VanDerWaalsContact C-N 3.32Å; E685-F687 PolarHBondContact O-N 3.03Å; F687-R689 PolarHBondContact O-N 3.5Å; F687-M690 HydrophobicContact CD1-SD 3.91Å; F687-M690 HydrophobicContact CE1-SD 4.23Å; F687-M690 WeakPolarHBondContact O-CB 3.06Å; F687-M690 PolarHBondContact O-N 2.82Å; F687-W691 WeakPolarHBondContact O-CB 3.39Å; F687-W691 PolarHBondContact O-N 2.9Å |
| 688 | R | 95.6 | Very high | 93.1 | Very high | 95 Ų | 95 | 67.5 Ų | 67.5 | 36% | 0.358 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 172.1 | -68.2 | -170 | -175.7 | 120.9 | -6.2 | 112.2 | I632 W677 R684 E685 W691 K692 | I632-R688 HydrophobicContact CD1-CG 4.16Å; W677-R688 HydrophobicContact CH2-CG 3.96Å; R684-R688 PolarHBondContact O-N 2.93Å; E685-R688 PolarHBondContact O-N 2.84Å; R688-W691 PolarHBondContact O-N 3.15Å; R688-K692 WeakPolarHBondContact O-CB 3.41Å; R688-K692 PolarHBondContact O-N 2.84Å |
| 689 | R | 95.4 | Very high | 93.1 | Very high | 92 Ų | 92 | 71.5 Ų | 71.5 | 35% | 0.347 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.3 | -67.6 | 175.4 | -163.9 | -160.7 | -4.4 | 112.7 | L660 E685 F687 W693 | L660-R689 HydrophobicContact CD2-CB 3.66Å; E685-R689 PolarHBondContact O-N 3.34Å; E685-R689 VanDerWaalsContact O-N 3.09Å; E685-R689 IonicContact OE1-CZ 2.67Å; E685-R689 IonicContact OE1-NE 3.82Å; E685-R689 PolarHBondContact OE1-NE 3.08Å; E685-R689 IonicContact OE1-NH2 3.32Å; E685-R689 PolarHBondContact OE1-NH2 2.84Å; F687-R689 PolarHBondContact O-N 3.5Å; R689-W693 WeakPolarHBondContact O-CB 3.45Å; R689-W693 PolarHBondContact O-N 2.83Å |
| 690 | M | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.5 | -49 | 170.7 | -70.8 | 176.9 | -174.9 | 0 | 0 | 111.7 | L637 I641 F655 L660 L667 L670 L671 T686 F687 L694 | L637-M690 HydrophobicContact CD1-CB 4.46Å; L637-M690 HydrophobicContact CD2-CB 4.13Å; L637-M690 HydrophobicContact CG-CB 4.38Å; I641-M690 HydrophobicContact CD1-CB 3.94Å; I641-M690 HydrophobicContact CD1-CG 4.47Å; I641-M690 WeakPolarHBondContact CD1-O 3.36Å; I641-M690 HydrophobicContact CG1-CB 3.99Å; I641-M690 HydrophobicContact CG1-CG 4.34Å; I641-M690 HydrophobicContact CG1-SD 4.47Å; F655-M690 HydrophobicContact CE1-CG 4.18Å; F655-M690 HydrophobicContact CZ-CG 4.33Å; L660-M690 HydrophobicContact CD1-CE 3.63Å; L660-M690 HydrophobicContact CD1-CG 4.27Å; L660-M690 HydrophobicContact CD2-CG 3.92Å; L667-M690 HydrophobicContact CD1-CE 3.54Å; L670-M690 HydrophobicContact CB-CE 4.49Å; L670-M690 HydrophobicContact CD1-CE 4.42Å; L671-M690 HydrophobicContact CD2-CE 4.27Å; L671-M690 HydrophobicContact CD2-SD 4.38Å; T686-M690 HydrophobicContact CG2-CE 4.41Å; T686-M690 WeakPolarHBondContact O-CG 3.37Å; T686-M690 PolarHBondContact O-N 3.25Å; F687-M690 HydrophobicContact CD1-SD 3.91Å; F687-M690 HydrophobicContact CE1-SD 4.23Å; F687-M690 WeakPolarHBondContact O-CB 3.06Å; F687-M690 PolarHBondContact O-N 2.82Å; M690-L694 WeakPolarHBondContact O-CB 3.46Å; M690-L694 PolarHBondContact O-N 2.74Å |
| 691 | W | 95.7 | Very high | 93.3 | Very high | 84 Ų | 84 | 70 Ų | 70 | 32% | 0.318 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | -179.2 | -174.7 | 96.8 | 0 | 0 | 0 | 111.7 | M629 I632 L637 F687 R688 L694 H695 | M629-W691 HydrophobicContact CG-CH2 4.46Å; M629-W691 HydrophobicContact SD-CE3 4.26Å; M629-W691 HydrophobicContact SD-CH2 3.65Å; M629-W691 HydrophobicContact SD-CZ2 4.5Å; M629-W691 HydrophobicContact SD-CZ3 3.5Å; M629-W691 WeakPolarHBondContact SD-CZ3 3.31Å; I632-W691 HydrophobicContact CD1-CB 3.96Å; I632-W691 HydrophobicContact CD1-CD2 4.5Å; I632-W691 HydrophobicContact CD1-CG 3.93Å; L637-W691 HydrophobicContact CD1-CB 4.32Å; L637-W691 HydrophobicContact CD2-CB 3.83Å; F687-W691 WeakPolarHBondContact O-CB 3.39Å; F687-W691 PolarHBondContact O-N 2.9Å; R688-W691 PolarHBondContact O-N 3.15Å; W691-L694 PolarHBondContact O-N 3.4Å; W691-H695 AromaticContact CD1-CE1 3.8Å; W691-H695 AromaticContact CD2-CE1 3.78Å; W691-H695 AromaticContact CD2-ND1 3.63Å; W691-H695 AromaticContact CE2-CE1 3.32Å; W691-H695 AromaticContact CE2-ND1 3.61Å; W691-H695 AromaticContact CZ2-CE1 3.69Å; W691-H695 AromaticContact CZ2-ND1 3.96Å; W691-H695 AromaticContact NE1-CE1 3.35Å; W691-H695 PolarHBondContact NE1-CE1 2.83Å; W691-H695 VanDerWaalsContact NE1-CE1 3.35Å; W691-H695 AromaticContact NE1-ND1 3.99Å; W691-H695 PolarHBondContact O-N 3.5Å; W691-H695 PolarHBondContact O-ND1 3.1Å |
| 692 | K | 94.5 | Very high | 93.5 | Very high | 126 Ų | 126 | 63.4 Ų | 63.4 | 55% | 0.548 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.9 | -55 | 176.9 | -173.4 | -166.3 | 177.3 | -154.3 | 0 | 110.9 | R688 L694 H695 E696 | R688-K692 WeakPolarHBondContact O-CB 3.41Å; R688-K692 PolarHBondContact O-N 2.84Å; K692-L694 PolarHBondContact O-N 2.9Å; K692-H695 PolarHBondContact O-N 2.84Å; K692-E696 WeakPolarHBondContact CE-OE1 3.43Å; K692-E696 IonicContact NZ-OE1 2.93Å; K692-E696 PolarHBondContact NZ-OE1 2.75Å; K692-E696 PolarHBondContact O-N 3.17Å |
| 693 | W | 95.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 60 Ų | 60 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.7 | -33.1 | 179.1 | 179.4 | 85.5 | 0 | 0 | 0 | 112.2 | I641 E644 L645 I650 F655 I659 R689 H695 E696 R701 L705 | I641-W693 HydrophobicContact CD1-CE3 4.05Å; I641-W693 HydrophobicContact CD1-CZ3 4.27Å; E644-W693 HydrophobicContact CB-CZ3 4.38Å; E644-W693 HydrophobicContact CG-CH2 4.24Å; E644-W693 HydrophobicContact CG-CZ3 4.18Å; L645-W693 HydrophobicContact CD2-CH2 4.49Å; I650-W693 HydrophobicContact CD1-CH2 4.04Å; I650-W693 HydrophobicContact CD1-CZ2 4.15Å; F655-W693 HydrophobicContact CD2-CD2 4.43Å; F655-W693 AromaticContact CE2-CD2 3.55Å; F655-W693 HydrophobicContact CE2-CD2 3.55Å; F655-W693 AromaticContact CE2-CE2 3.94Å; F655-W693 AromaticContact CE2-CE3 3.57Å; F655-W693 HydrophobicContact CE2-CE3 3.57Å; F655-W693 AromaticContact CE2-CG 3.99Å; F655-W693 HydrophobicContact CE2-CG 3.99Å; F655-W693 HydrophobicContact CE2-CH2 4.35Å; F655-W693 HydrophobicContact CE2-CZ2 4.33Å; F655-W693 AromaticContact CE2-CZ3 3.99Å; F655-W693 HydrophobicContact CE2-CZ3 3.99Å; F655-W693 HydrophobicContact CZ-CD2 4.34Å; F655-W693 HydrophobicContact CZ-CE3 4.07Å; I659-W693 HydrophobicContact CG2-CB 3.85Å; I659-W693 HydrophobicContact CG2-CG 4Å; R689-W693 WeakPolarHBondContact O-CB 3.45Å; R689-W693 PolarHBondContact O-N 2.83Å; W693-H695 VanDerWaalsContact C-N 3.3Å; W693-H695 PolarHBondContact O-N 3.46Å; W693-E696 PolarHBondContact O-N 2.93Å; W693-R701 HydrophobicContact CD2-CG 4.42Å; W693-R701 HydrophobicContact CZ2-CB 3.95Å; W693-R701 PolarHBondContact NE1-O 3.25Å; W693-R701 VanDerWaalsContact NE1-O 3.15Å; W693-R701 WeakPolarHBondContact O-CD 3.44Å; W693-R701 WeakPolarHBondContact O-CG 3.24Å; W693-L705 HydrophobicContact CZ2-CD1 4.22Å |
| 694 | L | 95.6 | Very high | 93.5 | Very high | 25 Ų | 25 | 60.2 Ų | 60.2 | 13% | 0.131 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67 | -29.5 | 176.4 | -170.3 | 66.8 | 0 | 0 | 0 | 113.3 | L637 R640 I641 E644 M690 W691 K692 | L637-L694 HydrophobicContact CD1-CD2 3.86Å; R640-L694 HydrophobicContact CB-CD2 3.68Å; R640-L694 HydrophobicContact CG-CD2 4.42Å; I641-L694 HydrophobicContact CD1-CB 4.18Å; I641-L694 HydrophobicContact CD1-CD1 4.37Å; E644-L694 HydrophobicContact CB-CD1 4.34Å; E644-L694 HydrophobicContact CG-CD1 4.24Å; M690-L694 WeakPolarHBondContact O-CB 3.46Å; M690-L694 PolarHBondContact O-N 2.74Å; W691-L694 PolarHBondContact O-N 3.4Å; K692-L694 PolarHBondContact O-N 2.9Å |
| 695 | H | 93.4 | Very high | 93.2 | Very high | 108 Ų | 108 | 58.1 Ų | 58.1 | 50% | 0.5 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -94.6 | -11 | 179.4 | -67.1 | 84.8 | 0 | 0 | 0 | 114.1 | W691 K692 W693 | W691-H695 AromaticContact CD1-CE1 3.8Å; W691-H695 AromaticContact CD2-CE1 3.78Å; W691-H695 AromaticContact CD2-ND1 3.63Å; W691-H695 AromaticContact CE2-CE1 3.32Å; W691-H695 AromaticContact CE2-ND1 3.61Å; W691-H695 AromaticContact CZ2-CE1 3.69Å; W691-H695 AromaticContact CZ2-ND1 3.96Å; W691-H695 AromaticContact NE1-CE1 3.35Å; W691-H695 PolarHBondContact NE1-CE1 2.83Å; W691-H695 VanDerWaalsContact NE1-CE1 3.35Å; W691-H695 AromaticContact NE1-ND1 3.99Å; W691-H695 PolarHBondContact O-N 3.5Å; W691-H695 PolarHBondContact O-ND1 3.1Å; K692-H695 PolarHBondContact O-N 2.84Å; W693-H695 VanDerWaalsContact C-N 3.3Å; W693-H695 PolarHBondContact O-N 3.46Å |
| 696 | E | 92.8 | Very high | 92.4 | Very high | 31 Ų | 31 | 62.8 Ų | 62.8 | 15% | 0.145 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -63.4 | 144.4 | 169.4 | -75.5 | 172 | 178.9 | 0 | 0 | 110.1 | K692 W693 Q700 R701 | K692-E696 WeakPolarHBondContact CE-OE1 3.43Å; K692-E696 IonicContact NZ-OE1 2.93Å; K692-E696 PolarHBondContact NZ-OE1 2.75Å; K692-E696 PolarHBondContact O-N 3.17Å; W693-E696 PolarHBondContact O-N 2.93Å; E696-Q700 HydrophobicContact CB-CB 4.43Å; E696-Q700 HydrophobicContact CB-CG 4.24Å; E696-Q700 HydrophobicContact CG-CG 4.36Å; E696-R701 HydrophobicContact CB-CG 3.8Å; E696-R701 WeakPolarHBondContact O-CD 3.35Å; E696-R701 WeakPolarHBondContact O-CG 3.38Å |
| 697 | P | 92.8 | Very high | 90.7 | Very high | 59 Ų | 59 | 67.8 Ų | 67.8 | 38% | 0.383 | 31% | 0.313 | S | S | . | . | trans | -66.1 | 153.4 | 178.6 | 28.2 | -35.3 | 0 | 0 | 0 | 111.3 | F699 Q700 R701 | P697-F699 VanDerWaalsContact C-N 3.3Å; P697-F699 HydrophobicContact CB-CD1 3.96Å; P697-F699 HydrophobicContact CB-CE1 3.59Å; P697-F699 HydrophobicContact CB-CZ 4.29Å; P697-F699 HydrophobicContact CG-CD1 4.15Å; P697-F699 HydrophobicContact CG-CE1 3.49Å; P697-F699 VanDerWaalsContact CG-CE1 3.49Å; P697-F699 HydrophobicContact CG-CE2 4.44Å; P697-F699 HydrophobicContact CG-CZ 3.66Å; P697-F699 PolarHBondContact O-N 3.19Å; P697-F699 VanDerWaalsContact O-N 3.12Å; P697-Q700 HydrophobicContact CG-CB 3.93Å; P697-Q700 WeakPolarHBondContact O-CA 3.49Å; P697-Q700 WeakPolarHBondContact O-CB 3.2Å; P697-Q700 PolarHBondContact O-N 3.3Å; P697-R701 PolarHBondContact O-N 2.63Å | ||
| 698 | E | 92 | Very high | 88.7 | Confident | 108 Ų | 108 | 69.1 Ų | 69.1 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -53.1 | -41.2 | -168.1 | -175.1 | 169.9 | -158.3 | 0 | 0 | 114.6 | Y648 Q700 R701 M702 | Y648-E698 WeakPolarHBondContact CE1-OE1 3.45Å; Y648-E698 VanDerWaalsContact OH-CD 3.22Å; Y648-E698 PolarHBondContact OH-OE1 3.05Å; E698-Q700 VanDerWaalsContact C-N 3.34Å; E698-Q700 PolarHBondContact O-N 3.4Å; E698-R701 PolarHBondContact O-N 3.36Å; E698-M702 WeakPolarHBondContact O-CB 3.46Å; E698-M702 PolarHBondContact O-N 3.05Å |
| 699 | F | 91.7 | Very high | 86.6 | Confident | 156 Ų | 156 | 70.7 Ų | 70.7 | 68% | 0.684 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 176.8 | 69.9 | -93.2 | 0 | 0 | 0 | 112.6 | P697 M702 S703 | P697-F699 VanDerWaalsContact C-N 3.3Å; P697-F699 HydrophobicContact CB-CD1 3.96Å; P697-F699 HydrophobicContact CB-CE1 3.59Å; P697-F699 HydrophobicContact CB-CZ 4.29Å; P697-F699 HydrophobicContact CG-CD1 4.15Å; P697-F699 HydrophobicContact CG-CE1 3.49Å; P697-F699 VanDerWaalsContact CG-CE1 3.49Å; P697-F699 HydrophobicContact CG-CE2 4.44Å; P697-F699 HydrophobicContact CG-CZ 3.66Å; P697-F699 PolarHBondContact O-N 3.19Å; P697-F699 VanDerWaalsContact O-N 3.12Å; F699-M702 PolarHBondContact O-N 2.67Å; F699-S703 PolarHBondContact O-N 3.18Å |
| 700 | Q | 92 | Very high | 84.3 | Confident | 72 Ų | 72 | 69.7 Ų | 69.7 | 34% | 0.336 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -73.5 | -39.9 | 179 | -177.7 | 174.2 | -9 | 0 | 0 | 111.3 | E696 P697 E698 M702 S703 A704 | E696-Q700 HydrophobicContact CB-CB 4.43Å; E696-Q700 HydrophobicContact CB-CG 4.24Å; E696-Q700 HydrophobicContact CG-CG 4.36Å; P697-Q700 HydrophobicContact CG-CB 3.93Å; P697-Q700 WeakPolarHBondContact O-CA 3.49Å; P697-Q700 WeakPolarHBondContact O-CB 3.2Å; P697-Q700 PolarHBondContact O-N 3.3Å; E698-Q700 VanDerWaalsContact C-N 3.34Å; E698-Q700 PolarHBondContact O-N 3.4Å; Q700-M702 PolarHBondContact O-N 3.25Å; Q700-S703 WeakPolarHBondContact CA-OG 3.4Å; Q700-S703 PolarHBondContact O-N 2.88Å; Q700-S703 PolarHBondContact O-OG 2.74Å; Q700-A704 WeakPolarHBondContact O-CB 3.18Å; Q700-A704 PolarHBondContact O-N 2.8Å |
| 701 | R | 92.9 | Very high | 82.1 | Confident | 22 Ų | 22 | 74 Ų | 74 | 8% | 0.083 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.2 | -39 | 173 | -63.7 | -168 | -53.8 | 177.6 | 9.9 | 111.8 | E644 Y648 W693 E696 P697 E698 L705 | E644-R701 IonicContact OE1-CZ 3.98Å; E644-R701 VanDerWaalsContact OE1-CZ 3.23Å; E644-R701 IonicContact OE1-NH1 2.69Å; E644-R701 PolarHBondContact OE1-NH1 3.23Å; E644-R701 IonicContact OE1-NH2 3.93Å; E644-R701 PolarHBondContact OE1-NH2 2.95Å; Y648-R701 PolarHBondContact OH-NH2 3.26Å; W693-R701 HydrophobicContact CD2-CG 4.42Å; W693-R701 HydrophobicContact CZ2-CB 3.95Å; W693-R701 PolarHBondContact NE1-O 3.25Å; W693-R701 VanDerWaalsContact NE1-O 3.15Å; W693-R701 WeakPolarHBondContact O-CD 3.44Å; W693-R701 WeakPolarHBondContact O-CG 3.24Å; E696-R701 HydrophobicContact CB-CG 3.8Å; E696-R701 WeakPolarHBondContact O-CD 3.35Å; E696-R701 WeakPolarHBondContact O-CG 3.38Å; P697-R701 PolarHBondContact O-N 2.63Å; E698-R701 PolarHBondContact O-N 3.36Å; R701-L705 WeakPolarHBondContact O-CG 3.35Å |
| 702 | M | 90.5 | Very high | 80 | Confident | 58 Ų | 58 | 75.2 Ų | 75.2 | 29% | 0.286 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -75.4 | -37.8 | 178.6 | -162.6 | 62.9 | 64.3 | 0 | 0 | 112.3 | Y648 E698 F699 Q700 L705 R706 | Y648-M702 HydrophobicContact CD1-CE 4.36Å; E698-M702 WeakPolarHBondContact O-CB 3.46Å; E698-M702 PolarHBondContact O-N 3.05Å; F699-M702 PolarHBondContact O-N 2.67Å; Q700-M702 PolarHBondContact O-N 3.25Å; M702-L705 PolarHBondContact O-N 3.28Å; M702-L705 HydrophobicContact SD-CD1 4.46Å; M702-R706 WeakPolarHBondContact O-CG 3.49Å; M702-R706 PolarHBondContact O-N 3.09Å |
| 703 | S | 88.2 | Confident | 77.7 | Confident | 45 Ų | 45 | 79.5 Ų | 79.5 | 32% | 0.315 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 175.2 | 68.6 | 0 | 0 | 0 | 0 | 111.9 | F699 Q700 L705 R706 L707 | F699-S703 PolarHBondContact O-N 3.18Å; Q700-S703 WeakPolarHBondContact CA-OG 3.4Å; Q700-S703 PolarHBondContact O-N 2.88Å; Q700-S703 PolarHBondContact O-OG 2.74Å; S703-L705 PolarHBondContact O-N 3.33Å; S703-R706 PolarHBondContact O-N 3.46Å; S703-R706 VanDerWaalsContact O-N 3.08Å; S703-L707 WeakPolarHBondContact O-CB 3.5Å; S703-L707 VanDerWaalsContact O-CG 3.29Å; S703-L707 WeakPolarHBondContact O-CG 3.33Å; S703-L707 PolarHBondContact O-N 3.02Å |
| 704 | A | 87.7 | Confident | 75.1 | Confident | 31 Ų | 31 | 87.5 Ų | 87.5 | 26% | 0.256 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.3 | -23.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I659 Q700 | I659-A704 HydrophobicContact CD1-CB 3.71Å; Q700-A704 WeakPolarHBondContact O-CB 3.18Å; Q700-A704 PolarHBondContact O-N 2.8Å |
| 705 | L | 88.9 | Confident | 72.5 | Confident | 14 Ų | 14 | 90 Ų | 90 | 7% | 0.073 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -80.7 | -41.1 | 172.3 | -65.6 | 168.5 | 0 | 0 | 0 | 112 | I650 V654 F655 R658 I659 W693 R701 M702 S703 | I650-L705 HydrophobicContact CD1-CD1 3.63Å; I650-L705 HydrophobicContact CG1-CD1 3.92Å; I650-L705 HydrophobicContact CG2-CD1 4.08Å; I650-L705 HydrophobicContact CG2-CD2 4.13Å; V654-L705 HydrophobicContact CG1-CD2 4.2Å; F655-L705 HydrophobicContact CD2-CD2 4.41Å; R658-L705 PolarHBondContact NH1-O 3.12Å; I659-L705 HydrophobicContact CD1-CD2 4.27Å; I659-L705 HydrophobicContact CG1-CD2 4.06Å; W693-L705 HydrophobicContact CZ2-CD1 4.22Å; R701-L705 WeakPolarHBondContact O-CG 3.35Å; M702-L705 PolarHBondContact O-N 3.28Å; M702-L705 HydrophobicContact SD-CD1 4.46Å; S703-L705 PolarHBondContact O-N 3.33Å |
| 706 | R | 76.2 | Confident | 69.7 | Low | 172 Ų | 172 | 87 Ų | 87 | 65% | 0.649 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -74.1 | -44.3 | -176.3 | -69.5 | 178.1 | -178.4 | -179.9 | 0.1 | 113.9 | M702 S703 A708 E709 | M702-R706 WeakPolarHBondContact O-CG 3.49Å; M702-R706 PolarHBondContact O-N 3.09Å; S703-R706 PolarHBondContact O-N 3.46Å; S703-R706 VanDerWaalsContact O-N 3.08Å; R706-A708 PolarHBondContact O-N 3.12Å; R706-E709 PolarHBondContact O-N 3.09Å |
| 707 | L | 60 | Low | 67.1 | Low | 120 Ų | 120 | 91.5 Ų | 91.5 | 63% | 0.628 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -16.7 | -166 | -80.3 | 166 | 0 | 0 | 0 | 115.8 | S703 S710 | S703-L707 WeakPolarHBondContact O-CB 3.5Å; S703-L707 VanDerWaalsContact O-CG 3.29Å; S703-L707 WeakPolarHBondContact O-CG 3.33Å; S703-L707 PolarHBondContact O-N 3.02Å; L707-S710 PolarHBondContact O-OG 2.87Å |
| 708 | A | 53.1 | Low | 64.6 | Low | 28 Ų | 28 | 93.9 Ų | 93.9 | 23% | 0.231 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -105.6 | 14.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R658 R706 | R658-A708 HydrophobicContact CG-CB 4.46Å; R658-A708 VanDerWaalsContact CZ-C 3.41Å; R658-A708 VanDerWaalsContact NH1-C 3.28Å; R658-A708 PolarHBondContact NH2-O 3.27Å; R658-A708 VanDerWaalsContact NH2-O 3.1Å; R706-A708 PolarHBondContact O-N 3.12Å |
| 709 | E | 51.7 | Low | 61.9 | Low | 129 Ų | 129 | 94.6 Ų | 94.6 | 60% | 0.603 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -77.9 | -25.2 | 166.9 | -74.1 | -166.9 | 125.7 | 0 | 0 | 113.5 | R706 | R706-E709 PolarHBondContact O-N 3.09Å |
| 710 | S | 48.5 | Very low | 59.3 | Low | 71 Ų | 71 | 91 Ų | 91 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.3 | -56.7 | 168.1 | 45.1 | 0 | 0 | 0 | 0 | 111.1 | L707 L712 R713 | L707-S710 PolarHBondContact O-OG 2.87Å; S710-L712 VanDerWaalsContact C-N 3.3Å; S710-L712 PolarHBondContact O-N 3.44Å; S710-R713 PolarHBondContact O-N 3.43Å; S710-R713 VanDerWaalsContact O-N 3.08Å |
| 711 | D | 49.9 | Very low | 56.5 | Low | 89 Ų | 89 | 94.4 Ų | 94.4 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69 | -31.1 | -161.7 | -62.6 | 8.5 | 0 | 0 | 0 | 112.1 | R713 Y714 T715 | D711-R713 PolarHBondContact O-N 3.27Å; D711-R713 VanDerWaalsContact O-N 3.09Å; D711-Y714 PolarHBondContact O-N 2.91Å; D711-T715 WeakPolarHBondContact O-CA 3.45Å; D711-T715 WeakPolarHBondContact O-CB 3.36Å; D711-T715 PolarHBondContact O-N 3.16Å; D711-T715 PolarHBondContact O-OG1 3.17Å |
| 712 | L | 51.9 | Low | 53.8 | Low | 110 Ų | 110 | 104.1 Ų | 104.1 | 58% | 0.576 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.4 | -1.5 | 178.4 | -148.6 | 76.9 | 0 | 0 | 0 | 114.1 | S710 | S710-L712 VanDerWaalsContact C-N 3.3Å; S710-L712 PolarHBondContact O-N 3.44Å |
| 713 | R | 45.3 | Very low | 51.1 | Low | 217 Ų | 217 | 110.6 Ų | 110.6 | 82% | 0.819 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -106.6 | -20.6 | 175.1 | -59.4 | -173.3 | -173.4 | -126.3 | 4 | 113.9 | S710 D711 | S710-R713 PolarHBondContact O-N 3.43Å; S710-R713 VanDerWaalsContact O-N 3.08Å; D711-R713 PolarHBondContact O-N 3.27Å; D711-R713 VanDerWaalsContact O-N 3.09Å |
| 714 | Y | 41.9 | Very low | 48.5 | Very low | 173 Ų | 173 | 117.8 Ų | 117.8 | 68% | 0.678 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -122.4 | -15 | -177.9 | -116.9 | -86.3 | 0 | 0 | 0 | 114 | L243 D711 | L243-Y714 WeakPolarHBondContact CD1-OH 3.41Å; D711-Y714 PolarHBondContact O-N 2.91Å |
| 715 | T | 41.2 | Very low | 46 | Very low | 76 Ų | 76 | 120.4 Ų | 120.4 | 47% | 0.466 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -101.7 | 130.6 | 159.8 | 68.5 | 0 | 0 | 0 | 0 | 108.8 | D711 | D711-T715 WeakPolarHBondContact O-CA 3.45Å; D711-T715 WeakPolarHBondContact O-CB 3.36Å; D711-T715 PolarHBondContact O-N 3.16Å; D711-T715 PolarHBondContact O-OG1 3.17Å |
| 716 | G | 33.6 | Very low | 43.3 | Very low | 46 Ų | 46 | 128.8 Ų | 128.8 | 47% | 0.474 | 65% | 0.647 | S | S | . | * | trans | -62.4 | -178.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V718 | G716-V718 PolarHBondContact O-N 3.24Š| ||
| 717 | P | 38.8 | Very low | 41.6 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -71.3 | 59.2 | -171.4 | 29.2 | -36.4 | 0 | 0 | 0 | 115.3 | V719 | P717-V719 PolarHBondContact O-N 2.99Š|
| 718 | V | 40.1 | Very low | 40.8 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 66% | 0.661 | 66% | 0.662 | S | S | * | * | trans | -91.8 | 69.5 | -177.7 | -170 | 0 | 0 | 0 | 0 | 110.8 | G716 | G716-V718 PolarHBondContact O-N 3.24Š| ||
| 719 | V | 36.8 | Very low | 40.2 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 75% | 0.745 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -165.8 | 64.5 | 131.7 | -174.2 | 0 | 0 | 0 | 0 | 107.6 | P717 | P717-V719 PolarHBondContact O-N 2.99Š|
| 720 | C | 36.8 | Very low | 39.8 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 53% | 0.534 | 70% | 0.696 | S | S | . | * | trans | -166.2 | 70.1 | 157.4 | -100.4 | 0 | 0 | 0 | 0 | 108.1 | R722 | C720-R722 PolarHBondContact O-N 3.23Š| ||
| 721 | K | 31.9 | Very low | 39.2 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 63% | 0.626 | 71% | 0.713 | S | S | * | * | trans | -59.8 | 99.8 | 177 | -69.9 | -173.2 | 179.2 | -178.1 | 0 | 109.8 | E1189 | K721-E1189 IonicContact NZ-OE1 3.29Å; K721-E1189 PolarHBondContact NZ-OE1 3.47Å; K721-E1189 IonicContact NZ-OE2 2.79Å; K721-E1189 PolarHBondContact NZ-OE2 3.15Å | ||
| 722 | R | 36.9 | Very low | 38.6 | Very low | 227 Ų | 227 | 143.8 Ų | 143.8 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | trans | -81.5 | 138 | 155.2 | -92.8 | 178.7 | -76 | 136.4 | 1.6 | 106.9 | C720 E724 | C720-R722 PolarHBondContact O-N 3.23Å; R722-E724 PolarHBondContact O-N 2.99Å | ||
| 723 | K | 34.7 | Very low | 38.1 | Very low | 194 Ų | 194 | 142 Ų | 142 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | -64 | 96.1 | 172.2 | 179.7 | 176.3 | 177.3 | 175.5 | 0 | 108.6 | S725 | K723-S725 PolarHBondContact O-N 3.29Š| ||
| 724 | E | 33.1 | Very low | 38.4 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 92% | 0.916 | 73% | 0.728 | S | S | * | * | trans | -93.3 | 80.6 | 167.2 | -172.6 | 155.7 | -140.4 | 0 | 0 | 106.9 | R722 E726 | R722-E724 PolarHBondContact O-N 2.99Å; E724-E726 PolarHBondContact O-N 3.31Å | ||
| 725 | S | 35.8 | Very low | 39.2 | Very low | 86 Ų | 86 | 141.2 Ų | 141.2 | 60% | 0.601 | 73% | 0.727 | S | S | * | * | trans | -74.1 | 118.5 | 176.7 | 42.1 | 0 | 0 | 0 | 0 | 109.8 | K723 | K723-S725 PolarHBondContact O-N 3.29Š| ||
| 726 | E | 31.1 | Very low | 40.3 | Very low | 189 Ų | 189 | 142.8 Ų | 142.8 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 14.8 | 95.3 | 169.3 | -56.6 | -160.7 | 156.4 | 0 | 0 | 117.7 | E724 | E724-E726 PolarHBondContact O-N 3.31Š|
| 727 | H | 41.3 | Very low | 42.3 | Very low | 149 Ų | 149 | 150.3 Ų | 150.3 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | trans | -144.8 | 52.3 | 156.5 | -150.8 | -94.4 | 0 | 0 | 0 | 113.8 | K729 | H727-K729 PolarHBondContact O-N 3.47Š| ||
| 728 | I | 41.9 | Very low | 44.4 | Very low | 177 Ų | 177 | 153.8 Ų | 153.8 | 91% | 0.908 | 76% | 0.761 | S | S | * | * | trans | -80.4 | 66.3 | 166.3 | -49.6 | -178.7 | 0 | 0 | 0 | 109.1 | ||||
| 729 | K | 41.1 | Very low | 46.7 | Very low | 164 Ų | 164 | 154.6 Ų | 154.6 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | -86.1 | 155.8 | 153.8 | -107.5 | 176.2 | 177.7 | 175.4 | 0 | 108.2 | H727 | H727-K729 PolarHBondContact O-N 3.47Š| ||
| 730 | L | 42.3 | Very low | 49.2 | Very low | 160 Ų | 160 | 159.8 Ų | 159.8 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -63.1 | 150.7 | -161.3 | -78.3 | 67.3 | 0 | 0 | 0 | 113.2 | E732 | L730-E732 PolarHBondContact O-N 2.93Å; L730-E732 VanDerWaalsContact O-N 3.09Å | ||
| 731 | A | 37.7 | Very low | 51.9 | Low | 104 Ų | 104 | 160.6 Ų | 160.6 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -74.9 | 96.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 732 | E | 37 | Very low | 54.9 | Low | 171 Ų | 171 | 159 Ų | 159 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -143.9 | 146.7 | 153.4 | -162.5 | 55.5 | -90.5 | 0 | 0 | 108.8 | L730 | L730-E732 PolarHBondContact O-N 2.93Å; L730-E732 VanDerWaalsContact O-N 3.09Å | ||
| 733 | S | 40.4 | Very low | 57.8 | Low | 73 Ų | 73 | 150.3 Ų | 150.3 | 51% | 0.51 | 74% | 0.744 | S | S | . | * | trans | 62.1 | 97.2 | -167.7 | 79.3 | 0 | 0 | 0 | 0 | 115.3 | Q735 | S733-Q735 PolarHBondContact O-N 3.41Å; S733-Q735 PolarHBondContact OG-NE2 3.06Å | ||
| 734 | R | 52.5 | Low | 60.7 | Low | 231 Ų | 231 | 144.4 Ų | 144.4 | 87% | 0.872 | 72% | 0.724 | S | S | * | * | trans | -71.3 | 75.9 | 156.4 | -73.3 | -176.3 | -178.9 | 165.2 | 5.2 | 108.8 | ||||
| 735 | Q | 59.1 | Low | 63.8 | Low | 141 Ų | 141 | 140 Ų | 140 | 66% | 0.659 | 71% | 0.706 | S | S | * | * | trans | -45 | 122.9 | -176.9 | -73.2 | -66.2 | -24.5 | 0 | 0 | 111.3 | S733 K737 | S733-Q735 PolarHBondContact O-N 3.41Å; S733-Q735 PolarHBondContact OG-NE2 3.06Å; Q735-K737 PolarHBondContact O-N 3.33Å | ||
| 736 | P | 64.2 | Low | 66.7 | Low | 109 Ų | 109 | 140.6 Ų | 140.6 | 71% | 0.708 | 70% | 0.702 | S | S | * | * | trans | -61.5 | 124.5 | -174.8 | 24 | -32.7 | 0 | 0 | 0 | 109.4 | K738 | P736-K738 PolarHBondContact O-N 2.84Š| ||
| 737 | K | 75.5 | Confident | 69.8 | Low | 205 Ų | 205 | 132.9 Ų | 132.9 | 89% | 0.891 | 67% | 0.666 | S | S | * | * | trans | -54.5 | 110.8 | -174.4 | -69.8 | 173.3 | -178.5 | 167.5 | 0 | 109.5 | Q735 | Q735-K737 PolarHBondContact O-N 3.33Š| ||
| 738 | K | 81.7 | Confident | 72.5 | Confident | 199 Ų | 199 | 130 Ų | 130 | 87% | 0.865 | 65% | 0.649 | S | S | * | * | trans | -41.1 | 120.5 | -174 | -67 | -173.3 | 177.8 | -175.5 | 0 | 110 | P736 R740 | P736-K738 PolarHBondContact O-N 2.84Å; K738-R740 PolarHBondContact O-N 3Å | ||
| 739 | P | 88.9 | Confident | 75.2 | Confident | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 136.3 | -170.4 | 22.9 | -33.2 | 0 | 0 | 0 | 110.2 | L741 | P739-L741 PolarHBondContact O-N 3.33Š|
| 740 | R | 90 | Very high | 77.8 | Confident | 232 Ų | 232 | 123.5 Ų | 123.5 | 88% | 0.875 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 121.6 | -173.9 | -168.5 | -177.6 | -156.3 | 163.7 | 9.9 | 109.8 | K738 V742 | K738-R740 PolarHBondContact O-N 3Å; R740-V742 PolarHBondContact O-N 3.29Å |
| 741 | L | 93.4 | Very high | 80.5 | Confident | 96 Ų | 96 | 115.9 Ų | 115.9 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -52.8 | 124.6 | 175.2 | -172.6 | 154.5 | 0 | 0 | 0 | 110.6 | P739 F743 L775 T779 | P739-L741 PolarHBondContact O-N 3.33Å; L741-F743 HydrophobicContact CD2-CD1 3.97Å; L741-F743 HydrophobicContact CD2-CE1 3.93Å; L741-F743 HydrophobicContact CD2-CG 4.46Å; L741-F743 HydrophobicContact CD2-CZ 4.38Å; L741-L775 HydrophobicContact CD1-CD2 4.33Å; L741-L775 HydrophobicContact CD2-CD2 4.41Å; L741-T779 HydrophobicContact CD1-CG2 4.16Å; L741-T779 HydrophobicContact CD2-CG2 4.14Å |
| 742 | V | 94.8 | Very high | 83.3 | Confident | 111 Ų | 111 | 115.6 Ų | 115.6 | 67% | 0.673 | 56% | 0.555 | S | S | * | * | trans | -114.4 | 122.6 | 172.9 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | R740 T744 | R740-V742 PolarHBondContact O-N 3.29Å; V742-T744 PolarHBondContact O-N 3.31Å | ||
| 743 | F | 96.5 | Very high | 86.2 | Confident | 44 Ų | 44 | 109.6 Ų | 109.6 | 19% | 0.193 | 53% | 0.534 | C | S | . | . | trans | -61.6 | 129.9 | 174.5 | -62.8 | -65.5 | 0 | 0 | 0 | 111.1 | L741 Q747 R748 L751 L775 T779 F783 | L741-F743 HydrophobicContact CD2-CD1 3.97Å; L741-F743 HydrophobicContact CD2-CE1 3.93Å; L741-F743 HydrophobicContact CD2-CG 4.46Å; L741-F743 HydrophobicContact CD2-CZ 4.38Å; F743-Q747 HydrophobicContact CB-CB 4.33Å; F743-Q747 HydrophobicContact CD1-CB 4.38Å; F743-R748 HydrophobicContact CB-CB 4.32Å; F743-R748 PolarHBondContact O-NH2 3.02Å; F743-L751 HydrophobicContact CD1-CD1 4Å; F743-L751 HydrophobicContact CE1-CD1 3.85Å; F743-L751 HydrophobicContact CZ-CD1 4.34Å; F743-L775 HydrophobicContact CD1-CD1 4.06Å; F743-L775 HydrophobicContact CD1-CD2 4.23Å; F743-L775 HydrophobicContact CE1-CD1 3.86Å; F743-L775 HydrophobicContact CE1-CD2 4.16Å; F743-T779 HydrophobicContact CE1-CG2 3.63Å; F743-T779 HydrophobicContact CZ-CG2 3.81Å; F743-F783 HydrophobicContact CE2-CD2 4.01Å; F743-F783 HydrophobicContact CZ-CB 4.15Å; F743-F783 HydrophobicContact CZ-CD2 4.26Å | ||
| 744 | T | 97.2 | Very high | 88.9 | Confident | 69 Ų | 69 | 107 Ų | 107 | 42% | 0.423 | 52% | 0.515 | S | S | . | . | trans | -63.7 | 158.9 | 168.6 | 69 | 0 | 0 | 0 | 0 | 110.2 | V742 I746 Q747 R748 | V742-T744 PolarHBondContact O-N 3.31Å; T744-I746 PolarHBondContact O-N 2.94Å; T744-I746 VanDerWaalsContact OG1-CG2 3.3Å; T744-I746 WeakPolarHBondContact OG1-CG2 3.23Å; T744-Q747 PolarHBondContact O-N 2.86Å; T744-Q747 VanDerWaalsContact O-N 3.17Å; T744-Q747 VanDerWaalsContact OG1-CG 3.25Å; T744-Q747 WeakPolarHBondContact OG1-CG 3.27Å; T744-Q747 PolarHBondContact OG1-N 3.13Å; T744-Q747 PolarHBondContact OG1-OE1 3.48Å; T744-R748 VanDerWaalsContact O-CB 3.31Å; T744-R748 WeakPolarHBondContact O-CB 3.4Å; T744-R748 PolarHBondContact O-N 3.23Å | ||
| 745 | D | 97.1 | Very high | 91 | Very high | 103 Ų | 103 | 97.6 Ų | 97.6 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -72.7 | -13.1 | -175.9 | -64.3 | -47.2 | 0 | 0 | 0 | 114.1 | R748 R749 | D745-R748 IonicContact OD1-CZ 3.61Å; D745-R748 IonicContact OD1-NE 3.49Å; D745-R748 PolarHBondContact OD1-NE 3.47Å; D745-R749 WeakPolarHBondContact O-CB 3.46Å; D745-R749 VanDerWaalsContact O-CG 3.29Å; D745-R749 WeakPolarHBondContact O-CG 3.5Å; D745-R749 PolarHBondContact O-N 3.24Å; D745-R749 PolarHBondContact O-NE 3.29Å |
| 746 | I | 96.4 | Very high | 92.7 | Very high | 100 Ų | 100 | 98.8 Ų | 98.8 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76.2 | -52.3 | 164.6 | -175.8 | 59.7 | 0 | 0 | 0 | 110.7 | T744 R748 R749 T750 | T744-I746 PolarHBondContact O-N 2.94Å; T744-I746 VanDerWaalsContact OG1-CG2 3.3Å; T744-I746 WeakPolarHBondContact OG1-CG2 3.23Å; I746-R748 VanDerWaalsContact C-N 3.3Å; I746-R748 PolarHBondContact O-N 3.05Å; I746-R749 PolarHBondContact O-N 3.09Å; I746-T750 PolarHBondContact O-N 3.09Å; I746-T750 PolarHBondContact O-OG1 3.48Å; I746-T750 VanDerWaalsContact O-OG1 3.13Å |
| 747 | Q | 97.9 | Very high | 94.2 | Very high | 26 Ų | 26 | 100.7 Ų | 100.7 | 12% | 0.121 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -54 | -47.1 | 176.4 | -70.4 | 169.6 | -18.5 | 0 | 0 | 111.7 | F743 T744 R749 T750 L751 L773 L775 | F743-Q747 HydrophobicContact CB-CB 4.33Å; F743-Q747 HydrophobicContact CD1-CB 4.38Å; T744-Q747 PolarHBondContact O-N 2.86Å; T744-Q747 VanDerWaalsContact O-N 3.17Å; T744-Q747 VanDerWaalsContact OG1-CG 3.25Å; T744-Q747 WeakPolarHBondContact OG1-CG 3.27Å; T744-Q747 PolarHBondContact OG1-N 3.13Å; T744-Q747 PolarHBondContact OG1-OE1 3.48Å; Q747-R749 PolarHBondContact O-N 2.84Å; Q747-T750 PolarHBondContact O-N 3.31Å; Q747-L751 VanDerWaalsContact O-CB 3.27Å; Q747-L751 WeakPolarHBondContact O-CB 3.37Å; Q747-L751 WeakPolarHBondContact O-CD1 3.26Å; Q747-L751 WeakPolarHBondContact O-CG 3.43Å; Q747-L751 PolarHBondContact O-N 3.08Å; Q747-L773 HydrophobicContact CG-CB 4.23Å; Q747-L773 HydrophobicContact CG-CD2 4.4Å; Q747-L773 PolarHBondContact NE2-O 2.83Å; Q747-L775 HydrophobicContact CB-CD1 4.41Å; Q747-L775 HydrophobicContact CG-CD1 4.24Å; Q747-L775 HydrophobicContact CG-CG 4.48Å |
| 748 | R | 97.2 | Very high | 95.1 | Very high | 89 Ų | 89 | 92.6 Ų | 92.6 | 34% | 0.336 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.9 | -48.3 | 178.5 | -174.9 | -169.3 | -53.6 | -75.7 | -13.1 | 112 | F743 T744 D745 I746 Q752 | F743-R748 HydrophobicContact CB-CB 4.32Å; F743-R748 PolarHBondContact O-NH2 3.02Å; T744-R748 VanDerWaalsContact O-CB 3.31Å; T744-R748 WeakPolarHBondContact O-CB 3.4Å; T744-R748 PolarHBondContact O-N 3.23Å; D745-R748 IonicContact OD1-CZ 3.61Å; D745-R748 IonicContact OD1-NE 3.49Å; D745-R748 PolarHBondContact OD1-NE 3.47Å; I746-R748 VanDerWaalsContact C-N 3.3Å; I746-R748 PolarHBondContact O-N 3.05Å; R748-Q752 VanDerWaalsContact O-CB 3.31Å; R748-Q752 WeakPolarHBondContact O-CB 3.34Å; R748-Q752 WeakPolarHBondContact O-CG 3.34Å; R748-Q752 PolarHBondContact O-N 3.02Å |
| 749 | R | 97.4 | Very high | 95.7 | Very high | 157 Ų | 157 | 87.9 Ų | 87.9 | 59% | 0.592 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -69.4 | -43.7 | -178.6 | -77.4 | -178.5 | -67.5 | 159.7 | -0.1 | 111.8 | D745 I746 Q747 Q752 A753 | D745-R749 WeakPolarHBondContact O-CB 3.46Å; D745-R749 VanDerWaalsContact O-CG 3.29Å; D745-R749 WeakPolarHBondContact O-CG 3.5Å; D745-R749 PolarHBondContact O-N 3.24Å; D745-R749 PolarHBondContact O-NE 3.29Å; I746-R749 PolarHBondContact O-N 3.09Å; Q747-R749 PolarHBondContact O-N 2.84Å; R749-Q752 PolarHBondContact O-N 3.22Å; R749-A753 WeakPolarHBondContact O-CB 3.43Å; R749-A753 PolarHBondContact O-N 3.27Å |
| 750 | T | 97.5 | Very high | 96.1 | Very high | 47 Ų | 47 | 91 Ų | 91 | 29% | 0.288 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 177.5 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | I746 Q747 Q752 A753 I754 L773 | I746-T750 PolarHBondContact O-N 3.09Å; I746-T750 PolarHBondContact O-OG1 3.48Å; I746-T750 VanDerWaalsContact O-OG1 3.13Å; Q747-T750 PolarHBondContact O-N 3.31Å; T750-Q752 VanDerWaalsContact C-N 3.28Å; T750-Q752 PolarHBondContact O-N 3.33Å; T750-A753 PolarHBondContact O-N 3.15Å; T750-I754 HydrophobicContact CG2-CD1 3.83Å; T750-I754 WeakPolarHBondContact O-CD1 3.38Å; T750-I754 WeakPolarHBondContact O-CG1 3.23Å; T750-I754 PolarHBondContact O-N 3.14Å; T750-L773 HydrophobicContact CG2-CD1 4.33Å; T750-L773 HydrophobicContact CG2-CD2 4.01Å |
| 751 | L | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61 | -35 | 175.1 | -72.1 | 169.3 | 0 | 0 | 0 | 112.6 | F743 Q747 F755 I769 L773 L775 V780 F783 F784 | F743-L751 HydrophobicContact CD1-CD1 4Å; F743-L751 HydrophobicContact CE1-CD1 3.85Å; F743-L751 HydrophobicContact CZ-CD1 4.34Å; Q747-L751 VanDerWaalsContact O-CB 3.27Å; Q747-L751 WeakPolarHBondContact O-CB 3.37Å; Q747-L751 WeakPolarHBondContact O-CD1 3.26Å; Q747-L751 WeakPolarHBondContact O-CG 3.43Å; Q747-L751 PolarHBondContact O-N 3.08Å; L751-F755 VanDerWaalsContact O-CB 3.29Å; L751-F755 WeakPolarHBondContact O-CB 3.38Å; L751-F755 PolarHBondContact O-N 2.9Å; L751-I769 HydrophobicContact CD2-CG2 3.65Å; L751-L773 HydrophobicContact CD1-CD1 4.28Å; L751-L773 HydrophobicContact CD2-CD1 3.86Å; L751-L773 HydrophobicContact CG-CD1 3.66Å; L751-L775 HydrophobicContact CD1-CD1 3.99Å; L751-V780 HydrophobicContact CD2-CG1 4.17Å; L751-V780 HydrophobicContact CD2-CG2 4.48Å; L751-F783 HydrophobicContact CB-CD1 3.86Å; L751-F783 HydrophobicContact CB-CD2 4.13Å; L751-F783 HydrophobicContact CB-CE1 3.62Å; L751-F783 HydrophobicContact CB-CE2 3.88Å; L751-F783 HydrophobicContact CB-CG 4.13Å; L751-F783 HydrophobicContact CB-CZ 3.63Å; L751-F783 HydrophobicContact CD1-CB 4.31Å; L751-F783 HydrophobicContact CD1-CD1 4.43Å; L751-F783 HydrophobicContact CD1-CD2 3.92Å; L751-F783 HydrophobicContact CD1-CE2 4.39Å; L751-F783 HydrophobicContact CD1-CG 3.95Å; L751-F783 HydrophobicContact CD2-CD1 4.16Å; L751-F783 HydrophobicContact CD2-CG 4.37Å; L751-F783 HydrophobicContact CG-CD1 4.38Å; L751-F783 HydrophobicContact CG-CG 4.39Å; L751-F783 WeakPolarHBondContact O-CE1 3.33Å; L751-F784 HydrophobicContact CD2-CE2 3.94Å |
| 752 | Q | 96.7 | Very high | 96.6 | Very high | 99 Ų | 99 | 78.8 Ų | 78.8 | 46% | 0.463 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -72.1 | -36.2 | 174.5 | -78.1 | 174.4 | -19.2 | 0 | 0 | 113.4 | R748 R749 T750 F755 K756 F783 | R748-Q752 VanDerWaalsContact O-CB 3.31Å; R748-Q752 WeakPolarHBondContact O-CB 3.34Å; R748-Q752 WeakPolarHBondContact O-CG 3.34Å; R748-Q752 PolarHBondContact O-N 3.02Å; R749-Q752 PolarHBondContact O-N 3.22Å; T750-Q752 VanDerWaalsContact C-N 3.28Å; T750-Q752 PolarHBondContact O-N 3.33Å; Q752-F755 PolarHBondContact O-N 3.01Å; Q752-K756 PolarHBondContact O-N 2.86Å; Q752-K756 VanDerWaalsContact O-N 3.16Å; Q752-F783 HydrophobicContact CG-CZ 4.15Å |
| 753 | A | 96.8 | Very high | 96.7 | Very high | 44 Ų | 44 | 82.3 Ų | 82.3 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.7 | -51.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | R749 T750 F755 K756 E757 | R749-A753 WeakPolarHBondContact O-CB 3.43Å; R749-A753 PolarHBondContact O-N 3.27Å; T750-A753 PolarHBondContact O-N 3.15Å; A753-F755 PolarHBondContact O-N 3.11Å; A753-K756 WeakPolarHBondContact O-CA 3.31Å; A753-K756 VanDerWaalsContact O-CB 3.28Å; A753-K756 WeakPolarHBondContact O-CB 3.16Å; A753-K756 PolarHBondContact O-N 3.2Å; A753-E757 PolarHBondContact O-N 3.33Å |
| 754 | I | 97.1 | Very high | 96.7 | Very high | 20 Ų | 20 | 87.5 Ų | 87.5 | 10% | 0.103 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.1 | -34.7 | 176.2 | -57.9 | 155.9 | 0 | 0 | 0 | 110.9 | T750 K756 E757 T758 M765 I769 F784 | T750-I754 HydrophobicContact CG2-CD1 3.83Å; T750-I754 WeakPolarHBondContact O-CD1 3.38Å; T750-I754 WeakPolarHBondContact O-CG1 3.23Å; T750-I754 PolarHBondContact O-N 3.14Å; I754-K756 PolarHBondContact O-N 2.8Å; I754-E757 PolarHBondContact O-N 3.29Å; I754-T758 HydrophobicContact CG2-CG2 3.82Å; I754-T758 PolarHBondContact O-N 3.28Å; I754-T758 VanDerWaalsContact O-O 3.12Å; I754-M765 HydrophobicContact CG2-CE 3.95Å; I754-I769 HydrophobicContact CD1-CD1 3.92Å; I754-I769 HydrophobicContact CD1-CG1 3.84Å; I754-I769 HydrophobicContact CD1-CG2 4.1Å; I754-I769 HydrophobicContact CG2-CD1 3.87Å; I754-F784 HydrophobicContact CB-CZ 4.1Å; I754-F784 HydrophobicContact CG2-CE1 4.22Å; I754-F784 HydrophobicContact CG2-CZ 3.72Å |
| 755 | F | 96.9 | Very high | 96.7 | Very high | 33 Ų | 33 | 87.6 Ų | 87.6 | 15% | 0.145 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -71 | -13.9 | 173.4 | -173.7 | -106.4 | 0 | 0 | 0 | 114.3 | L751 Q752 A753 K759 F783 F784 A787 R788 | L751-F755 VanDerWaalsContact O-CB 3.29Å; L751-F755 WeakPolarHBondContact O-CB 3.38Å; L751-F755 PolarHBondContact O-N 2.9Å; Q752-F755 PolarHBondContact O-N 3.01Å; A753-F755 PolarHBondContact O-N 3.11Å; F755-K759 HydrophobicContact CD2-CD 4.35Å; F755-K759 HydrophobicContact CE1-CD 4.41Å; F755-K759 HydrophobicContact CE2-CB 4.16Å; F755-K759 HydrophobicContact CE2-CD 3.94Å; F755-K759 HydrophobicContact CZ-CD 3.98Å; F755-K759 WeakPolarHBondContact O-CD 3.2Å; F755-K759 PolarHBondContact O-NZ 2.96Å; F755-F783 HydrophobicContact CB-CE1 4.18Å; F755-F784 HydrophobicContact CB-CE1 3.98Å; F755-F784 AromaticContact CD2-CD1 3.81Å; F755-F784 HydrophobicContact CD2-CD1 3.81Å; F755-F784 HydrophobicContact CD2-CE1 4.05Å; F755-A787 HydrophobicContact CD1-CB 3.89Å; F755-A787 HydrophobicContact CD2-CB 3.74Å; F755-A787 HydrophobicContact CE1-CB 3.78Å; F755-A787 HydrophobicContact CE2-CB 3.62Å; F755-A787 HydrophobicContact CG-CB 3.87Å; F755-A787 HydrophobicContact CZ-CB 3.64Å; F755-R788 HydrophobicContact CE2-CG 3.87Å; F755-R788 HydrophobicContact CZ-CG 4.38Å |
| 756 | K | 95.1 | Very high | 96.7 | Very high | 165 Ų | 165 | 84.1 Ų | 84.1 | 72% | 0.717 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -74 | -51.7 | 165.9 | -69.7 | 179.2 | 176.8 | -173.8 | 0 | 110 | Q752 A753 I754 K759 | Q752-K756 PolarHBondContact O-N 2.86Å; Q752-K756 VanDerWaalsContact O-N 3.16Å; A753-K756 WeakPolarHBondContact O-CA 3.31Å; A753-K756 VanDerWaalsContact O-CB 3.28Å; A753-K756 WeakPolarHBondContact O-CB 3.16Å; A753-K756 PolarHBondContact O-N 3.2Å; I754-K756 PolarHBondContact O-N 2.8Å; K756-K759 PolarHBondContact O-NZ 3.45Å |
| 757 | E | 95.5 | Very high | 96.8 | Very high | 149 Ų | 149 | 82 Ų | 82 | 70% | 0.696 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.2 | -56.1 | -179.1 | -65.8 | 154.5 | -163.1 | 0 | 0 | 112.6 | A753 I754 | A753-E757 PolarHBondContact O-N 3.33Å; I754-E757 PolarHBondContact O-N 3.29Å |
| 758 | T | 94.7 | Very high | 96.8 | Very high | 36 Ų | 36 | 84.5 Ų | 84.5 | 22% | 0.221 | 40% | 0.403 | C | S | . | . | trans | -127.8 | 122 | 178.5 | 177.8 | 0 | 0 | 0 | 0 | 112.9 | I754 R760 P761 M765 | I754-T758 HydrophobicContact CG2-CG2 3.82Å; I754-T758 PolarHBondContact O-N 3.28Å; I754-T758 VanDerWaalsContact O-O 3.12Å; T758-R760 PolarHBondContact O-N 3.26Å; T758-R760 VanDerWaalsContact OG1-C 3.31Å; T758-R760 PolarHBondContact OG1-N 2.83Å; T758-P761 HydrophobicContact CG2-CB 4.05Å; T758-M765 HydrophobicContact CG2-CE 3.89Å; T758-M765 HydrophobicContact CG2-SD 3.93Å | ||
| 759 | K | 95.5 | Very high | 96.8 | Very high | 99 Ų | 99 | 80.9 Ų | 80.9 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -74.4 | -18.4 | 173.3 | -45.7 | -56 | 166.1 | -164.6 | 0 | 112 | F755 K756 R788 | F755-K759 HydrophobicContact CD2-CD 4.35Å; F755-K759 HydrophobicContact CE1-CD 4.41Å; F755-K759 HydrophobicContact CE2-CB 4.16Å; F755-K759 HydrophobicContact CE2-CD 3.94Å; F755-K759 HydrophobicContact CZ-CD 3.98Å; F755-K759 WeakPolarHBondContact O-CD 3.2Å; F755-K759 PolarHBondContact O-NZ 2.96Å; K756-K759 PolarHBondContact O-NZ 3.45Å; K759-R788 VanDerWaalsContact O-CD 3.23Å; K759-R788 WeakPolarHBondContact O-CD 3.49Å; K759-R788 WeakPolarHBondContact O-CG 3.27Å; K759-R788 PolarHBondContact O-NH1 3.32Å |
| 760 | R | 96.4 | Very high | 96.8 | Very high | 193 Ų | 193 | 73.6 Ų | 73.6 | 73% | 0.728 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -143.3 | 66.3 | -169.5 | -59.6 | -175.1 | 78.2 | 119.7 | -0.7 | 111 | T758 | T758-R760 PolarHBondContact O-N 3.26Å; T758-R760 VanDerWaalsContact OG1-C 3.31Å; T758-R760 PolarHBondContact OG1-N 2.83Å |
| 761 | P | 96.7 | Very high | 96.8 | Very high | 8 Ų | 8 | 79.2 Ų | 79.2 | 5% | 0.052 | 39% | 0.386 | C | S | . | . | trans | -57.9 | 149.1 | 174.1 | 26.4 | -36.5 | 0 | 0 | 0 | 111.6 | T758 M765 Q766 I769 F784 | T758-P761 HydrophobicContact CG2-CB 4.05Å; P761-M765 HydrophobicContact CB-CB 4.13Å; P761-M765 HydrophobicContact CB-CG 4.04Å; P761-M765 HydrophobicContact CB-SD 3.56Å; P761-M765 VanDerWaalsContact CB-SD 3.56Å; P761-Q766 HydrophobicContact CB-CG 4.05Å; P761-Q766 HydrophobicContact CG-CG 3.72Å; P761-Q766 PolarHBondContact O-NE2 3.49Å; P761-I769 HydrophobicContact CB-CD1 4.45Å; P761-F784 VanDerWaalsContact CD-CD1 3.49Å; P761-F784 HydrophobicContact CG-CD1 3.67Å; P761-F784 HydrophobicContact CG-CD2 3.83Å; P761-F784 HydrophobicContact CG-CE1 3.71Å; P761-F784 HydrophobicContact CG-CE2 3.88Å; P761-F784 HydrophobicContact CG-CG 3.75Å; P761-F784 HydrophobicContact CG-CZ 3.84Å | ||
| 762 | S | 97.1 | Very high | 96.7 | Very high | 63 Ų | 63 | 86.9 Ų | 86.9 | 44% | 0.441 | 42% | 0.422 | S | S | . | . | trans | -65.2 | 169.2 | 177.1 | 68.8 | 0 | 0 | 0 | 0 | 112.3 | E764 M765 Q766 | S762-E764 VanDerWaalsContact C-N 3.3Å; S762-E764 PolarHBondContact O-N 3.03Å; S762-M765 PolarHBondContact O-N 3.37Å; S762-M765 VanDerWaalsContact OG-CB 3.31Å; S762-M765 WeakPolarHBondContact OG-CB 3.26Å; S762-M765 PolarHBondContact OG-N 3.03Å; S762-Q766 WeakPolarHBondContact O-CB 3.37Å; S762-Q766 VanDerWaalsContact O-CG 3.23Å; S762-Q766 WeakPolarHBondContact O-CG 3.26Å; S762-Q766 PolarHBondContact O-N 3.08Å; S762-Q766 PolarHBondContact O-NE2 2.76Å; S762-Q766 VanDerWaalsContact O-NE2 3.15Å | ||
| 763 | K | 96.5 | Very high | 96.7 | Very high | 184 Ų | 184 | 83.3 Ų | 83.3 | 80% | 0.8 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.7 | -42.5 | 175 | -174.5 | -175.4 | 176.4 | -171.3 | 0 | 110.8 | Q766 S767 | K763-Q766 PolarHBondContact O-N 2.89Å; K763-S767 PolarHBondContact O-N 2.92Å; K763-S767 VanDerWaalsContact O-N 3.08Å |
| 764 | E | 97.2 | Very high | 96.7 | Very high | 153 Ų | 153 | 84.3 Ų | 84.3 | 72% | 0.715 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.2 | -54.4 | 174.1 | -179.1 | -175 | -162.9 | 0 | 0 | 111.8 | S762 Q766 S767 T768 | S762-E764 VanDerWaalsContact C-N 3.3Å; S762-E764 PolarHBondContact O-N 3.03Å; E764-Q766 VanDerWaalsContact C-N 3.26Å; E764-Q766 PolarHBondContact O-N 3.5Å; E764-S767 CarbonylContact O-C 3.22Å; E764-S767 VanDerWaalsContact O-CA 3.29Å; E764-S767 WeakPolarHBondContact O-CA 3.14Å; E764-S767 WeakPolarHBondContact O-CB 3.33Å; E764-S767 PolarHBondContact O-N 2.74Å; E764-T768 PolarHBondContact O-N 3.43Å; E764-T768 PolarHBondContact O-OG1 3.31Å |
| 765 | M | 97.1 | Very high | 96.7 | Very high | 71 Ų | 71 | 84.4 Ų | 84.4 | 35% | 0.35 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.9 | -37.8 | 179.5 | -171.2 | -173.4 | -171.3 | 0 | 0 | 111.6 | I754 T758 P761 S762 S767 T768 I769 | I754-M765 HydrophobicContact CG2-CE 3.95Å; T758-M765 HydrophobicContact CG2-CE 3.89Å; T758-M765 HydrophobicContact CG2-SD 3.93Å; P761-M765 HydrophobicContact CB-CB 4.13Å; P761-M765 HydrophobicContact CB-CG 4.04Å; P761-M765 HydrophobicContact CB-SD 3.56Å; P761-M765 VanDerWaalsContact CB-SD 3.56Å; S762-M765 PolarHBondContact O-N 3.37Å; S762-M765 VanDerWaalsContact OG-CB 3.31Å; S762-M765 WeakPolarHBondContact OG-CB 3.26Å; S762-M765 PolarHBondContact OG-N 3.03Å; M765-S767 VanDerWaalsContact C-N 3.26Å; M765-S767 PolarHBondContact O-N 3.17Å; M765-T768 PolarHBondContact O-N 2.75Å; M765-I769 HydrophobicContact CE-CD1 4.39Å; M765-I769 HydrophobicContact CG-CD1 3.87Å; M765-I769 HydrophobicContact CG-CG1 4.45Å; M765-I769 WeakPolarHBondContact O-CB 3.45Å; M765-I769 VanDerWaalsContact O-CD1 3.29Å; M765-I769 WeakPolarHBondContact O-CD1 3.3Å; M765-I769 WeakPolarHBondContact O-CG1 3.19Å; M765-I769 PolarHBondContact O-N 3Å |
| 766 | Q | 97.6 | Very high | 96.7 | Very high | 30 Ų | 30 | 89.1 Ų | 89.1 | 14% | 0.14 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.9 | -31.8 | 172.2 | -73.5 | 171 | 73.6 | 0 | 0 | 112.7 | P761 S762 K763 E764 A770 V777 V780 | P761-Q766 HydrophobicContact CB-CG 4.05Å; P761-Q766 HydrophobicContact CG-CG 3.72Å; P761-Q766 PolarHBondContact O-NE2 3.49Å; S762-Q766 WeakPolarHBondContact O-CB 3.37Å; S762-Q766 VanDerWaalsContact O-CG 3.23Å; S762-Q766 WeakPolarHBondContact O-CG 3.26Å; S762-Q766 PolarHBondContact O-N 3.08Å; S762-Q766 PolarHBondContact O-NE2 2.76Å; S762-Q766 VanDerWaalsContact O-NE2 3.15Å; K763-Q766 PolarHBondContact O-N 2.89Å; E764-Q766 VanDerWaalsContact C-N 3.26Å; E764-Q766 PolarHBondContact O-N 3.5Å; Q766-A770 WeakPolarHBondContact O-CB 3.35Å; Q766-A770 PolarHBondContact O-N 2.89Å; Q766-V777 HydrophobicContact CB-CG1 4.22Å; Q766-V780 HydrophobicContact CB-CG1 4.21Å; Q766-V780 HydrophobicContact CG-CG1 4.23Å |
| 767 | S | 97.8 | Very high | 96.8 | Very high | 56 Ų | 56 | 84 Ų | 84 | 39% | 0.392 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.8 | -47.2 | 173 | -155.2 | 0 | 0 | 0 | 0 | 111.7 | K763 E764 M765 I769 A770 Q771 | K763-S767 PolarHBondContact O-N 2.92Å; K763-S767 VanDerWaalsContact O-N 3.08Å; E764-S767 CarbonylContact O-C 3.22Å; E764-S767 VanDerWaalsContact O-CA 3.29Å; E764-S767 WeakPolarHBondContact O-CA 3.14Å; E764-S767 WeakPolarHBondContact O-CB 3.33Å; E764-S767 PolarHBondContact O-N 2.74Å; M765-S767 VanDerWaalsContact C-N 3.26Å; M765-S767 PolarHBondContact O-N 3.17Å; S767-I769 VanDerWaalsContact C-N 3.32Å; S767-I769 PolarHBondContact O-N 3.43Å; S767-A770 WeakPolarHBondContact O-CB 3.19Å; S767-A770 PolarHBondContact O-N 2.93Å; S767-A770 VanDerWaalsContact O-N 3.11Å; S767-Q771 PolarHBondContact O-N 2.94Å |
| 768 | T | 97.4 | Very high | 96.9 | Very high | 79 Ų | 79 | 79.9 Ų | 79.9 | 49% | 0.485 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 175.2 | -40.4 | 0 | 0 | 0 | 0 | 111.5 | E764 M765 A770 Q771 Q772 | E764-T768 PolarHBondContact O-N 3.43Å; E764-T768 PolarHBondContact O-OG1 3.31Å; M765-T768 PolarHBondContact O-N 2.75Å; T768-A770 VanDerWaalsContact C-N 3.34Å; T768-A770 PolarHBondContact O-N 2.91Å; T768-Q771 PolarHBondContact O-N 3.31Å; T768-Q772 VanDerWaalsContact O-CB 3.22Å; T768-Q772 WeakPolarHBondContact O-CB 3.42Å; T768-Q772 PolarHBondContact O-N 3.15Å |
| 769 | I | 97.3 | Very high | 97 | Very high | 13 Ų | 13 | 79.4 Ų | 79.4 | 7% | 0.067 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 176.7 | -65.9 | 162.4 | 0 | 0 | 0 | 111.2 | L751 I754 P761 M765 S767 L773 V780 F784 | L751-I769 HydrophobicContact CD2-CG2 3.65Å; I754-I769 HydrophobicContact CD1-CD1 3.92Å; I754-I769 HydrophobicContact CD1-CG1 3.84Å; I754-I769 HydrophobicContact CD1-CG2 4.1Å; I754-I769 HydrophobicContact CG2-CD1 3.87Å; P761-I769 HydrophobicContact CB-CD1 4.45Å; M765-I769 HydrophobicContact CE-CD1 4.39Å; M765-I769 HydrophobicContact CG-CD1 3.87Å; M765-I769 HydrophobicContact CG-CG1 4.45Å; M765-I769 WeakPolarHBondContact O-CB 3.45Å; M765-I769 VanDerWaalsContact O-CD1 3.29Å; M765-I769 WeakPolarHBondContact O-CD1 3.3Å; M765-I769 WeakPolarHBondContact O-CG1 3.19Å; M765-I769 PolarHBondContact O-N 3Å; S767-I769 VanDerWaalsContact C-N 3.32Å; S767-I769 PolarHBondContact O-N 3.43Å; I769-L773 HydrophobicContact CG2-CD1 3.83Å; I769-L773 VanDerWaalsContact O-CB 3.24Å; I769-L773 WeakPolarHBondContact O-CB 3.3Å; I769-L773 VanDerWaalsContact O-CG 3.3Å; I769-L773 WeakPolarHBondContact O-CG 3.5Å; I769-L773 PolarHBondContact O-N 3.1Å; I769-V780 HydrophobicContact CB-CG1 4.17Å; I769-V780 HydrophobicContact CG2-CG1 3.79Å; I769-V780 HydrophobicContact CG2-CG2 4.19Å; I769-F784 HydrophobicContact CD1-CE2 4.28Å; I769-F784 HydrophobicContact CD1-CZ 4.37Å |
| 770 | A | 97.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 74.7 Ų | 74.7 | 3% | 0.025 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.3 | -50.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q766 S767 T768 L773 G774 L775 V777 V780 | Q766-A770 WeakPolarHBondContact O-CB 3.35Å; Q766-A770 PolarHBondContact O-N 2.89Å; S767-A770 WeakPolarHBondContact O-CB 3.19Å; S767-A770 PolarHBondContact O-N 2.93Å; S767-A770 VanDerWaalsContact O-N 3.11Å; T768-A770 VanDerWaalsContact C-N 3.34Å; T768-A770 PolarHBondContact O-N 2.91Å; A770-L773 PolarHBondContact O-N 2.69Å; A770-G774 PolarHBondContact O-N 3.25Å; A770-G774 VanDerWaalsContact O-N 3.11Å; A770-L775 CarbonylContact C-O 3.54Å; A770-L775 VanDerWaalsContact CB-O 3.31Å; A770-L775 WeakPolarHBondContact CB-O 3.31Å; A770-L775 PolarHBondContact O-N 2.88Å; A770-V777 HydrophobicContact CB-CB 4.34Å; A770-V777 HydrophobicContact CB-CG2 3.91Å; A770-V780 HydrophobicContact CB-CG2 3.77Å |
| 771 | Q | 97.1 | Very high | 97.2 | Very high | 165 Ų | 165 | 66.6 Ų | 66.6 | 77% | 0.771 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.9 | -51.1 | 176 | -170 | 178.9 | 21.3 | 0 | 0 | 111.7 | S767 T768 L773 G774 | S767-Q771 PolarHBondContact O-N 2.94Å; T768-Q771 PolarHBondContact O-N 3.31Å; Q771-L773 PolarHBondContact O-N 2.92Å; Q771-L773 VanDerWaalsContact O-N 3.14Å; Q771-G774 PolarHBondContact O-N 3.34Å |
| 772 | Q | 96.8 | Very high | 97.2 | Very high | 161 Ų | 161 | 70 Ų | 70 | 75% | 0.752 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.5 | -19.4 | -177.9 | -170.5 | 62 | 17.3 | 0 | 0 | 113.9 | T768 | T768-Q772 VanDerWaalsContact O-CB 3.22Å; T768-Q772 WeakPolarHBondContact O-CB 3.42Å; T768-Q772 PolarHBondContact O-N 3.15Å |
| 773 | L | 97 | Very high | 97.2 | Very high | 24 Ų | 24 | 68.4 Ų | 68.4 | 13% | 0.126 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -109.4 | -1.4 | -178.3 | -69.3 | -176.2 | 0 | 0 | 0 | 114.7 | Q747 T750 L751 I769 A770 Q771 L775 | Q747-L773 HydrophobicContact CG-CB 4.23Å; Q747-L773 HydrophobicContact CG-CD2 4.4Å; Q747-L773 PolarHBondContact NE2-O 2.83Å; T750-L773 HydrophobicContact CG2-CD1 4.33Å; T750-L773 HydrophobicContact CG2-CD2 4.01Å; L751-L773 HydrophobicContact CD1-CD1 4.28Å; L751-L773 HydrophobicContact CD2-CD1 3.86Å; L751-L773 HydrophobicContact CG-CD1 3.66Å; I769-L773 HydrophobicContact CG2-CD1 3.83Å; I769-L773 VanDerWaalsContact O-CB 3.24Å; I769-L773 WeakPolarHBondContact O-CB 3.3Å; I769-L773 VanDerWaalsContact O-CG 3.3Å; I769-L773 WeakPolarHBondContact O-CG 3.5Å; I769-L773 PolarHBondContact O-N 3.1Å; A770-L773 PolarHBondContact O-N 2.69Å; Q771-L773 PolarHBondContact O-N 2.92Å; Q771-L773 VanDerWaalsContact O-N 3.14Å; L773-L775 HydrophobicContact CB-CD1 3.86Å; L773-L775 HydrophobicContact CB-CG 4.07Å; L773-L775 HydrophobicContact CD1-CD1 4.17Å |
| 774 | G | 96.6 | Very high | 97.3 | Very high | 66 Ų | 66 | 59.6 Ų | 59.6 | 68% | 0.68 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 43.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A770 Q771 | A770-G774 PolarHBondContact O-N 3.25Å; A770-G774 VanDerWaalsContact O-N 3.11Å; Q771-G774 PolarHBondContact O-N 3.34Å |
| 775 | L | 97.1 | Very high | 97.2 | Very high | 21 Ų | 21 | 56.6 Ų | 56.6 | 11% | 0.11 | 32% | 0.316 | C | S | . | . | trans | -124.9 | 158.1 | -178.9 | -68.6 | 173.7 | 0 | 0 | 0 | 110.3 | L741 F743 Q747 L751 A770 L773 T779 V780 | L741-L775 HydrophobicContact CD1-CD2 4.33Å; L741-L775 HydrophobicContact CD2-CD2 4.41Å; F743-L775 HydrophobicContact CD1-CD1 4.06Å; F743-L775 HydrophobicContact CD1-CD2 4.23Å; F743-L775 HydrophobicContact CE1-CD1 3.86Å; F743-L775 HydrophobicContact CE1-CD2 4.16Å; Q747-L775 HydrophobicContact CB-CD1 4.41Å; Q747-L775 HydrophobicContact CG-CD1 4.24Å; Q747-L775 HydrophobicContact CG-CG 4.48Å; L751-L775 HydrophobicContact CD1-CD1 3.99Å; A770-L775 CarbonylContact C-O 3.54Å; A770-L775 VanDerWaalsContact CB-O 3.31Å; A770-L775 WeakPolarHBondContact CB-O 3.31Å; A770-L775 PolarHBondContact O-N 2.88Å; L773-L775 HydrophobicContact CB-CD1 3.86Å; L773-L775 HydrophobicContact CB-CG 4.07Å; L773-L775 HydrophobicContact CD1-CD1 4.17Å; L775-T779 HydrophobicContact CD2-CG2 4.21Å; L775-V780 HydrophobicContact CB-CG2 4.08Å; L775-V780 HydrophobicContact CD1-CG2 4.23Å | ||
| 776 | Q | 96.6 | Very high | 97.1 | Very high | 133 Ų | 133 | 55.7 Ų | 55.7 | 62% | 0.621 | 31% | 0.313 | S | S | * | . | trans | -75 | 145.8 | 168.2 | -66.3 | -179.5 | -18.8 | 0 | 0 | 111.1 | S778 T779 V780 | Q776-S778 WeakPolarHBondContact CB-OG 3.43Å; Q776-S778 PolarHBondContact O-N 3.01Å; Q776-S778 PolarHBondContact OE1-OG 3.48Å; Q776-T779 WeakPolarHBondContact O-CA 3.46Å; Q776-T779 WeakPolarHBondContact O-CB 3.38Å; Q776-T779 PolarHBondContact O-N 2.91Å; Q776-V780 PolarHBondContact O-N 3.06Å | ||
| 777 | V | 97.4 | Very high | 96.9 | Very high | 58 Ų | 58 | 55 Ų | 55 | 35% | 0.352 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -56 | -39.5 | 174.8 | -166.6 | 0 | 0 | 0 | 0 | 111.2 | Q766 A770 T779 V780 A781 | Q766-V777 HydrophobicContact CB-CG1 4.22Å; A770-V777 HydrophobicContact CB-CB 4.34Å; A770-V777 HydrophobicContact CB-CG2 3.91Å; V777-T779 VanDerWaalsContact C-N 3.27Å; V777-T779 PolarHBondContact O-N 3.26Å; V777-V780 PolarHBondContact O-N 2.87Å; V777-A781 WeakPolarHBondContact O-CB 3.41Å; V777-A781 PolarHBondContact O-N 3.34Å |
| 778 | S | 97.1 | Very high | 96.8 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 43% | 0.427 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.8 | -37.1 | 172.4 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | Q776 N782 | Q776-S778 WeakPolarHBondContact CB-OG 3.43Å; Q776-S778 PolarHBondContact O-N 3.01Å; Q776-S778 PolarHBondContact OE1-OG 3.48Å; S778-N782 VanDerWaalsContact O-CB 3.29Å; S778-N782 WeakPolarHBondContact O-CB 3.39Å; S778-N782 PolarHBondContact O-N 3.05Å; S778-N782 PolarHBondContact O-ND2 2.86Å |
| 779 | T | 97.3 | Very high | 96.4 | Very high | 26 Ų | 26 | 59.2 Ų | 59.2 | 16% | 0.16 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -75.9 | -38.6 | 179.7 | -68.8 | 0 | 0 | 0 | 0 | 111.2 | L741 F743 L775 Q776 V777 N782 F783 | L741-T779 HydrophobicContact CD1-CG2 4.16Å; L741-T779 HydrophobicContact CD2-CG2 4.14Å; F743-T779 HydrophobicContact CE1-CG2 3.63Å; F743-T779 HydrophobicContact CZ-CG2 3.81Å; L775-T779 HydrophobicContact CD2-CG2 4.21Å; Q776-T779 WeakPolarHBondContact O-CA 3.46Å; Q776-T779 WeakPolarHBondContact O-CB 3.38Å; Q776-T779 PolarHBondContact O-N 2.91Å; V777-T779 VanDerWaalsContact C-N 3.27Å; V777-T779 PolarHBondContact O-N 3.26Å; T779-N782 PolarHBondContact O-N 3.46Å; T779-F783 PolarHBondContact O-N 3.49Å |
| 780 | V | 98 | Very high | 96 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.2 | -48.6 | 172.4 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | L751 Q766 I769 A770 L775 Q776 V777 N782 F783 F784 | L751-V780 HydrophobicContact CD2-CG1 4.17Å; L751-V780 HydrophobicContact CD2-CG2 4.48Å; Q766-V780 HydrophobicContact CB-CG1 4.21Å; Q766-V780 HydrophobicContact CG-CG1 4.23Å; I769-V780 HydrophobicContact CB-CG1 4.17Å; I769-V780 HydrophobicContact CG2-CG1 3.79Å; I769-V780 HydrophobicContact CG2-CG2 4.19Å; A770-V780 HydrophobicContact CB-CG2 3.77Å; L775-V780 HydrophobicContact CB-CG2 4.08Å; L775-V780 HydrophobicContact CD1-CG2 4.23Å; Q776-V780 PolarHBondContact O-N 3.06Å; V777-V780 PolarHBondContact O-N 2.87Å; V780-N782 VanDerWaalsContact C-N 3.28Å; V780-N782 PolarHBondContact O-N 2.98Å; V780-F783 WeakPolarHBondContact O-CA 3.22Å; V780-F783 WeakPolarHBondContact O-CB 3.11Å; V780-F783 PolarHBondContact O-N 3.28Å; V780-F784 HydrophobicContact CG1-CD2 3.8Å; V780-F784 HydrophobicContact CG1-CE2 3.73Å; V780-F784 WeakPolarHBondContact O-CD2 3.46Å; V780-F784 PolarHBondContact O-N 3.39Å |
| 781 | A | 97.6 | Very high | 95.5 | Very high | 24 Ų | 24 | 67.8 Ų | 67.8 | 20% | 0.198 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.9 | -44.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V777 F784 M785 | V777-A781 WeakPolarHBondContact O-CB 3.41Å; V777-A781 PolarHBondContact O-N 3.34Å; A781-F784 PolarHBondContact O-N 3.39Å; A781-M785 WeakPolarHBondContact O-CB 3.46Å; A781-M785 WeakPolarHBondContact O-CG 3.45Å; A781-M785 PolarHBondContact O-N 3.28Å |
| 782 | N | 97 | Very high | 93.9 | Very high | 79 Ų | 79 | 64.5 Ų | 64.5 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 173.3 | -88.3 | -64.4 | 0 | 0 | 0 | 112.8 | S778 T779 V780 N786 | S778-N782 VanDerWaalsContact O-CB 3.29Å; S778-N782 WeakPolarHBondContact O-CB 3.39Å; S778-N782 PolarHBondContact O-N 3.05Å; S778-N782 PolarHBondContact O-ND2 2.86Å; T779-N782 PolarHBondContact O-N 3.46Å; V780-N782 VanDerWaalsContact C-N 3.28Å; V780-N782 PolarHBondContact O-N 2.98Å; N782-N786 VanDerWaalsContact O-CB 3.31Å; N782-N786 WeakPolarHBondContact O-CB 3.49Å; N782-N786 PolarHBondContact O-N 2.88Å; N782-N786 PolarHBondContact O-ND2 2.92Å |
| 783 | F | 97.9 | Very high | 92.1 | Very high | 29 Ų | 29 | 61.9 Ų | 61.9 | 13% | 0.127 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.8 | -53.7 | 172.9 | 175.3 | -85.5 | 0 | 0 | 0 | 110.7 | F743 L751 Q752 F755 T779 V780 M785 N786 A787 | F743-F783 HydrophobicContact CE2-CD2 4.01Å; F743-F783 HydrophobicContact CZ-CB 4.15Å; F743-F783 HydrophobicContact CZ-CD2 4.26Å; L751-F783 HydrophobicContact CB-CD1 3.86Å; L751-F783 HydrophobicContact CB-CD2 4.13Å; L751-F783 HydrophobicContact CB-CE1 3.62Å; L751-F783 HydrophobicContact CB-CE2 3.88Å; L751-F783 HydrophobicContact CB-CG 4.13Å; L751-F783 HydrophobicContact CB-CZ 3.63Å; L751-F783 HydrophobicContact CD1-CB 4.31Å; L751-F783 HydrophobicContact CD1-CD1 4.43Å; L751-F783 HydrophobicContact CD1-CD2 3.92Å; L751-F783 HydrophobicContact CD1-CE2 4.39Å; L751-F783 HydrophobicContact CD1-CG 3.95Å; L751-F783 HydrophobicContact CD2-CD1 4.16Å; L751-F783 HydrophobicContact CD2-CG 4.37Å; L751-F783 HydrophobicContact CG-CD1 4.38Å; L751-F783 HydrophobicContact CG-CG 4.39Å; L751-F783 WeakPolarHBondContact O-CE1 3.33Å; Q752-F783 HydrophobicContact CG-CZ 4.15Å; F755-F783 HydrophobicContact CB-CE1 4.18Å; T779-F783 PolarHBondContact O-N 3.49Å; V780-F783 WeakPolarHBondContact O-CA 3.22Å; V780-F783 WeakPolarHBondContact O-CB 3.11Å; V780-F783 PolarHBondContact O-N 3.28Å; F783-M785 VanDerWaalsContact C-N 3.34Å; F783-M785 PolarHBondContact O-N 2.86Å; F783-N786 PolarHBondContact O-N 3.06Å; F783-N786 VanDerWaalsContact O-N 3.07Å; F783-A787 HydrophobicContact CE1-CB 4.15Å; F783-A787 WeakPolarHBondContact O-CB 3.34Å; F783-A787 PolarHBondContact O-N 3.41Å |
| 784 | F | 97.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.6 | -36.2 | -177.7 | -78.9 | -83.4 | 0 | 0 | 0 | 112.6 | L751 I754 F755 P761 I769 V780 A781 R788 | L751-F784 HydrophobicContact CD2-CE2 3.94Å; I754-F784 HydrophobicContact CB-CZ 4.1Å; I754-F784 HydrophobicContact CG2-CE1 4.22Å; I754-F784 HydrophobicContact CG2-CZ 3.72Å; F755-F784 HydrophobicContact CB-CE1 3.98Å; F755-F784 AromaticContact CD2-CD1 3.81Å; F755-F784 HydrophobicContact CD2-CD1 3.81Å; F755-F784 HydrophobicContact CD2-CE1 4.05Å; P761-F784 VanDerWaalsContact CD-CD1 3.49Å; P761-F784 HydrophobicContact CG-CD1 3.67Å; P761-F784 HydrophobicContact CG-CD2 3.83Å; P761-F784 HydrophobicContact CG-CE1 3.71Å; P761-F784 HydrophobicContact CG-CE2 3.88Å; P761-F784 HydrophobicContact CG-CG 3.75Å; P761-F784 HydrophobicContact CG-CZ 3.84Å; I769-F784 HydrophobicContact CD1-CE2 4.28Å; I769-F784 HydrophobicContact CD1-CZ 4.37Å; V780-F784 HydrophobicContact CG1-CD2 3.8Å; V780-F784 HydrophobicContact CG1-CE2 3.73Å; V780-F784 WeakPolarHBondContact O-CD2 3.46Å; V780-F784 PolarHBondContact O-N 3.39Å; A781-F784 PolarHBondContact O-N 3.39Å; F784-R788 WeakPolarHBondContact O-CB 3.45Å; F784-R788 WeakPolarHBondContact O-CG 3.37Å; F784-R788 PolarHBondContact O-N 3.35Å |
| 785 | M | 95 | Very high | 88.6 | Confident | 89 Ų | 89 | 66.4 Ų | 66.4 | 44% | 0.438 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 170.1 | -75.6 | -162.9 | -70.5 | 0 | 0 | 112.9 | A781 F783 R789 | A781-M785 WeakPolarHBondContact O-CB 3.46Å; A781-M785 WeakPolarHBondContact O-CG 3.45Å; A781-M785 PolarHBondContact O-N 3.28Å; F783-M785 VanDerWaalsContact C-N 3.34Å; F783-M785 PolarHBondContact O-N 2.86Å; M785-R789 WeakPolarHBondContact O-CB 3.21Å; M785-R789 PolarHBondContact O-N 3.38Å |
| 786 | N | 94.7 | Very high | 86.6 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 177.6 | -80.2 | -63.8 | 0 | 0 | 0 | 112 | N782 F783 R789 R790 | N782-N786 VanDerWaalsContact O-CB 3.31Å; N782-N786 WeakPolarHBondContact O-CB 3.49Å; N782-N786 PolarHBondContact O-N 2.88Å; N782-N786 PolarHBondContact O-ND2 2.92Å; F783-N786 PolarHBondContact O-N 3.06Å; F783-N786 VanDerWaalsContact O-N 3.07Å; N786-R789 PolarHBondContact O-N 3.15Å; N786-R789 VanDerWaalsContact OD1-CZ 3.29Å; N786-R789 PolarHBondContact OD1-NH1 3.15Å; N786-R789 PolarHBondContact OD1-NH2 3.14Å; N786-R790 WeakPolarHBondContact O-CB 3.48Å; N786-R790 WeakPolarHBondContact O-CG 3.28Å; N786-R790 PolarHBondContact O-N 2.86Å |
| 787 | A | 95.1 | Very high | 84.3 | Confident | 15 Ų | 15 | 70.6 Ų | 70.6 | 12% | 0.124 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.1 | -51.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F755 F783 R789 R790 S791 | F755-A787 HydrophobicContact CD1-CB 3.89Å; F755-A787 HydrophobicContact CD2-CB 3.74Å; F755-A787 HydrophobicContact CE1-CB 3.78Å; F755-A787 HydrophobicContact CE2-CB 3.62Å; F755-A787 HydrophobicContact CG-CB 3.87Å; F755-A787 HydrophobicContact CZ-CB 3.64Å; F783-A787 HydrophobicContact CE1-CB 4.15Å; F783-A787 WeakPolarHBondContact O-CB 3.34Å; F783-A787 PolarHBondContact O-N 3.41Å; A787-R789 PolarHBondContact O-N 3.36Å; A787-R789 VanDerWaalsContact O-N 3.11Å; A787-R790 PolarHBondContact O-N 3.37Å; A787-S791 PolarHBondContact O-N 3.26Å |
| 788 | R | 94.5 | Very high | 82 | Confident | 70 Ų | 70 | 72.9 Ų | 72.9 | 26% | 0.264 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.9 | -24.1 | 173.8 | -73.3 | -168 | -65.8 | -90.7 | 3.8 | 114.5 | F755 K759 F784 S791 | F755-R788 HydrophobicContact CE2-CG 3.87Å; F755-R788 HydrophobicContact CZ-CG 4.38Å; K759-R788 VanDerWaalsContact O-CD 3.23Å; K759-R788 WeakPolarHBondContact O-CD 3.49Å; K759-R788 WeakPolarHBondContact O-CG 3.27Å; K759-R788 PolarHBondContact O-NH1 3.32Å; F784-R788 WeakPolarHBondContact O-CB 3.45Å; F784-R788 WeakPolarHBondContact O-CG 3.37Å; F784-R788 PolarHBondContact O-N 3.35Å; R788-S791 PolarHBondContact O-OG 3.15Å |
| 789 | R | 89.7 | Confident | 79.8 | Confident | 154 Ų | 154 | 74.4 Ų | 74.4 | 58% | 0.581 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -86.1 | -17.1 | 177.1 | -151 | -164 | -46.2 | 103.1 | 1.9 | 113.3 | M785 N786 A787 | M785-R789 WeakPolarHBondContact O-CB 3.21Å; M785-R789 PolarHBondContact O-N 3.38Å; N786-R789 PolarHBondContact O-N 3.15Å; N786-R789 VanDerWaalsContact OD1-CZ 3.29Å; N786-R789 PolarHBondContact OD1-NH1 3.15Å; N786-R789 PolarHBondContact OD1-NH2 3.14Å; A787-R789 PolarHBondContact O-N 3.36Å; A787-R789 VanDerWaalsContact O-N 3.11Å |
| 790 | R | 88.8 | Confident | 77.3 | Confident | 171 Ų | 171 | 76.4 Ų | 76.4 | 65% | 0.645 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -116.1 | -12.9 | -172.3 | -73.9 | 177.5 | 165.9 | 173.3 | -5.5 | 114.3 | N786 A787 L792 | N786-R790 WeakPolarHBondContact O-CB 3.48Å; N786-R790 WeakPolarHBondContact O-CG 3.28Å; N786-R790 PolarHBondContact O-N 2.86Å; A787-R790 PolarHBondContact O-N 3.37Å; R790-L792 PolarHBondContact O-N 2.88Å |
| 791 | S | 86.3 | Confident | 74.8 | Confident | 25 Ų | 25 | 84.2 Ų | 84.2 | 18% | 0.175 | 41% | 0.407 | C | S | . | . | trans | -54.1 | 117.6 | 170.2 | 49.9 | 0 | 0 | 0 | 0 | 110.4 | A787 R788 D793 | A787-S791 PolarHBondContact O-N 3.26Å; R788-S791 PolarHBondContact O-OG 3.15Å; S791-D793 PolarHBondContact O-N 2.87Å | ||
| 792 | L | 63.8 | Low | 72.4 | Confident | 96 Ų | 96 | 89.3 Ų | 89.3 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -70.4 | -33.8 | -167 | -177 | 62.8 | 0 | 0 | 0 | 112.7 | R790 K794 W795 | R790-L792 PolarHBondContact O-N 2.88Å; L792-K794 PolarHBondContact O-N 2.96Å; L792-W795 PolarHBondContact O-N 3.06Å |
| 793 | D | 58.8 | Low | 70 | Confident | 107 Ų | 107 | 89.4 Ų | 89.4 | 57% | 0.572 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -41.3 | -41.9 | 179.9 | -22.2 | -48.9 | 0 | 0 | 0 | 112.3 | S791 W795 Q796 | S791-D793 PolarHBondContact O-N 2.87Å; D793-W795 PolarHBondContact O-N 3.36Å; D793-Q796 PolarHBondContact O-N 3.43Å |
| 794 | K | 59.9 | Low | 67.5 | Low | 102 Ų | 102 | 92.3 Ų | 92.3 | 44% | 0.443 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -56.9 | -13 | -172.1 | -60.9 | -145.7 | 90.4 | -38.9 | 0 | 116.8 | L792 | L792-K794 PolarHBondContact O-N 2.96Š|
| 795 | W | 61.1 | Low | 65 | Low | 83 Ų | 83 | 97.8 Ų | 97.8 | 31% | 0.314 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -133.9 | 14.3 | -176.3 | -44.8 | 119.4 | 0 | 0 | 0 | 114.5 | K675 P676 K679 L792 D793 | K675-W795 HydrophobicContact CD-CZ2 4.49Å; P676-W795 HydrophobicContact CG-CB 4.35Å; P676-W795 HydrophobicContact CG-CD2 3.95Å; P676-W795 HydrophobicContact CG-CE3 3.57Å; P676-W795 HydrophobicContact CG-CG 4.29Å; P676-W795 HydrophobicContact CG-CZ3 4.35Å; K679-W795 HydrophobicContact CB-CE3 4.38Å; K679-W795 HydrophobicContact CB-CH2 3.89Å; K679-W795 HydrophobicContact CB-CZ3 3.68Å; K679-W795 HydrophobicContact CD-CZ3 3.81Å; K679-W795 HydrophobicContact CG-CE3 3.96Å; K679-W795 HydrophobicContact CG-CH2 4.11Å; K679-W795 HydrophobicContact CG-CZ3 3.39Å; L792-W795 PolarHBondContact O-N 3.06Å; D793-W795 PolarHBondContact O-N 3.36Å |
| 796 | Q | 55.5 | Low | 62.9 | Low | 109 Ų | 109 | 99.8 Ų | 99.8 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -25.4 | 179.1 | -63.8 | -162.1 | 98.6 | 0 | 0 | 113.7 | D793 D798 T799 | D793-Q796 PolarHBondContact O-N 3.43Å; Q796-D798 VanDerWaalsContact C-N 3.27Å; Q796-D798 PolarHBondContact O-N 3.28Å; Q796-T799 PolarHBondContact O-N 3.31Å; Q796-T799 VanDerWaalsContact O-N 3.1Å; Q796-T799 PolarHBondContact O-OG1 2.9Å |
| 797 | E | 47.1 | Very low | 60.5 | Low | 133 Ų | 133 | 104 Ų | 104 | 62% | 0.621 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -56.6 | -34.2 | -173.4 | -63.1 | 165.2 | 140.6 | 0 | 0 | 113.6 | T799 | E797-T799 VanDerWaalsContact C-N 3.27Å; E797-T799 PolarHBondContact O-N 3.02Å |
| 798 | D | 49.8 | Very low | 57.9 | Low | 106 Ų | 106 | 108.6 Ų | 108.6 | 57% | 0.567 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -73 | -11.6 | -178.5 | -60.6 | -38.1 | 0 | 0 | 0 | 114 | Q796 | Q796-D798 VanDerWaalsContact C-N 3.27Å; Q796-D798 PolarHBondContact O-N 3.28Å |
| 799 | T | 49.8 | Very low | 55.6 | Low | 92 Ų | 92 | 111.6 Ų | 111.6 | 56% | 0.564 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -108 | -22.2 | -173.2 | 51 | 0 | 0 | 0 | 0 | 115.8 | Q796 E797 | Q796-T799 PolarHBondContact O-N 3.31Å; Q796-T799 VanDerWaalsContact O-N 3.1Å; Q796-T799 PolarHBondContact O-OG1 2.9Å; E797-T799 VanDerWaalsContact C-N 3.27Å; E797-T799 PolarHBondContact O-N 3.02Å |
| 800 | S | 44.7 | Very low | 53.3 | Low | 69 Ų | 69 | 110.2 Ų | 110.2 | 48% | 0.483 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -79.4 | -46.7 | 177.3 | 45 | 0 | 0 | 0 | 0 | 111.9 | L802 S803 | S800-L802 PolarHBondContact O-N 3.4Å; S800-L802 VanDerWaalsContact O-N 3.08Å; S800-S803 PolarHBondContact O-N 3.39Å; S800-S803 PolarHBondContact O-OG 3.36Å |
| 801 | K | 45.8 | Very low | 51.2 | Low | 164 Ų | 164 | 109.7 Ų | 109.7 | 71% | 0.713 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -14.3 | -175.1 | -66.4 | -159.7 | 174 | -160.8 | 0 | 115.7 | S804 | K801-S804 PolarHBondContact O-OG 2.99Š|
| 802 | L | 48.4 | Very low | 49.3 | Very low | 131 Ų | 131 | 113.5 Ų | 113.5 | 69% | 0.686 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -12.2 | 175.9 | -145.6 | 74.5 | 0 | 0 | 0 | 113.5 | S800 | S800-L802 PolarHBondContact O-N 3.4Å; S800-L802 VanDerWaalsContact O-N 3.08Å |
| 803 | S | 46 | Very low | 48.1 | Very low | 80 Ų | 80 | 114.4 Ų | 114.4 | 56% | 0.559 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -16.9 | -178.3 | 63.7 | 0 | 0 | 0 | 0 | 114 | S800 | S800-S803 PolarHBondContact O-N 3.39Å; S800-S803 PolarHBondContact O-OG 3.36Å |
| 804 | S | 45.4 | Very low | 47.1 | Very low | 91 Ų | 91 | 120.3 Ų | 120.3 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -83.4 | -17.7 | -179 | 41.6 | 0 | 0 | 0 | 0 | 115 | K801 | K801-S804 PolarHBondContact O-OG 2.99Š|
| 805 | T | 45.5 | Very low | 46.1 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -112.2 | 6 | -161.6 | -42.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 806 | I | 51.2 | Low | 44.9 | Very low | 131 Ų | 131 | 128 Ų | 128 | 67% | 0.672 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -125 | 25.5 | -172.5 | -42.6 | -178.2 | 0 | 0 | 0 | 112.1 | ||
| 807 | N | 42.7 | Very low | 44 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -133.2 | 55.5 | -179.2 | -74.2 | -56.3 | 0 | 0 | 0 | 113.7 | ||
| 808 | S | 40.7 | Very low | 43.6 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | trans | -165.5 | 108.2 | 159.3 | -89.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 809 | P | 47.3 | Very low | 42.8 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | trans | -79.6 | 125.1 | 162.1 | -5.9 | 24.1 | 0 | 0 | 0 | 109.5 | ||||
| 810 | S | 41.8 | Very low | 42.3 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 88% | 0.881 | 74% | 0.736 | S | S | * | * | trans | -69.2 | 137.9 | 175.2 | -48.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 811 | D | 44.6 | Very low | 41.8 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | -139 | 154.7 | 158.7 | -140.7 | -29.7 | 0 | 0 | 0 | 110.9 | ||||
| 812 | S | 45.9 | Very low | 41.3 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | -84.3 | 146.4 | -151.1 | 65.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 813 | P | 37.2 | Very low | 40.4 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | trans | -96.7 | 128.7 | 174.5 | 35 | -31 | 0 | 0 | 0 | 113.1 | ||||
| 814 | Y | 38.1 | Very low | 39.8 | Very low | 230 Ų | 230 | 139.7 Ų | 139.7 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -163.5 | 149.9 | 154.1 | -117.5 | -75.8 | 0 | 0 | 0 | 112.6 | ||||
| 815 | S | 39.2 | Very low | 39.1 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | 57.6 | 93.7 | 167.7 | -58 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 816 | R | 36.4 | Very low | 38.4 | Very low | 243 Ų | 243 | 142.9 Ų | 142.9 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | cis | 74.7 | 138.1 | 49.2 | -157.6 | -172.2 | -165.3 | -158 | 5.7 | 114 | ||||
| 817 | S | 36.9 | Very low | 37.4 | Very low | 86 Ų | 86 | 142.4 Ų | 142.4 | 60% | 0.601 | 79% | 0.787 | S | S | * | * | trans | 92.3 | 131.6 | 169.2 | -89.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 818 | E | 37.3 | Very low | 37.1 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | trans | 65.1 | 143 | 146.1 | -72.3 | 138.1 | -117.7 | 0 | 0 | 120.4 | ||||
| 819 | E | 33.9 | Very low | 36.6 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | -168.7 | 159.9 | -22.8 | -127.7 | -166.7 | 171 | 0 | 0 | 110.4 | ||||
| 820 | H | 38.3 | Very low | 36 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | 60 | 169.9 | 160.4 | -72.7 | 73 | 0 | 0 | 0 | 118.9 | ||||
| 821 | G | 36.1 | Very low | 35.5 | Very low | 75 Ų | 75 | 144.4 Ų | 144.4 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | 129.9 | 75.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 822 | Q | 34.9 | Very low | 35.1 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | -52.6 | 147.6 | 175.3 | -64.9 | 144.6 | -44.6 | 0 | 0 | 116.2 | ||||
| 823 | Q | 28.6 | Very low | 34.7 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | 25.4 | 114.4 | 135.8 | -59.3 | 174.3 | -14.1 | 0 | 0 | 118.9 | ||||
| 824 | S | 33.7 | Very low | 34.7 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -165.6 | 126.2 | 133.5 | -88.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 825 | S | 29.9 | Very low | 34.6 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -93 | 119 | 161.2 | 54.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 826 | M | 32.7 | Very low | 34.3 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 80% | 0.803 | 75% | 0.748 | S | S | * | * | trans | -166.1 | 123.8 | 157.2 | -112.8 | -178.4 | -70.5 | 0 | 0 | 114.5 | ||||
| 827 | I | 29.6 | Very low | 34.4 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 62% | 0.621 | 74% | 0.741 | S | S | * | * | 43 | 110 | 128.8 | -54.1 | 172.6 | 0 | 0 | 0 | 119.3 | N829 | I827-N829 HydrophobicContact CG2-CB 4.38Å; I827-N829 WeakPolarHBondContact CG2-ND2 3.24Å | |||
| 828 | H | 35.7 | Very low | 34.1 | Very low | 178 Ų | 178 | 137 Ų | 137 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | -157.6 | 115.2 | 118.3 | -132.3 | -85.7 | 0 | 0 | 0 | 108.9 | |||||
| 829 | N | 30.9 | Very low | 34 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 58% | 0.583 | 75% | 0.746 | S | S | * | * | 72 | 93.1 | 56.3 | -78.1 | -8.3 | 0 | 0 | 0 | 116.5 | I827 | I827-N829 HydrophobicContact CG2-CB 4.38Å; I827-N829 WeakPolarHBondContact CG2-ND2 3.24Å | |||
| 830 | L | 34.2 | Very low | 34.1 | Very low | 161 Ų | 161 | 133 Ų | 133 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | 98.2 | 145.9 | 103.7 | -162.7 | 67.9 | 0 | 0 | 0 | 120.2 | |||||
| 831 | C | 32.5 | Very low | 33.6 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 70% | 0.703 | 74% | 0.744 | S | S | * | * | trans | 88.1 | 134.9 | 161.6 | -170.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 832 | C | 34.6 | Very low | 33.7 | Very low | 105 Ų | 105 | 132 Ų | 132 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | cis | -160.9 | 173.4 | -7.8 | -78 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 833 | S | 37.9 | Very low | 33.8 | Very low | 91 Ų | 91 | 129 Ų | 129 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | cis | -168.9 | 171 | -2.8 | -110.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 834 | Q | 38.5 | Very low | 34.1 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | cis | -163.9 | -174.1 | -1.4 | -124.7 | 162.2 | -100.5 | 0 | 0 | 110.1 | ||||
| 835 | D | 35.4 | Very low | 34.2 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | trans | 28.2 | 138.7 | 148.9 | -44.6 | -27.7 | 0 | 0 | 0 | 122 | ||||
| 836 | G | 33 | Very low | 34.4 | Very low | 66 Ų | 66 | 131.8 Ų | 131.8 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | cis | 175.2 | 172.6 | -0.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 837 | D | 36.9 | Very low | 34.7 | Very low | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | 66 | 111.6 | 165 | -57.2 | -4.4 | 0 | 0 | 0 | 119.6 | ||||
| 838 | F | 30.9 | Very low | 34.9 | Very low | 194 Ų | 194 | 128.3 Ų | 128.3 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | 75.5 | 140.1 | 73.3 | -67.8 | -52.9 | 0 | 0 | 0 | 114.3 | |||||
| 839 | S | 36.2 | Very low | 34.7 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | cis | -164.1 | 149.9 | -7.5 | 48.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 840 | N | 35.6 | Very low | 34.9 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | -172.2 | 137.2 | 74.2 | -98 | -49.4 | 0 | 0 | 0 | 107.8 | |||||
| 841 | C | 28.4 | Very low | 34.9 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | 61.1 | 124.7 | 78.1 | -59.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 842 | T | 37.1 | Very low | 35.2 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | cis | -148.1 | 144.5 | 47.7 | 43.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 843 | P | 37.6 | Very low | 35.3 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | trans | -131.4 | 154 | 150.8 | 37.8 | -26 | 0 | 0 | 0 | 113.8 | ||||
| 844 | Y | 35.8 | Very low | 34.7 | Very low | 214 Ų | 214 | 138.5 Ų | 138.5 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -154.1 | 151.2 | 174.9 | -80.7 | -93.5 | 0 | 0 | 0 | 109.5 | ||||
| 845 | S | 33.8 | Very low | 34.6 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | cis | -166.2 | 161.6 | -25 | -109 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 846 | L | 36 | Very low | 34.4 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -69 | 167.6 | 174.2 | -112.9 | 74 | 0 | 0 | 0 | 113.1 | ||||
| 847 | P | 38.9 | Very low | 34.4 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | -153.6 | -163.4 | 58.2 | 39.1 | -15.7 | 0 | 0 | 0 | 116.4 | |||||
| 848 | S | 33.7 | Very low | 33.9 | Very low | 87 Ų | 87 | 138.7 Ų | 138.7 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | 179 | 151.5 | -50.3 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 849 | R | 31.4 | Very low | 34 | Very low | 221 Ų | 221 | 135.7 Ų | 135.7 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | 67.7 | 141.4 | 163 | -96.7 | 177.2 | -173 | -118.2 | 0.5 | 117.6 | ||||
| 850 | R | 35.3 | Very low | 33.7 | Very low | 225 Ų | 225 | 137.6 Ų | 137.6 | 85% | 0.849 | 77% | 0.774 | S | S | * | * | cis | -153.9 | 168.8 | 33.7 | -61.2 | -179.6 | 177.3 | -137.4 | -0.1 | 113.6 | ||||
| 851 | Q | 33.8 | Very low | 33.9 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -99 | -166.3 | 165.9 | -64.5 | -170.4 | -21.9 | 0 | 0 | 110.9 | ||||
| 852 | P | 38.6 | Very low | 33.9 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | cis | -141.5 | -174 | -0.4 | 44.5 | -25.4 | 0 | 0 | 0 | 117.2 | ||||
| 853 | G | 35.4 | Very low | 33.4 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | -178.1 | 140.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 854 | C | 26.9 | Very low | 33 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -82.7 | 178.2 | -180 | -52.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 855 | S | 36.8 | Very low | 32.7 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | cis | -158.1 | 176 | 21.7 | 52.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 856 | Q | 30.9 | Very low | 32.4 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -47.8 | 155.5 | 176.5 | -72.7 | 77.3 | 5 | 0 | 0 | 114.6 | I858 | Q856-I858 HydrophobicContact CB-CD1 4.41Å; Q856-I858 HydrophobicContact CG-CD1 3.97Å | ||
| 857 | S | 31.7 | Very low | 32.1 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | -151.6 | 146 | 52.5 | -55 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 858 | I | 27.4 | Very low | 31.8 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | 56.6 | 110.8 | 62.1 | -52.1 | 170.9 | 0 | 0 | 0 | 109.1 | Q856 | Q856-I858 HydrophobicContact CB-CD1 4.41Å; Q856-I858 HydrophobicContact CG-CD1 3.97Å | |||
| 859 | T | 32.4 | Very low | 31.5 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | -136.6 | 157.8 | 59.7 | 45.2 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 860 | T | 30.6 | Very low | 31.4 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | -127.8 | -164.7 | 158.1 | 58.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 861 | P | 38.4 | Very low | 31.1 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | cis | -126.4 | -152.7 | -34.2 | 22 | 3.1 | 0 | 0 | 0 | 110.7 | ||||
| 862 | V | 28.5 | Very low | 31 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | 85.7 | 102.3 | 153.7 | -168 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 863 | S | 27.8 | Very low | 30.9 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | 26.8 | 156.9 | 120.4 | -38.5 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 864 | T | 28 | Very low | 30.7 | Very low | 121 Ų | 121 | 132 Ų | 132 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | 101.8 | 149.8 | 144.4 | -20.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 865 | L | 30.1 | Very low | 31 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | 85.2 | 95.1 | 165.4 | -59.2 | 178.8 | 0 | 0 | 0 | 118.3 | ||||
| 866 | K | 28.6 | Very low | 30.6 | Very low | 187 Ų | 187 | 131.2 Ų | 131.2 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -48.3 | 153.2 | 147.4 | -68 | 179.7 | 173.3 | -179.1 | 0 | 111.5 | ||||
| 867 | T | 29.6 | Very low | 30.9 | Very low | 125 Ų | 125 | 129 Ų | 129 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | 52.2 | 118.4 | 149.8 | 54.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 868 | L | 30.9 | Very low | 30.8 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | -158.4 | 111.7 | 99.9 | -90.1 | 158.9 | 0 | 0 | 0 | 105.9 | |||||
| 869 | D | 27.8 | Very low | 30.8 | Very low | 128 Ų | 128 | 131 Ų | 131 | 68% | 0.684 | 75% | 0.749 | S | S | * | * | 83.3 | 157.2 | 74.5 | -169.4 | 21.2 | 0 | 0 | 0 | 111.7 | |||||
| 870 | N | 30.6 | Very low | 30.6 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | 74.5 | 138.1 | -167.1 | -47.4 | -84.9 | 0 | 0 | 0 | 114.3 | ||||
| 871 | S | 29.1 | Very low | 30.4 | Very low | 82 Ų | 82 | 130.6 Ų | 130.6 | 57% | 0.573 | 73% | 0.733 | S | S | * | * | cis | -179 | 158.2 | -12.2 | 49.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 872 | F | 31.4 | Very low | 29.9 | Very low | 189 Ų | 189 | 132.9 Ų | 132.9 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | trans | 65.6 | 134 | 164.3 | -66.5 | -66.9 | 0 | 0 | 0 | 115.5 | ||||
| 873 | I | 35.5 | Very low | 29.8 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | cis | -136.7 | 139.8 | 2.6 | -92.1 | 138 | 0 | 0 | 0 | 109 | ||||
| 874 | P | 31.2 | Very low | 29.9 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | trans | -86.2 | 152.5 | 167.8 | 35.6 | -33.5 | 0 | 0 | 0 | 112 | ||||
| 875 | G | 33.5 | Very low | 29.7 | Very low | 64 Ų | 64 | 141.2 Ų | 141.2 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | trans | 110.8 | 153.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 876 | N | 27.7 | Very low | 29.5 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | cis | -151 | 156.5 | -9.7 | -138 | 32.3 | 0 | 0 | 0 | 109.1 | ||||
| 877 | P | 39 | Very low | 29.3 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | trans | -83.2 | -172.7 | -179.7 | 38 | -36.2 | 0 | 0 | 0 | 110.7 | ||||
| 878 | T | 28.3 | Very low | 29.2 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | trans | 74.8 | 153.2 | 174.6 | -10.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 879 | E | 27.1 | Very low | 29 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | 68.8 | 152.8 | 166.7 | -66.4 | 171.9 | -164.6 | 0 | 0 | 115 | ||||
| 880 | L | 28.1 | Very low | 29.1 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 64% | 0.639 | 73% | 0.734 | S | S | * | * | cis | -136.5 | 123.4 | 9.5 | -160.8 | 62.7 | 0 | 0 | 0 | 111.5 | ||||
| 881 | E | 27.9 | Very low | 29.1 | Very low | 131 Ų | 131 | 132 Ų | 132 | 61% | 0.612 | 74% | 0.736 | S | S | * | * | trans | 69.3 | 126.2 | 143.4 | -70.1 | -174 | 144.5 | 0 | 0 | 120.2 | ||||
| 882 | Q | 27.3 | Very low | 29.2 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | 46.8 | 98 | 85.5 | -50.5 | 175.6 | 57.4 | 0 | 0 | 112.9 | |||||
| 883 | I | 27.5 | Very low | 29.4 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | trans | -154.9 | 113.6 | 142.6 | -109.8 | 151.1 | 0 | 0 | 0 | 109.6 | ||||
| 884 | T | 28.2 | Very low | 29.5 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 64% | 0.638 | 73% | 0.734 | S | S | * | * | trans | 40 | 129.6 | 162.8 | 44.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 885 | R | 24.1 | Very low | 29.6 | Very low | 251 Ų | 251 | 130.8 Ų | 130.8 | 95% | 0.947 | 73% | 0.732 | S | S | * | * | cis | 49.7 | 50.5 | 48.6 | -61.9 | -174.8 | 170.9 | 157.9 | -3.9 | 115.6 | ||||
| 886 | S | 26.8 | Very low | 29.7 | Very low | 86 Ų | 86 | 133 Ų | 133 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | trans | -157.3 | 126.5 | 157.3 | 49.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 887 | N | 24.9 | Very low | 29.9 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | 52.3 | 144.2 | 62.5 | -75.3 | -27.3 | 0 | 0 | 0 | 113.5 | |||||
| 888 | S | 26.3 | Very low | 29.7 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | trans | 97.4 | 111.5 | 168.3 | -167.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 889 | L | 27.6 | Very low | 29.7 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | 44.8 | 136.3 | 127.9 | -47.6 | 173.8 | 0 | 0 | 0 | 118.9 | |||||
| 890 | A | 30 | Very low | 29.9 | Very low | 82 Ų | 82 | 132 Ų | 132 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | cis | -154.6 | 161.1 | 23.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 891 | S | 30.9 | Very low | 30.1 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | 34.8 | 145.6 | 129.2 | -49.6 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 892 | C | 30.5 | Very low | 30.3 | Very low | 107 Ų | 107 | 133 Ų | 133 | 72% | 0.723 | 74% | 0.736 | S | S | * | * | cis | -163.8 | 163 | 16.2 | 11.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 893 | N | 36.3 | Very low | 30.7 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | cis | -157.3 | 137.6 | 8.1 | -110.5 | -17.1 | 0 | 0 | 0 | 110.5 | ||||
| 894 | S | 35.9 | Very low | 30.8 | Very low | 89 Ų | 89 | 131 Ų | 131 | 62% | 0.622 | 74% | 0.738 | S | S | * | * | 71 | 143.4 | 128.6 | -54.6 | 0 | 0 | 0 | 0 | 122 | |||||
| 895 | F | 34.1 | Very low | 30.6 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 77% | 0.772 | 74% | 0.741 | S | S | * | * | cis | -157.7 | 147.1 | 0.1 | -134.5 | -138.6 | 0 | 0 | 0 | 112.2 | ||||
| 896 | T | 34.8 | Very low | 30.7 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | trans | 54 | 124.9 | 155.7 | 50.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 897 | K | 32.7 | Very low | 30.8 | Very low | 191 Ų | 191 | 127 Ų | 127 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | cis | 91.3 | 148 | 44.6 | -90.2 | -156.4 | 155 | -170.6 | 0 | 114.7 | ||||
| 898 | P | 34.6 | Very low | 31 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 66% | 0.656 | 73% | 0.734 | S | S | * | * | cis | -150 | 177.4 | -47.3 | 41.9 | -22.7 | 0 | 0 | 0 | 116.1 | ||||
| 899 | S | 29.2 | Very low | 31.3 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | 76.5 | 151.3 | 137.5 | -128.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 900 | N | 30.9 | Very low | 31.5 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | 96.7 | 111.2 | 146.3 | -67.5 | -0.1 | 0 | 0 | 0 | 121.4 | ||||
| 901 | H | 32.1 | Very low | 31.5 | Very low | 162 Ų | 162 | 131 Ų | 131 | 75% | 0.75 | 73% | 0.73 | S | S | * | * | trans | 76.7 | 115.7 | 132.4 | -83 | -101.2 | 0 | 0 | 0 | 121.7 | ||||
| 902 | V | 32 | Very low | 31.4 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | 73.7 | 129.7 | 127.5 | 171.4 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 903 | P | 34.4 | Very low | 31.4 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | trans | -71.9 | 148.2 | 172 | 32.4 | -36.2 | 0 | 0 | 0 | 111 | ||||
| 904 | L | 29.9 | Very low | 31.2 | Very low | 161 Ų | 161 | 130.3 Ų | 130.3 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | trans | -163.3 | 149.6 | 151 | -110.3 | 163.6 | 0 | 0 | 0 | 111.8 | ||||
| 905 | T | 25.5 | Very low | 30.9 | Very low | 114 Ų | 114 | 132 Ų | 132 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | trans | -54.9 | 164.9 | 179 | 52.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 906 | S | 25.9 | Very low | 30.8 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 66% | 0.664 | 72% | 0.717 | S | S | * | * | trans | 86.5 | 113.5 | 148.3 | 76.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 907 | N | 28.4 | Very low | 30.7 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | 40.1 | 99.1 | 118.2 | -55 | -13.7 | 0 | 0 | 0 | 119.4 | |||||
| 908 | F | 28.8 | Very low | 30.8 | Very low | 183 Ų | 183 | 126.5 Ų | 126.5 | 80% | 0.803 | 71% | 0.706 | S | S | * | * | -144.5 | 110 | 129.8 | -90.2 | -83.9 | 0 | 0 | 0 | 106.5 | |||||
| 909 | A | 31.9 | Very low | 30.9 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | 65.4 | 146.5 | 76.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 910 | R | 32.3 | Very low | 31.2 | Very low | 208 Ų | 208 | 130.1 Ų | 130.1 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | cis | -137.5 | 154.7 | 31.9 | -62.6 | 170 | 176.6 | 146.3 | 1.4 | 109.8 | ||||
| 911 | T | 30.4 | Very low | 31.6 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.724 | 72% | 0.715 | S | S | * | * | 57.4 | 137.3 | 54.6 | -23.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 912 | V | 29.8 | Very low | 31.6 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | -160.1 | 152.2 | 51.1 | -142.1 | 0 | 0 | 0 | 0 | 105.2 | |||||
| 913 | L | 30.2 | Very low | 31.7 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 81% | 0.806 | 72% | 0.715 | S | S | * | * | cis | -149.7 | 146.2 | 45 | -68.2 | 151.8 | 0 | 0 | 0 | 109.2 | ||||
| 914 | S | 30.6 | Very low | 31.6 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 57% | 0.573 | 72% | 0.715 | S | S | * | * | 65.5 | 138.8 | 54.3 | -72.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 915 | N | 30.5 | Very low | 31.7 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 67% | 0.674 | 71% | 0.706 | S | S | * | * | cis | -165.4 | 178.9 | 6.2 | -113.4 | 21.2 | 0 | 0 | 0 | 107.5 | ||||
| 916 | N | 32.3 | Very low | 32.1 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 65% | 0.647 | 70% | 0.704 | S | S | * | * | cis | -169.3 | 177.2 | 17.9 | -136.4 | -6.5 | 0 | 0 | 0 | 113.3 | ||||
| 917 | N | 32.3 | Very low | 32.5 | Very low | 114 Ų | 114 | 135 Ų | 135 | 61% | 0.61 | 71% | 0.71 | S | S | * | * | trans | 77.2 | 141.6 | 147.7 | -73 | 29.4 | 0 | 0 | 0 | 120.2 | ||||
| 918 | D | 34.7 | Very low | 32.8 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 67% | 0.668 | 70% | 0.698 | S | S | * | * | cis | -160.9 | 162.5 | 5 | -123.8 | -25.5 | 0 | 0 | 0 | 114.6 | ||||
| 919 | K | 36.3 | Very low | 33 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 81% | 0.809 | 70% | 0.699 | S | S | * | * | trans | 77 | 146.9 | 168.6 | -64.1 | 168.7 | -176.1 | 171.1 | 0 | 118.4 | ||||
| 920 | S | 36.9 | Very low | 33.2 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | cis | -177.3 | 138.7 | -13.8 | 49.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 921 | D | 38.4 | Very low | 33.2 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 80% | 0.802 | 69% | 0.694 | S | S | * | * | cis | -127.1 | -102.3 | -12.7 | -66.7 | -44.7 | 0 | 0 | 0 | 109.7 | ||||
| 922 | L | 32 | Very low | 33.3 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 65% | 0.654 | 69% | 0.693 | S | S | * | * | cis | -153.4 | 111.9 | -12.5 | -174.5 | 70.8 | 0 | 0 | 0 | 111.3 | ||||
| 923 | F | 34.1 | Very low | 33.3 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | trans | 65.9 | 137.8 | 172.9 | -56.9 | -41 | 0 | 0 | 0 | 117.9 | ||||
| 924 | K | 33.2 | Very low | 33.2 | Very low | 175 Ų | 175 | 131.6 Ų | 131.6 | 76% | 0.761 | 69% | 0.687 | S | S | * | * | cis | -161.1 | 147.5 | 3.8 | -133.6 | -173.8 | 178.1 | -177.7 | 0 | 113.2 | ||||
| 925 | C | 31.4 | Very low | 33.1 | Very low | 98 Ų | 98 | 134 Ų | 134 | 66% | 0.662 | 69% | 0.693 | S | S | * | * | trans | 65.2 | 141.1 | 157.3 | -62.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 926 | D | 34.3 | Very low | 33 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 66% | 0.663 | 69% | 0.694 | S | S | * | * | cis | -163 | 134.9 | -11 | -119.7 | -52.3 | 0 | 0 | 0 | 112.7 | ||||
| 927 | N | 33.8 | Very low | 33 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 69% | 0.691 | S | S | * | * | trans | 45.2 | 145.1 | 144.5 | -85.3 | -64.4 | 0 | 0 | 0 | 123.4 | ||||
| 928 | S | 33.9 | Very low | 32.7 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 53% | 0.531 | 70% | 0.695 | S | S | . | * | cis | -170.1 | 157.8 | -1.7 | 75.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 929 | R | 34.2 | Very low | 32.6 | Very low | 216 Ų | 216 | 137.9 Ų | 137.9 | 82% | 0.815 | 70% | 0.695 | S | S | * | * | trans | 67.7 | 149.5 | 152.9 | -67.3 | -177.2 | 164.3 | 127.8 | -3.6 | 118.5 | ||||
| 930 | N | 34.8 | Very low | 32.2 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | cis | -165.1 | 145.2 | -4.9 | -113.4 | -0.9 | 0 | 0 | 0 | 110.7 | ||||
| 931 | N | 33.8 | Very low | 31.9 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | trans | 43.2 | 147.2 | 133.7 | -65.8 | 8.7 | 0 | 0 | 0 | 121.8 | ||||
| 932 | M | 30.7 | Very low | 31.4 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 70% | 0.7 | 70% | 0.699 | S | S | * | * | cis | -171.4 | 145.1 | 18.9 | -128.8 | 170.7 | 58.1 | 0 | 0 | 114.8 | ||||
| 933 | I | 31.4 | Very low | 31.4 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 65% | 0.646 | 71% | 0.709 | S | S | * | * | 67.1 | 106.6 | 129 | -80.6 | -179.7 | 0 | 0 | 0 | 123.2 | |||||
| 934 | T | 28 | Very low | 31.1 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | 82.5 | 140.1 | 122.2 | 67.3 | 0 | 0 | 0 | 0 | 127.4 | |||||
| 935 | L | 29 | Very low | 30.8 | Very low | 133 Ų | 133 | 135 Ų | 135 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | 87.4 | 105.8 | 127.9 | -82.5 | 164 | 0 | 0 | 0 | 122.1 | |||||
| 936 | E | 27.8 | Very low | 30.7 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | 74.9 | 158.5 | 122.3 | -112.6 | 177.7 | -133.4 | 0 | 0 | 122.1 | |||||
| 937 | H | 31 | Very low | 30.7 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 60% | 0.602 | 72% | 0.716 | S | S | * | * | trans | 72.5 | 149.4 | 162.8 | -72.9 | 14.8 | 0 | 0 | 0 | 117.3 | ||||
| 938 | R | 27.9 | Very low | 30.4 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 68% | 0.683 | 72% | 0.718 | S | S | * | * | cis | -173.2 | 161.3 | -17.5 | -177.2 | -172 | -71.2 | -150.8 | 1.1 | 107.5 | ||||
| 939 | T | 32 | Very low | 30.5 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | trans | 68.1 | 126.1 | 160.1 | 33.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 940 | F | 27.2 | Very low | 30.1 | Very low | 186 Ų | 186 | 132.5 Ų | 132.5 | 82% | 0.816 | 72% | 0.719 | S | S | * | * | 84.4 | 142.6 | 52.9 | -95.2 | -83 | 0 | 0 | 0 | 115.2 | |||||
| 941 | N | 30.9 | Very low | 29.9 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | 72.9 | 126.1 | 169 | -50 | -29.2 | 0 | 0 | 0 | 115 | ||||
| 942 | A | 27.4 | Very low | 29.7 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | cis | 74.9 | 78.5 | 24 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 943 | L | 32.4 | Very low | 30 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | trans | -135.2 | 121 | 145.1 | -66.7 | 175.6 | 0 | 0 | 0 | 105.7 | ||||
| 944 | N | 27 | Very low | 29.8 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | 63.1 | 119.7 | 65.5 | -94.4 | -10.6 | 0 | 0 | 0 | 116 | |||||
| 945 | S | 26.7 | Very low | 30.1 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | 90.1 | 163.6 | 142 | -137.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 946 | T | 30 | Very low | 30.1 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 64% | 0.644 | 73% | 0.726 | S | S | * | * | trans | 71.2 | 100.8 | 159.1 | 47.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 947 | D | 34 | Very low | 30.4 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | 94.2 | 110.9 | 116.8 | -56.7 | -16.9 | 0 | 0 | 0 | 122.4 | |||||
| 948 | N | 27.5 | Very low | 30.4 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | -19.7 | 156 | 131.1 | -74.7 | -49.3 | 0 | 0 | 0 | 115.6 | ||||
| 949 | P | 37 | Very low | 30.4 | Very low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | cis | -153.7 | 165.2 | 38.4 | 44.6 | -25 | 0 | 0 | 0 | 119.3 | ||||
| 950 | S | 26.3 | Very low | 30.3 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | trans | 45.9 | 157 | 132.2 | 79.3 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 951 | T | 30.5 | Very low | 30.4 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 69% | 0.693 | 73% | 0.725 | S | S | * | * | trans | 94.5 | 95.6 | 142.9 | -52.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 952 | I | 28.1 | Very low | 30.4 | Very low | 137 Ų | 137 | 124.1 Ų | 124.1 | 70% | 0.703 | 72% | 0.722 | S | S | * | * | 44.2 | 119.5 | 112.7 | -61.4 | 169.3 | 0 | 0 | 0 | 116.6 | T954 | I952-T954 WeakPolarHBondContact CG2-OG1 3.35Š| |||
| 953 | P | 36.7 | Very low | 30.4 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | -132.8 | 158.8 | 72.4 | 30.4 | -12.7 | 0 | 0 | 0 | 114.7 | |||||
| 954 | T | 28.6 | Very low | 30 | Very low | 103 Ų | 103 | 122.4 Ų | 122.4 | 63% | 0.632 | 71% | 0.712 | S | S | * | * | cis | 82.9 | 153.2 | 33.2 | -55.9 | 0 | 0 | 0 | 0 | 114.2 | I952 I956 | I952-T954 WeakPolarHBondContact CG2-OG1 3.35Å; T954-I956 HydrophobicContact CG2-CD1 4.33Å | ||
| 955 | V | 34.9 | Very low | 30 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 76% | 0.758 | 71% | 0.706 | S | S | * | * | trans | 86.5 | 86.1 | -170.3 | -169.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 956 | I | 28.7 | Very low | 30 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 65% | 0.646 | 70% | 0.7 | S | S | * | * | 72.4 | 103 | 64 | -55.6 | 159.4 | 0 | 0 | 0 | 112.4 | T954 | T954-I956 HydrophobicContact CG2-CD1 4.33Š| |||
| 957 | Y | 33.3 | Very low | 30.1 | Very low | 219 Ų | 219 | 126.5 Ų | 126.5 | 86% | 0.859 | 71% | 0.707 | S | S | * | * | -158.9 | 122.5 | 108.5 | -108.3 | -96.9 | 0 | 0 | 0 | 104.2 | |||||
| 958 | A | 30.6 | Very low | 29.9 | Very low | 71 Ų | 71 | 126.5 Ų | 126.5 | 59% | 0.587 | 70% | 0.702 | S | S | * | * | 59.7 | 130.7 | 68.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 959 | S | 28.9 | Very low | 30.2 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 60% | 0.601 | 71% | 0.708 | S | S | * | * | cis | -169.1 | 156.6 | 11.8 | -122.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 960 | Q | 29.9 | Very low | 29.9 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | trans | 67.1 | 158.2 | 140.6 | -64.6 | 174.8 | -77.1 | 0 | 0 | 118.5 | ||||
| 961 | D | 28.9 | Very low | 30.4 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 66% | 0.658 | 71% | 0.711 | S | S | * | * | cis | -159.9 | 173.2 | -17.4 | -106.4 | -20.1 | 0 | 0 | 0 | 109 | ||||
| 962 | S | 31.6 | Very low | 30.6 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 72% | 0.717 | S | S | * | * | trans | 57 | 115.8 | 152.5 | -71.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 963 | T | 26.6 | Very low | 30.7 | Very low | 117 Ų | 117 | 131 Ų | 131 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | 67.2 | 147.4 | 58.9 | 72.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 964 | C | 25.2 | Very low | 30.7 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 70% | 0.703 | 72% | 0.716 | S | S | * | * | trans | 75 | 145.2 | 160 | -67.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 965 | E | 26.1 | Very low | 30.8 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | cis | -169.4 | 161.8 | -17.8 | -126.3 | 175.1 | 137.2 | 0 | 0 | 110.7 | ||||
| 966 | Q | 26.6 | Very low | 30.6 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 66% | 0.659 | 71% | 0.711 | S | S | * | * | trans | 57.5 | 160.9 | 148.6 | -117.3 | 66.9 | -19.9 | 0 | 0 | 123.7 | ||||
| 967 | Q | 32.7 | Very low | 30.8 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | trans | 69.3 | 95.5 | 157.2 | -69.5 | 155.9 | 46.6 | 0 | 0 | 115.9 | ||||
| 968 | Q | 28.8 | Very low | 30.7 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 69% | 0.687 | 71% | 0.711 | S | S | * | * | 67 | 112.8 | 51.3 | -165 | -171.8 | -8.1 | 0 | 0 | 114.1 | D970 | Q968-D970 PolarHBondContact NE2-OD2 3.1Š| |||
| 969 | M | 34.8 | Very low | 30.5 | Very low | 189 Ų | 189 | 134.3 Ų | 134.3 | 93% | 0.931 | 71% | 0.714 | S | S | * | * | trans | -147.5 | 148.7 | 135 | -79.9 | -154.2 | -66.6 | 0 | 0 | 108.8 | ||||
| 970 | D | 29.9 | Very low | 30.6 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | -111.4 | 147.9 | -160.9 | -50.8 | -92.4 | 0 | 0 | 0 | 113.7 | Q968 | Q968-D970 PolarHBondContact NE2-OD2 3.1Š| ||
| 971 | A | 36.5 | Very low | 30.8 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | -176.8 | 114.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 972 | E | 34.5 | Very low | 30.7 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | 61.5 | 126.9 | 78.8 | -71 | -153.9 | -133.3 | 0 | 0 | 113.9 | |||||
| 973 | N | 31.1 | Very low | 30.6 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | cis | -158.3 | -172 | 1 | -140 | -48.5 | 0 | 0 | 0 | 111 | ||||
| 974 | F | 36.6 | Very low | 30.8 | Very low | 191 Ų | 191 | 138.6 Ų | 138.6 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | trans | 77.6 | 57.6 | 172.1 | -60.3 | -77.5 | 0 | 0 | 0 | 119.7 | ||||
| 975 | S | 30.2 | Very low | 31 | Very low | 88 Ų | 88 | 142.2 Ų | 142.2 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | 23.9 | 121.5 | 110 | -164.6 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 976 | N | 31.9 | Very low | 31.4 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | trans | 68.8 | 135.2 | 139.9 | -64.8 | 2.3 | 0 | 0 | 0 | 120.2 | ||||
| 977 | N | 32.7 | Very low | 31.5 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | cis | -146.6 | 140.8 | 8.4 | -96.5 | -27.7 | 0 | 0 | 0 | 114.8 | ||||
| 978 | Y | 30.8 | Very low | 31.5 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | trans | -19.9 | 144.7 | 144 | -59.9 | -84.1 | 0 | 0 | 0 | 116.6 | ||||
| 979 | S | 27.2 | Very low | 31.8 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | cis | 62.5 | 130.7 | 3.7 | -155.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 980 | L | 30.6 | Very low | 31.8 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | 67.2 | 171.3 | 177.4 | -39.5 | 179 | 0 | 0 | 0 | 114.1 | ||||
| 981 | H | 34.7 | Very low | 32.4 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | cis | -150 | 176.2 | -0.2 | -163 | -111.3 | 0 | 0 | 0 | 111.2 | ||||
| 982 | L | 25.5 | Very low | 32.4 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | -87.2 | 175.3 | 168.1 | -153.2 | 72.9 | 0 | 0 | 0 | 111.5 | ||||
| 983 | T | 29.9 | Very low | 32.3 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 61% | 0.607 | 74% | 0.735 | S | S | * | * | trans | 80.9 | 98.4 | 148.6 | -51.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 984 | T | 31.3 | Very low | 32.6 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | 70.2 | 134.7 | 139.3 | 60 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 985 | Q | 28.9 | Very low | 32.6 | Very low | 180 Ų | 180 | 145.3 Ų | 145.3 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | trans | 83.8 | 163 | 140.2 | -80.4 | -170.9 | 61.5 | 0 | 0 | 122.7 | ||||
| 986 | I | 34.4 | Very low | 32.9 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 91.3 | 86.2 | 166 | -47.7 | -171.6 | 0 | 0 | 0 | 119.4 | ||||
| 987 | Q | 29.7 | Very low | 33.2 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | 54.4 | 135.1 | 121.3 | -76.8 | -180 | -20.3 | 0 | 0 | 125.8 | |||||
| 988 | H | 31.9 | Very low | 33.3 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | trans | 59.7 | 130 | 145.4 | -52 | -47 | 0 | 0 | 0 | 119.7 | ||||
| 989 | S | 34.6 | Very low | 33.5 | Very low | 97 Ų | 97 | 146.9 Ų | 146.9 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | -173.1 | 139.6 | 56.8 | -65.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 990 | F | 35.3 | Very low | 34 | Very low | 199 Ų | 199 | 149.5 Ų | 149.5 | 87% | 0.873 | 76% | 0.756 | S | S | * | * | trans | 47.1 | 166.6 | 140.6 | -77 | -78.7 | 0 | 0 | 0 | 123.2 | ||||
| 991 | P | 41.3 | Very low | 34.2 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | cis | -128.5 | 162.7 | -17.1 | 35.9 | -20.2 | 0 | 0 | 0 | 115.2 | ||||
| 992 | H | 36.8 | Very low | 34.2 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | trans | -150.3 | 162 | 137.2 | -119.7 | -85.2 | 0 | 0 | 0 | 111.1 | ||||
| 993 | Q | 34 | Very low | 34.6 | Very low | 167 Ų | 167 | 149 Ų | 149 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | trans | -80.4 | 147.2 | -161.4 | -59.4 | 156.7 | -32.7 | 0 | 0 | 114.7 | ||||
| 994 | L | 36.6 | Very low | 34.8 | Very low | 174 Ų | 174 | 152.7 Ų | 152.7 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | -173.8 | -179.2 | 116.2 | -97.4 | 163.9 | 0 | 0 | 0 | 112.4 | |||||
| 995 | Q | 35.4 | Very low | 34.8 | Very low | 171 Ų | 171 | 155.4 Ų | 155.4 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -102.3 | 164 | -150.3 | -157.9 | 91.2 | -3.9 | 0 | 0 | 115.9 | ||||
| 996 | S | 37.9 | Very low | 35 | Very low | 100 Ų | 100 | 152.1 Ų | 152.1 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | 80.8 | 88.4 | 150.4 | 31.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 997 | Q | 37.9 | Very low | 34.7 | Very low | 167 Ų | 167 | 152.7 Ų | 152.7 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | 45.6 | 126.8 | 118.1 | -63.4 | 179.1 | 9.5 | 0 | 0 | 123 | |||||
| 998 | Q | 35 | Very low | 34.8 | Very low | 162 Ų | 162 | 153.4 Ų | 153.4 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | trans | 68.5 | 143.7 | 138.8 | -65.3 | 174.8 | -27.9 | 0 | 0 | 118.7 | ||||
| 999 | E | 34.7 | Very low | 34.7 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | -154.2 | 151.1 | 2 | -127.4 | -167.5 | 120.8 | 0 | 0 | 114.4 | ||||
| 1000 | H | 37.1 | Very low | 34.8 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | trans | 30.8 | 128.6 | 152.3 | -76.2 | 114.5 | 0 | 0 | 0 | 126 | ||||
| 1001 | Q | 35.9 | Very low | 34.5 | Very low | 159 Ų | 159 | 146.7 Ų | 146.7 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | 110 | 121.8 | 126 | -84.4 | 178.5 | 98.3 | 0 | 0 | 123.9 | |||||
| 1002 | Q | 34.5 | Very low | 34.1 | Very low | 173 Ų | 173 | 149 Ų | 149 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | 72.3 | 133.5 | 151.1 | -64.2 | -165.8 | 4.9 | 0 | 0 | 122.3 | ||||
| 1003 | P | 32.8 | Very low | 33.9 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | trans | -118.2 | 160.4 | 176.9 | 41.7 | -32.3 | 0 | 0 | 0 | 115.3 | ||||
| 1004 | Q | 35 | Very low | 33.9 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -167.9 | 131 | 140.1 | -115 | 161.9 | 97.6 | 0 | 0 | 115.3 | ||||
| 1005 | Q | 31.9 | Very low | 33.8 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | 58.9 | 150.6 | 146.8 | -73.2 | -177.7 | 0.5 | 0 | 0 | 124.3 | ||||
| 1006 | S | 31.5 | Very low | 33.9 | Very low | 111 Ų | 111 | 149 Ų | 149 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | 83.7 | 113.9 | 159.7 | 69.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1007 | N | 29.2 | Very low | 33.8 | Very low | 154 Ų | 154 | 151.5 Ų | 151.5 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | 7.4 | 124.3 | 147.4 | -51.6 | -7.4 | 0 | 0 | 0 | 119.1 | ||||
| 1008 | L | 30.9 | Very low | 33.7 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 89% | 0.885 | 76% | 0.759 | S | S | * | * | -175.8 | 158.2 | 111.5 | -98.5 | 160.7 | 0 | 0 | 0 | 111.6 | |||||
| 1009 | S | 30.9 | Very low | 33.6 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -60.3 | 156 | 164.5 | -41.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1010 | P | 35.7 | Very low | 33.6 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | -152.4 | -179.6 | 66.8 | 41.7 | -21.7 | 0 | 0 | 0 | 116.7 | |||||
| 1011 | S | 28.9 | Very low | 33.4 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -71 | 150.3 | 163.2 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1012 | L | 32.7 | Very low | 33.4 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 69.4 | 114.2 | 153.4 | -66.9 | 161.3 | 0 | 0 | 0 | 120 | ||
| 1013 | L | 33.7 | Very low | 33.4 | Very low | 159 Ų | 159 | 141 Ų | 141 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 59.5 | 95.2 | 139.7 | -67.2 | 166.2 | 0 | 0 | 0 | 119.5 | ||||
| 1014 | H | 32.8 | Very low | 33.8 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | trans | -50.6 | 145.7 | 147.7 | -89.1 | 40.2 | 0 | 0 | 0 | 112.5 | ||||
| 1015 | R | 34.6 | Very low | 33.6 | Very low | 215 Ų | 215 | 139.9 Ų | 139.9 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | -174.9 | 100 | 112.3 | -173.4 | 172.9 | 177.7 | 137.1 | 6.2 | 114.4 | |||||
| 1016 | H | 38.3 | Very low | 33.5 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | trans | 63.6 | 157 | 153 | -61.8 | -42.7 | 0 | 0 | 0 | 118.7 | ||||
| 1017 | H | 36.8 | Very low | 33.5 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 70% | 0.704 | 74% | 0.743 | S | S | * | * | cis | -153 | 145.8 | -2.7 | -127 | -57.5 | 0 | 0 | 0 | 111.8 | ||||
| 1018 | S | 34 | Very low | 33.5 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 55% | 0.545 | 74% | 0.739 | S | S | . | * | trans | 66.8 | 119.2 | 143.7 | -61.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 1019 | Q | 34.4 | Very low | 33.6 | Very low | 182 Ų | 182 | 135.9 Ų | 135.9 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | trans | 70.5 | 144.8 | 132.1 | -63 | 170.9 | 11.6 | 0 | 0 | 119.4 | ||||
| 1020 | S | 33.1 | Very low | 34 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | cis | -174.7 | 150.5 | -17.3 | 50.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1021 | S | 33.8 | Very low | 34.1 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | trans | 67.2 | 155.2 | 159.3 | 76.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 1022 | S | 34.9 | Very low | 34.1 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | cis | -167.2 | 147.8 | -26.8 | 51.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 1023 | H | 35.4 | Very low | 33.9 | Very low | 181 Ų | 181 | 136.9 Ų | 136.9 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | 74.9 | 158.2 | 148.3 | -78.3 | -32.5 | 0 | 0 | 0 | 120.8 | ||||
| 1024 | P | 42.2 | Very low | 33.7 | Very low | 102 Ų | 102 | 134 Ų | 134 | 66% | 0.662 | 73% | 0.727 | S | S | * | * | trans | -134.1 | -154.7 | -149.3 | 40.7 | -18.7 | 0 | 0 | 0 | 113 | ||||
| 1025 | M | 30.6 | Very low | 33.5 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | trans | 72 | 155.8 | 177.2 | -59.5 | -69.2 | -176.9 | 0 | 0 | 113 | ||||
| 1026 | N | 29.9 | Very low | 33.2 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 67% | 0.674 | 71% | 0.713 | S | S | * | * | cis | -149.2 | 177.3 | 17.9 | -147.6 | -6.4 | 0 | 0 | 0 | 113.2 | ||||
| 1027 | T | 30.7 | Very low | 32.9 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 58% | 0.577 | 72% | 0.717 | S | S | * | * | trans | -26.5 | 160.2 | 159.1 | 62.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1028 | Q | 28.4 | Very low | 32.4 | Very low | 159 Ų | 159 | 120.4 Ų | 120.4 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | 176.9 | 171.9 | 61.4 | -145.3 | 168.3 | 98.4 | 0 | 0 | 114.1 | |||||
| 1029 | L | 33.6 | Very low | 32.2 | Very low | 143 Ų | 143 | 121.3 Ų | 121.3 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | 73.6 | 102.9 | 157.5 | -61.6 | 174.2 | 0 | 0 | 0 | 120 | ||||
| 1030 | V | 39.3 | Very low | 31.9 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | trans | -81.9 | 134.4 | 145.7 | 173.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1031 | P | 37.4 | Very low | 31.6 | Very low | 102 Ų | 102 | 117.6 Ų | 117.6 | 66% | 0.662 | 73% | 0.725 | S | S | * | * | trans | -119.7 | 130.5 | 136.8 | -0.7 | 22.3 | 0 | 0 | 0 | 109.9 | ||||
| 1032 | L | 28.8 | Very low | 31.4 | Very low | 150 Ų | 150 | 116.4 Ų | 116.4 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | 71.5 | 146.7 | 77 | -80.4 | 152.3 | 0 | 0 | 0 | 115 | |||||
| 1033 | S | 28.9 | Very low | 31.5 | Very low | 112 Ų | 112 | 119.6 Ų | 119.6 | 78% | 0.783 | 72% | 0.721 | S | S | * | * | trans | 69.1 | 142.9 | 164.7 | 58.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1034 | S | 29.3 | Very low | 31.1 | Very low | 97 Ų | 97 | 118 Ų | 118 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | cis | -168.7 | -176.9 | -12.5 | 49.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1035 | S | 29.5 | Very low | 30.7 | Very low | 90 Ų | 90 | 120.3 Ų | 120.3 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | trans | 58.2 | 103.8 | 146.2 | 50.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1036 | S | 28.9 | Very low | 30.5 | Very low | 106 Ų | 106 | 121.8 Ų | 121.8 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | 54.3 | 127.6 | 86.7 | 78.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1037 | S | 30.3 | Very low | 31 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | -175.1 | 145.3 | 57.7 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1038 | S | 28.1 | Very low | 31.2 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | 35 | 136.8 | 135.3 | 69.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1039 | A | 28.9 | Very low | 31.2 | Very low | 97 Ų | 97 | 122 Ų | 122 | 80% | 0.802 | 72% | 0.718 | S | S | * | * | trans | 72.9 | 157.8 | 154 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1040 | S | 27.9 | Very low | 30.9 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | cis | -154.2 | 158 | 1.1 | -150.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1041 | S | 28 | Very low | 30.5 | Very low | 87 Ų | 87 | 122.2 Ų | 122.2 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | trans | 42.8 | 114.4 | 136.8 | 172.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1042 | S | 28.7 | Very low | 30.1 | Very low | 89 Ų | 89 | 123.1 Ų | 123.1 | 62% | 0.622 | 71% | 0.712 | S | S | * | * | trans | 69.5 | 153.1 | 137.2 | -46.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 1043 | H | 36.3 | Very low | 30.4 | Very low | 161 Ų | 161 | 122.6 Ų | 122.6 | 75% | 0.745 | 71% | 0.71 | S | S | * | * | cis | -127.7 | 159.1 | 20.4 | -78.6 | -92.9 | 0 | 0 | 0 | 110.6 | ||||
| 1044 | H | 28.4 | Very low | 30.4 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 68% | 0.681 | 70% | 0.704 | S | S | * | * | 42.1 | 128.9 | 76.6 | -85.1 | -92 | 0 | 0 | 0 | 111.9 | |||||
| 1045 | L | 33 | Very low | 30.4 | Very low | 152 Ų | 152 | 124.9 Ų | 124.9 | 80% | 0.796 | 70% | 0.702 | S | S | * | * | cis | -139.3 | 150.1 | 29.5 | -58.1 | 159.2 | 0 | 0 | 0 | 108 | ||||
| 1046 | R | 26.4 | Very low | 30.5 | Very low | 195 Ų | 195 | 127.1 Ų | 127.1 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | cis | 61.3 | 90.5 | 14.6 | -164.6 | 167.9 | -177.1 | 170.5 | 2.4 | 117.1 | ||||
| 1047 | F | 40.9 | Very low | 30.7 | Very low | 141 Ų | 141 | 125.5 Ų | 125.5 | 62% | 0.618 | 71% | 0.707 | S | S | * | * | trans | 65.2 | 142.8 | 165 | -64.4 | -59.2 | 0 | 0 | 0 | 116.3 | L1049 | F1047-L1049 HydrophobicContact CB-CD1 3.86Š| ||
| 1048 | P | 34.2 | Very low | 30.8 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | -88.4 | 141.8 | 90.8 | -25.4 | 37.9 | 0 | 0 | 0 | 113.4 | |||||
| 1049 | L | 27.9 | Very low | 30.8 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 65% | 0.654 | 70% | 0.7 | S | S | * | * | cis | 62.5 | 129.9 | 48.6 | -73.1 | 72.8 | 0 | 0 | 0 | 111.5 | F1047 | F1047-L1049 HydrophobicContact CB-CD1 3.86Š| ||
| 1050 | D | 27.4 | Very low | 30.9 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | cis | -146.6 | 174.4 | -18.2 | -83.6 | -45.8 | 0 | 0 | 0 | 104.4 | ||||
| 1051 | I | 31.1 | Very low | 31 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | -177.4 | 137.1 | 67 | -77.5 | -178.7 | 0 | 0 | 0 | 105.9 | |||||
| 1052 | L | 28.3 | Very low | 31 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 63% | 0.634 | 69% | 0.693 | S | S | * | * | trans | 8.8 | 131.3 | 138.7 | -50.8 | 158.5 | 0 | 0 | 0 | 116 | Q1054 | L1052-Q1054 HydrophobicContact CD2-CG 4.1Š| ||
| 1053 | D | 35.6 | Very low | 31.3 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | -138.1 | 139.8 | 54.3 | -104.1 | -18.9 | 0 | 0 | 0 | 110.3 | |||||
| 1054 | Q | 28.8 | Very low | 31.1 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 65% | 0.645 | 70% | 0.702 | S | S | * | * | 46.6 | 96.3 | 53 | -67.5 | -161.4 | 43.6 | 0 | 0 | 113.9 | L1052 | L1052-Q1054 HydrophobicContact CD2-CG 4.1Š| |||
| 1055 | N | 30.3 | Very low | 31.3 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 64% | 0.642 | 71% | 0.71 | S | S | * | * | 179.2 | 146.6 | 107.4 | -95.5 | -68.3 | 0 | 0 | 0 | 112.9 | |||||
| 1056 | N | 30.6 | Very low | 31.4 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | 29.6 | 114.5 | 143 | -47.1 | -34.2 | 0 | 0 | 0 | 118.5 | ||||
| 1057 | G | 34.5 | Very low | 31.7 | Very low | 72 Ų | 72 | 130 Ų | 130 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | cis | 118 | -152.3 | 3.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1058 | T | 30.7 | Very low | 31.4 | Very low | 106 Ų | 106 | 129 Ų | 129 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | trans | 52.6 | 112.8 | 163.5 | 51.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1059 | N | 29.6 | Very low | 31.4 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 66% | 0.663 | 71% | 0.709 | S | S | * | * | 72.7 | 157 | 128.7 | -60.4 | -27.5 | 0 | 0 | 0 | 118.9 | |||||
| 1060 | K | 29.5 | Very low | 31.5 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 58% | 0.583 | 71% | 0.708 | S | S | * | * | cis | -179.4 | 175 | -20.9 | -100.9 | 173.6 | -171.6 | 173.2 | 0 | 104.5 | ||||
| 1061 | Y | 31.1 | Very low | 31.8 | Very low | 193 Ų | 193 | 128 Ų | 128 | 76% | 0.757 | 70% | 0.7 | S | S | * | * | trans | 75.3 | 122.4 | 160.6 | -51 | -60.9 | 0 | 0 | 0 | 114.1 | ||||
| 1062 | S | 27.4 | Very low | 31.9 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | cis | 99.8 | 157 | 40.7 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1063 | T | 34.4 | Very low | 32.1 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 88% | 0.877 | 71% | 0.705 | S | S | * | * | trans | 69.3 | 130.8 | -170.6 | 72.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1064 | G | 33.8 | Very low | 31.9 | Very low | 65 Ų | 65 | 131.6 Ų | 131.6 | 67% | 0.67 | 71% | 0.706 | S | S | * | * | cis | 174.7 | 168.6 | -10.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1065 | N | 32 | Very low | 31.9 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 84% | 0.84 | 71% | 0.711 | S | S | * | * | trans | 7.4 | 133 | 154.5 | -42.1 | -19.8 | 0 | 0 | 0 | 116.3 | ||||
| 1066 | S | 35.7 | Very low | 32 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | -179.9 | 173.1 | 56.3 | -42.4 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1067 | R | 31.8 | Very low | 32.1 | Very low | 211 Ų | 211 | 133.2 Ų | 133.2 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | cis | -168.6 | 151.5 | 7 | -138.4 | -178.8 | 143.8 | -179.2 | -7.4 | 108.7 | ||||
| 1068 | L | 33.7 | Very low | 32.1 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 63% | 0.628 | 71% | 0.713 | S | S | * | * | trans | 67.1 | 123.1 | 157.1 | -60.2 | -179.2 | 0 | 0 | 0 | 117.9 | ||||
| 1069 | H | 34.2 | Very low | 32.1 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | 76.6 | 140.2 | 62.5 | -82.6 | -124 | 0 | 0 | 0 | 113.4 | |||||
| 1070 | N | 31.5 | Very low | 32.1 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 63% | 0.631 | 71% | 0.714 | S | S | * | * | cis | -170.7 | 164.6 | -10.5 | -127.9 | 48.3 | 0 | 0 | 0 | 109.7 | ||||
| 1071 | S | 32.7 | Very low | 32.2 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 55% | 0.552 | 72% | 0.723 | S | S | * | * | trans | 65 | 157.9 | 144.3 | -63.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1072 | E | 33.2 | Very low | 32.2 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | cis | -156.9 | 168.3 | -9.1 | -119.5 | 142.1 | -128.5 | 0 | 0 | 110.3 | ||||
| 1073 | H | 32 | Very low | 32.4 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | 7.6 | 156.8 | 148.4 | -73 | -131.6 | 0 | 0 | 0 | 121.1 | ||||
| 1074 | E | 33.1 | Very low | 32.2 | Very low | 165 Ų | 165 | 132.4 Ų | 132.4 | 77% | 0.771 | 71% | 0.714 | S | S | * | * | cis | -158.2 | -179.2 | 21.6 | -144.8 | 144.4 | -129.8 | 0 | 0 | 114.2 | ||||
| 1075 | T | 28.5 | Very low | 32 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | trans | -79.7 | 164.9 | 178.4 | 39 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1076 | I | 32 | Very low | 31.8 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | 172.8 | 126.2 | 127.2 | -88.8 | 157.8 | 0 | 0 | 0 | 114.5 | |||||
| 1077 | H | 33.5 | Very low | 31.7 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | trans | 29.3 | 132.7 | 150.3 | -74.8 | -68.9 | 0 | 0 | 0 | 127.2 | ||||
| 1078 | N | 32.7 | Very low | 31.6 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 65% | 0.652 | 70% | 0.699 | S | S | * | * | 87.6 | 116.8 | 123.6 | -70.8 | 6.9 | 0 | 0 | 0 | 124.3 | |||||
| 1079 | N | 31.1 | Very low | 31.4 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 65% | 0.652 | 71% | 0.705 | S | S | * | * | 83.4 | 111.2 | 122.2 | -65.5 | 13 | 0 | 0 | 0 | 122.9 | |||||
| 1080 | N | 30.5 | Very low | 31.2 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | 93.8 | 121.5 | 124.7 | -64.4 | 6.5 | 0 | 0 | 0 | 121.7 | |||||
| 1081 | N | 30.7 | Very low | 31.1 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | trans | 78.1 | 94.9 | 134.4 | -65.5 | 4.9 | 0 | 0 | 0 | 121.4 | ||||
| 1082 | S | 31.3 | Very low | 31 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | 115.3 | 143.6 | 101.9 | -163.9 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1083 | S | 31.9 | Very low | 31 | Very low | 91 Ų | 91 | 134.4 Ų | 134.4 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | trans | 68.8 | 107.7 | 161.7 | -72.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1084 | N | 29.6 | Very low | 31 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | 51.3 | 106.6 | 119.6 | -56.4 | -4.3 | 0 | 0 | 0 | 116.7 | |||||
| 1085 | N | 30.2 | Very low | 31.3 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | -167.5 | 162.3 | 53.2 | -88.6 | -51.1 | 0 | 0 | 0 | 112.7 | |||||
| 1086 | N | 28.1 | Very low | 31.4 | Very low | 133 Ų | 133 | 137 Ų | 137 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | trans | 43.3 | 105 | 152.6 | -58.9 | -18.5 | 0 | 0 | 0 | 118.1 | ||||
| 1087 | H | 33.9 | Very low | 31.3 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 78% | 0.778 | 72% | 0.715 | S | S | * | * | -176.1 | 133.6 | 105.4 | -94.3 | -62.6 | 0 | 0 | 0 | 112.4 | |||||
| 1088 | N | 28.3 | Very low | 31 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 54% | 0.535 | 71% | 0.711 | S | S | . | * | trans | 39.4 | 159.6 | 136.1 | -66.7 | 3.2 | 0 | 0 | 0 | 123.4 | ||||
| 1089 | L | 30.1 | Very low | 30.9 | Very low | 145 Ų | 145 | 134 Ų | 134 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | trans | 87.3 | 75.4 | 153.2 | -72 | 150.6 | 0 | 0 | 0 | 120.2 | ||||
| 1090 | T | 29.5 | Very low | 30.7 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | 64.2 | 159.3 | 117.3 | 60.9 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1091 | K | 31 | Very low | 30.8 | Very low | 196 Ų | 196 | 134.2 Ų | 134.2 | 85% | 0.852 | 73% | 0.733 | S | S | * | * | trans | 85.1 | 147.3 | 163.4 | -63.6 | 172.3 | -177.6 | 172.5 | 0 | 115.6 | ||||
| 1092 | S | 29.4 | Very low | 30.6 | Very low | 88 Ų | 88 | 133 Ų | 133 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | cis | -173.4 | -169 | -20.2 | -171.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1093 | I | 34.2 | Very low | 30.5 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | 82.5 | 105.6 | 166.2 | -51.4 | 170.4 | 0 | 0 | 0 | 112.1 | ||||
| 1094 | Y | 32.1 | Very low | 30.5 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | 71.4 | 148.7 | 58.3 | -74.6 | -60 | 0 | 0 | 0 | 112.6 | |||||
| 1095 | P | 38.3 | Very low | 30.3 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | cis | -153.3 | 165.1 | 42.5 | 42.3 | -20.9 | 0 | 0 | 0 | 121.6 | ||||
| 1096 | Y | 30.3 | Very low | 30.5 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | 72.5 | 159.8 | 146 | -86.1 | -140.8 | 0 | 0 | 0 | 117 | ||||
| 1097 | C | 29.9 | Very low | 30.5 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | cis | -124.7 | 154.8 | 17.3 | -126.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1098 | N | 27.5 | Very low | 30.4 | Very low | 118 Ų | 118 | 135 Ų | 135 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | trans | -91.5 | 159.7 | 176.9 | -87.8 | -60.7 | 0 | 0 | 0 | 112.4 | ||||
| 1099 | S | 30.4 | Very low | 30.5 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | trans | -145.5 | 134.3 | 138.2 | -160.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1100 | Q | 27.7 | Very low | 30.6 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 71% | 0.71 | 75% | 0.754 | S | S | * | * | trans | -111.6 | 151.9 | -167.5 | -62.6 | 174.1 | -57.5 | 0 | 0 | 112.6 | ||||
| 1101 | A | 31.8 | Very low | 30.6 | Very low | 103 Ų | 103 | 134 Ų | 134 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -144.2 | 112.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1102 | N | 26.4 | Very low | 30.6 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 64% | 0.642 | 75% | 0.746 | S | S | * | * | trans | -92.5 | 173.8 | 175.1 | -69.1 | -59.5 | 0 | 0 | 0 | 111.3 | ||||
| 1103 | Y | 30.3 | Very low | 30.7 | Very low | 216 Ų | 216 | 135.1 Ų | 135.1 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | trans | 145.5 | 87.4 | 145.4 | -76.8 | -57.8 | 0 | 0 | 0 | 110.6 | ||||
| 1104 | T | 30.7 | Very low | 30.5 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | 85.7 | 126.1 | 85.6 | 52.5 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1105 | S | 26.2 | Very low | 30.4 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -77.3 | 167.2 | 172 | -40.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1106 | P | 34.1 | Very low | 30 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | -135.5 | 168 | 88.3 | 18.3 | 4.5 | 0 | 0 | 0 | 112.9 | |||||
| 1107 | V | 28 | Very low | 30.1 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | cis | 90.3 | 131 | 25.7 | -178.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1108 | S | 31.4 | Very low | 30 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | 88.7 | 138 | 178.8 | -37.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1109 | G | 31.8 | Very low | 30.1 | Very low | 63 Ų | 63 | 133.8 Ų | 133.8 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | cis | 154.4 | 173.4 | -11 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1110 | N | 30.8 | Very low | 30.1 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | trans | 73.1 | 154.7 | 151.6 | -60 | -11.3 | 0 | 0 | 0 | 118.5 | ||||
| 1111 | L | 30.8 | Very low | 30.2 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 62% | 0.618 | 75% | 0.747 | S | S | * | * | cis | -162.9 | 148.4 | -7.4 | -141.5 | 69.4 | 0 | 0 | 0 | 113.5 | ||||
| 1112 | H | 29.9 | Very low | 30.1 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 73% | 0.731 | 74% | 0.738 | S | S | * | * | trans | 52.6 | 178.4 | 149.2 | -65.7 | -10.9 | 0 | 0 | 0 | 119.8 | ||||
| 1113 | L | 32.6 | Very low | 30.3 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | cis | -122.6 | 158 | -3.9 | -76.7 | 80.7 | 0 | 0 | 0 | 108.8 | ||||
| 1114 | H | 30.2 | Very low | 30.5 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 70% | 0.704 | 74% | 0.735 | S | S | * | * | cis | 96 | 142.8 | 30.9 | -145.8 | -92.1 | 0 | 0 | 0 | 115.6 | ||||
| 1115 | H | 30.3 | Very low | 30.6 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 72% | 0.718 | 74% | 0.737 | S | S | * | * | trans | 72.6 | 130.5 | -169.5 | -60.2 | -88.2 | 0 | 0 | 0 | 115.8 | ||||
| 1116 | A | 29.9 | Very low | 31 | Very low | 85 Ų | 85 | 130.3 Ų | 130.3 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | cis | 85.2 | 110 | 10.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1117 | H | 32.2 | Very low | 31 | Very low | 181 Ų | 181 | 129.1 Ų | 129.1 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | -157.5 | 166.3 | 146.4 | -133.4 | -97.3 | 0 | 0 | 0 | 113.7 | ||||
| 1118 | L | 26.7 | Very low | 31.2 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | -90.9 | 179.1 | -175.2 | -69.2 | 158.9 | 0 | 0 | 0 | 113.8 | ||||
| 1119 | N | 30.5 | Very low | 31.3 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | trans | 98.7 | 147.2 | 158.6 | -62.1 | -29.1 | 0 | 0 | 0 | 118.1 | ||||
| 1120 | L | 29.7 | Very low | 31.2 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | cis | -173.5 | 144.2 | -21.5 | -167.8 | 69.7 | 0 | 0 | 0 | 110 | ||||
| 1121 | F | 30.2 | Very low | 31.5 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | trans | 62.6 | 161 | 170.2 | -65.7 | -50.4 | 0 | 0 | 0 | 116.8 | ||||
| 1122 | N | 30.1 | Very low | 31.6 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | cis | -154 | 162.9 | -4.5 | -133.1 | -17.3 | 0 | 0 | 0 | 112.1 | ||||
| 1123 | T | 31 | Very low | 31.5 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | trans | 56.3 | 141.3 | 158.2 | 51.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1124 | A | 33.5 | Very low | 31.3 | Very low | 77 Ų | 77 | 124.8 Ų | 124.8 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | cis | -156.2 | 122 | -3.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1125 | T | 32.8 | Very low | 31.2 | Very low | 130 Ų | 130 | 121.6 Ų | 121.6 | 80% | 0.798 | 74% | 0.739 | S | S | * | * | 53 | 140.9 | 85.4 | 65.3 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1126 | P | 35.1 | Very low | 31.2 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | cis | -143.8 | -159.3 | -28.3 | 41.6 | -22.7 | 0 | 0 | 0 | 113 | ||||
| 1127 | A | 33.1 | Very low | 31.4 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 79% | 0.793 | 74% | 0.739 | S | S | * | * | trans | 77.3 | 132.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1128 | S | 33 | Very low | 31.5 | Very low | 102 Ų | 102 | 117.2 Ų | 117.2 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | cis | -158.5 | 142.5 | -8.9 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1129 | T | 32.8 | Very low | 31.8 | Very low | 131 Ų | 131 | 115 Ų | 115 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | 51.7 | 130.5 | 157 | 52.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 1130 | A | 31 | Very low | 32 | Very low | 86 Ų | 86 | 114.2 Ų | 114.2 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | cis | 41.5 | 149.2 | 1.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1131 | P | 36.7 | Very low | 31.9 | Very low | 130 Ų | 130 | 116.1 Ų | 116.1 | 84% | 0.844 | 74% | 0.738 | S | S | * | * | cis | -94.3 | -145.2 | -18.8 | 24.2 | -2 | 0 | 0 | 0 | 108.2 | ||||
| 1132 | A | 31.9 | Very low | 32.1 | Very low | 72 Ų | 72 | 113.8 Ų | 113.8 | 60% | 0.595 | 74% | 0.738 | S | S | * | * | cis | -166.7 | 148.4 | 17.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1133 | T | 28.7 | Very low | 32.2 | Very low | 131 Ų | 131 | 114.8 Ų | 114.8 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | cis | 51.1 | 121.5 | 4.4 | -31.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1134 | I | 27.3 | Very low | 32.2 | Very low | 140 Ų | 140 | 115 Ų | 115 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | trans | 71 | 125.6 | -174.2 | -44.1 | 173.6 | 0 | 0 | 0 | 108.8 | ||||
| 1135 | A | 29.6 | Very low | 32.1 | Very low | 86 Ų | 86 | 116 Ų | 116 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | cis | -137.3 | 149.5 | 41.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1136 | T | 30.3 | Very low | 31.9 | Very low | 107 Ų | 107 | 114.5 Ų | 114.5 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | cis | 66.5 | 125.9 | 39.5 | -45.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1137 | T | 33.2 | Very low | 31.7 | Very low | 126 Ų | 126 | 115.5 Ų | 115.5 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | 134.8 | 145.4 | 149.5 | 54.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1138 | A | 33.5 | Very low | 31.4 | Very low | 95 Ų | 95 | 118.2 Ų | 118.2 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | cis | -145.1 | 166.9 | 11.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1139 | T | 34.6 | Very low | 31.1 | Very low | 98 Ų | 98 | 121.5 Ų | 121.5 | 60% | 0.601 | 75% | 0.75 | S | S | * | * | cis | 154.8 | 122 | -9.8 | -85.6 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 1140 | T | 33 | Very low | 30.8 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | 63 | 160.6 | 170.1 | 68 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1141 | M | 29.3 | Very low | 30.7 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | cis | -124.9 | 179.8 | 4 | -38.3 | -148.9 | 133.1 | 0 | 0 | 109.3 | ||||
| 1142 | T | 33.8 | Very low | 30.4 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | cis | -152.3 | 159.9 | 21.4 | 47.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 1143 | N | 32.9 | Very low | 30.4 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | -1.2 | 126.5 | 148.7 | -70.3 | -4.5 | 0 | 0 | 0 | 119.1 | ||||
| 1144 | V | 30.7 | Very low | 30.4 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | 73.4 | 125.4 | 78 | 167.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 1145 | S | 30.7 | Very low | 30.5 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | cis | -155.9 | 163.1 | 39.9 | -162.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1146 | S | 28.7 | Very low | 30.6 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | trans | 90.2 | 126.6 | 146 | -55.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1147 | N | 30.1 | Very low | 30.4 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | 96.6 | 89.4 | 153.2 | -58.4 | -10.7 | 0 | 0 | 0 | 121 | ||||
| 1148 | N | 27.9 | Very low | 30.3 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | 78.9 | 132.6 | 131 | -65.4 | -9.3 | 0 | 0 | 0 | 123.6 | ||||
| 1149 | L | 26.3 | Very low | 30 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 90% | 0.895 | 75% | 0.752 | S | S | * | * | trans | 75.2 | 83 | 144.6 | -131.2 | 74.2 | 0 | 0 | 0 | 120.4 | ||||
| 1150 | I | 25.9 | Very low | 29.7 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -139.4 | 119.1 | 154.7 | -58.1 | 177.4 | 0 | 0 | 0 | 109.3 | ||||
| 1151 | H | 28.7 | Very low | 29.5 | Very low | 166 Ų | 166 | 147 Ų | 147 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -170.8 | 142.5 | 137.1 | -110.7 | 64.3 | 0 | 0 | 0 | 114 | ||||
| 1152 | N | 31.1 | Very low | 29.6 | Very low | 121 Ų | 121 | 147.6 Ų | 147.6 | 65% | 0.647 | 77% | 0.772 | S | S | * | * | trans | 62.6 | 89.5 | 157.2 | -66.8 | -4.8 | 0 | 0 | 0 | 121 | ||||
| 1153 | N | 31.6 | Very low | 29.3 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | 68.2 | 69.2 | 113.9 | -56.5 | -3 | 0 | 0 | 0 | 118 | |||||
| 1154 | N | 29.5 | Very low | 29.2 | Very low | 108 Ų | 108 | 148.9 Ų | 148.9 | 58% | 0.578 | 78% | 0.778 | S | S | * | * | trans | -51 | 150.7 | 139.5 | -72.8 | -33.2 | 0 | 0 | 0 | 111.9 | Q1156 | N1154-Q1156 HydrophobicContact CB-CB 4.17Å; N1154-Q1156 HydrophobicContact CB-CG 3.97Å; N1154-Q1156 VanDerWaalsContact CG-CD 3.48Å; N1154-Q1156 PolarHBondContact ND2-OE1 3.21Å; N1154-Q1156 VanDerWaalsContact ND2-OE1 3.17Å; N1154-Q1156 VanDerWaalsContact OD1-CD 3.24Å; N1154-Q1156 PolarHBondContact OD1-NE2 2.66Å; N1154-Q1156 PolarHBondContact OD1-OE1 3.22Å | ||
| 1155 | N | 29.4 | Very low | 29.2 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 95% | 0.947 | 78% | 0.78 | S | S | * | * | trans | -124.8 | 66.5 | 137.1 | -106.5 | -16.2 | 0 | 0 | 0 | 107.6 | ||||
| 1156 | Q | 31.6 | Very low | 29.4 | Very low | 116 Ų | 116 | 152.4 Ų | 152.4 | 54% | 0.542 | 79% | 0.789 | S | S | . | * | trans | -89.1 | 118.8 | 174.8 | -70.9 | 177.5 | -21 | 0 | 0 | 108.4 | N1154 L1158 | N1154-Q1156 HydrophobicContact CB-CB 4.17Å; N1154-Q1156 HydrophobicContact CB-CG 3.97Å; N1154-Q1156 VanDerWaalsContact CG-CD 3.48Å; N1154-Q1156 PolarHBondContact ND2-OE1 3.21Å; N1154-Q1156 VanDerWaalsContact ND2-OE1 3.17Å; N1154-Q1156 VanDerWaalsContact OD1-CD 3.24Å; N1154-Q1156 PolarHBondContact OD1-NE2 2.66Å; N1154-Q1156 PolarHBondContact OD1-OE1 3.22Å; Q1156-L1158 HydrophobicContact CB-CD1 4.35Å; Q1156-L1158 HydrophobicContact CB-CG 4.19Å; Q1156-L1158 PolarHBondContact O-N 2.97Å | ||
| 1157 | F | 26.3 | Very low | 29.5 | Very low | 190 Ų | 190 | 156.9 Ų | 156.9 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | -79.4 | 73 | 165.5 | -108 | -87.4 | 0 | 0 | 0 | 109.9 | ||||
| 1158 | L | 31.1 | Very low | 29.6 | Very low | 125 Ų | 125 | 160.1 Ų | 160.1 | 65% | 0.654 | 81% | 0.806 | S | S | * | * | trans | -89.7 | 97.2 | 168.5 | -77.4 | 173.3 | 0 | 0 | 0 | 109 | Q1156 R1160 | Q1156-L1158 HydrophobicContact CB-CD1 4.35Å; Q1156-L1158 HydrophobicContact CB-CG 4.19Å; Q1156-L1158 PolarHBondContact O-N 2.97Å; L1158-R1160 PolarHBondContact O-N 2.94Å | ||
| 1159 | M | 26.4 | Very low | 29.8 | Very low | 181 Ų | 181 | 157.9 Ų | 157.9 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | trans | -80 | 72.6 | 169.1 | -161 | -168.9 | -58 | 0 | 0 | 109.7 | ||||
| 1160 | R | 29.3 | Very low | 30.5 | Very low | 217 Ų | 217 | 155.9 Ų | 155.9 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | -151.4 | 77 | 178.9 | -172.8 | 178.2 | 179.8 | 156.8 | 1.5 | 110.4 | L1158 | L1158-R1160 PolarHBondContact O-N 2.94Š| ||
| 1161 | D | 29 | Very low | 31.3 | Very low | 152 Ų | 152 | 158 Ų | 158 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -168.8 | 77.1 | 154.3 | -91.3 | -23.6 | 0 | 0 | 0 | 109 | ||||
| 1162 | L | 29.7 | Very low | 31.5 | Very low | 175 Ų | 175 | 157.4 Ų | 157.4 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -135.5 | 58.2 | 167.5 | -80.2 | 179.7 | 0 | 0 | 0 | 109.8 | ||||
| 1163 | T | 28.7 | Very low | 31.8 | Very low | 122 Ų | 122 | 157.1 Ų | 157.1 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -136.4 | 74.9 | 170.5 | 52.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1164 | D | 30 | Very low | 32.3 | Very low | 174 Ų | 174 | 154.1 Ų | 154.1 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | trans | -175.2 | 66.4 | 154.5 | -96.7 | -17.6 | 0 | 0 | 0 | 111.5 | ||||
| 1165 | S | 31.8 | Very low | 33 | Very low | 123 Ų | 123 | 154.6 Ų | 154.6 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -152.9 | 153.4 | 152.1 | -164.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1166 | Q | 33.9 | Very low | 33.2 | Very low | 185 Ų | 185 | 150.6 Ų | 150.6 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | -86.7 | 165.1 | -170.2 | -66 | -179.2 | -23.1 | 0 | 0 | 112.7 | ||||
| 1167 | Q | 32.2 | Very low | 33.6 | Very low | 191 Ų | 191 | 149.8 Ų | 149.8 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | trans | 74.4 | 67 | 162.1 | -158.4 | 168.7 | 57 | 0 | 0 | 117.1 | ||||
| 1168 | F | 31.9 | Very low | 34.4 | Very low | 210 Ų | 210 | 144.9 Ų | 144.9 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | trans | -130.4 | 144.7 | 156 | -113.9 | -94.3 | 0 | 0 | 0 | 110.7 | H1170 | F1168-H1170 PolarHBondContact O-N 3.47Š| ||
| 1169 | D | 31.9 | Very low | 35.1 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 57% | 0.572 | 73% | 0.727 | S | S | * | * | trans | -80.4 | 119 | -172.2 | -174.5 | -3.6 | 0 | 0 | 0 | 112.9 | R1171 F1172 | D1169-R1171 PolarHBondContact O-N 2.85Å; D1169-R1171 WeakPolarHBondContact OD1-CB 3.41Å; D1169-R1171 PolarHBondContact OD1-N 2.96Å; D1169-F1172 PolarHBondContact O-N 3.4Å | ||
| 1170 | H | 41.2 | Very low | 36.1 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 59% | 0.593 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -60 | -22.5 | 176.8 | -97 | -80.4 | 0 | 0 | 0 | 114.4 | F1168 F1172 S1174 | F1168-H1170 PolarHBondContact O-N 3.47Å; H1170-F1172 VanDerWaalsContact C-N 3.31Å; H1170-F1172 PolarHBondContact O-N 2.76Å; H1170-S1174 PolarHBondContact O-N 3.39Å |
| 1171 | R | 41.4 | Very low | 37.1 | Very low | 202 Ų | 202 | 133.2 Ų | 133.2 | 76% | 0.762 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -67.2 | -28.2 | 179.1 | -78.7 | -178.1 | 141.6 | -109 | -3.9 | 113.6 | D1169 T1175 | D1169-R1171 PolarHBondContact O-N 2.85Å; D1169-R1171 WeakPolarHBondContact OD1-CB 3.41Å; D1169-R1171 PolarHBondContact OD1-N 2.96Å; R1171-T1175 PolarHBondContact O-OG1 2.8Å; R1171-T1175 VanDerWaalsContact O-OG1 3.06Å |
| 1172 | F | 33 | Very low | 38.2 | Very low | 154 Ų | 154 | 129 Ų | 129 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -70.6 | -47.9 | -177.6 | -165.6 | -102.9 | 0 | 0 | 0 | 111.8 | D1169 H1170 S1174 T1175 | D1169-F1172 PolarHBondContact O-N 3.4Å; H1170-F1172 VanDerWaalsContact C-N 3.31Å; H1170-F1172 PolarHBondContact O-N 2.76Å; F1172-S1174 VanDerWaalsContact C-N 3.33Å; F1172-S1174 PolarHBondContact O-N 3.21Å; F1172-T1175 WeakPolarHBondContact O-CB 3.42Å; F1172-T1175 PolarHBondContact O-N 2.92Å; F1172-T1175 VanDerWaalsContact O-N 3.08Å |
| 1173 | L | 37.9 | Very low | 39.5 | Very low | 114 Ų | 114 | 125 Ų | 125 | 60% | 0.597 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -65.7 | -33.6 | 179.6 | -76.4 | 168.1 | 0 | 0 | 0 | 112.9 | T1175 M1176 | L1173-T1175 PolarHBondContact O-N 2.86Å; L1173-T1175 VanDerWaalsContact O-N 3.08Å; L1173-M1176 PolarHBondContact O-N 3.25Å; L1173-M1176 VanDerWaalsContact O-N 3.14Å |
| 1174 | S | 41.9 | Very low | 41 | Very low | 86 Ų | 86 | 122.9 Ų | 122.9 | 60% | 0.601 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -5.4 | 174.8 | -162.5 | 0 | 0 | 0 | 0 | 114 | H1170 F1172 T1177 | H1170-S1174 PolarHBondContact O-N 3.39Å; F1172-S1174 VanDerWaalsContact C-N 3.33Å; F1172-S1174 PolarHBondContact O-N 3.21Å; S1174-T1177 PolarHBondContact O-OG1 3.11Å |
| 1175 | T | 44.1 | Very low | 42.6 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 72% | 0.718 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -9.6 | 176.5 | -49.5 | 0 | 0 | 0 | 0 | 112.4 | R1171 F1172 L1173 T1177 | R1171-T1175 PolarHBondContact O-OG1 2.8Å; R1171-T1175 VanDerWaalsContact O-OG1 3.06Å; F1172-T1175 WeakPolarHBondContact O-CB 3.42Å; F1172-T1175 PolarHBondContact O-N 2.92Å; F1172-T1175 VanDerWaalsContact O-N 3.08Å; L1173-T1175 PolarHBondContact O-N 2.86Å; L1173-T1175 VanDerWaalsContact O-N 3.08Å; T1175-T1177 VanDerWaalsContact C-N 3.3Å; T1175-T1177 PolarHBondContact O-N 2.86Å |
| 1176 | M | 33.4 | Very low | 44.1 | Very low | 93 Ų | 93 | 120.6 Ų | 120.6 | 46% | 0.458 | 62% | 0.618 | S | S | . | * | trans | -89.8 | 16.8 | 177.9 | -65 | -161.1 | 76.7 | 0 | 0 | 114.2 | L1173 S1178 | L1173-M1176 PolarHBondContact O-N 3.25Å; L1173-M1176 VanDerWaalsContact O-N 3.14Å; M1176-S1178 VanDerWaalsContact C-N 3.34Å; M1176-S1178 PolarHBondContact O-N 2.84Å | ||
| 1177 | T | 40 | Very low | 45.5 | Very low | 99 Ų | 99 | 114.1 Ų | 114.1 | 61% | 0.607 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 68.4 | -171.9 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | S1174 T1175 | S1174-T1177 PolarHBondContact O-OG1 3.11Å; T1175-T1177 VanDerWaalsContact C-N 3.3Å; T1175-T1177 PolarHBondContact O-N 2.86Å |
| 1178 | S | 42.8 | Very low | 47.1 | Very low | 88 Ų | 88 | 110.7 Ų | 110.7 | 62% | 0.615 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.3 | -48.6 | 154.1 | -79.4 | 0 | 0 | 0 | 0 | 109.7 | M1176 Q1180 L1181 T1182 | M1176-S1178 VanDerWaalsContact C-N 3.34Å; M1176-S1178 PolarHBondContact O-N 2.84Å; S1178-Q1180 PolarHBondContact O-N 3.09Å; S1178-L1181 PolarHBondContact O-N 3.36Å; S1178-T1182 PolarHBondContact O-N 3.25Å; S1178-T1182 PolarHBondContact O-OG1 2.79Å |
| 1179 | G | 46.4 | Very low | 48.8 | Very low | 40 Ų | 40 | 104.9 Ų | 104.9 | 41% | 0.412 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.4 | -44.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1182 L1183 | G1179-T1182 WeakPolarHBondContact CA-OG1 3.22Å; G1179-T1182 PolarHBondContact O-N 3.35Å; G1179-T1182 PolarHBondContact O-OG1 2.97Å; G1179-L1183 PolarHBondContact O-N 3.3Å |
| 1180 | Q | 48.4 | Very low | 50.4 | Low | 110 Ų | 110 | 105.7 Ų | 105.7 | 51% | 0.514 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.6 | -35.5 | 178.8 | -74.7 | -165.9 | -6.4 | 0 | 0 | 113 | S1178 L1183 T1184 | S1178-Q1180 PolarHBondContact O-N 3.09Å; Q1180-L1183 WeakPolarHBondContact O-CB 3.32Å; Q1180-L1183 PolarHBondContact O-N 3.04Å; Q1180-L1183 VanDerWaalsContact O-N 3.15Å; Q1180-T1184 PolarHBondContact O-N 2.76Å; Q1180-T1184 PolarHBondContact O-OG1 3.21Å |
| 1181 | L | 49.5 | Very low | 51.3 | Low | 127 Ų | 127 | 103.4 Ų | 103.4 | 67% | 0.665 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.4 | -46.5 | 172.9 | -94.1 | 161.9 | 0 | 0 | 0 | 111 | S1178 L1183 T1184 E1185 | S1178-L1181 PolarHBondContact O-N 3.36Å; L1181-L1183 VanDerWaalsContact C-N 3.26Å; L1181-L1183 PolarHBondContact O-N 3.18Å; L1181-T1184 WeakPolarHBondContact CA-OG1 3.38Å; L1181-T1184 PolarHBondContact O-N 3.02Å; L1181-T1184 PolarHBondContact O-OG1 3.26Å; L1181-E1185 WeakPolarHBondContact O-CB 3.41Å; L1181-E1185 PolarHBondContact O-N 2.96Å |
| 1182 | T | 52.5 | Low | 52.5 | Low | 64 Ų | 64 | 97.4 Ų | 97.4 | 39% | 0.393 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.6 | -28.3 | 174.4 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | S1178 G1179 Q1186 | S1178-T1182 PolarHBondContact O-N 3.25Å; S1178-T1182 PolarHBondContact O-OG1 2.79Å; G1179-T1182 WeakPolarHBondContact CA-OG1 3.22Å; G1179-T1182 PolarHBondContact O-N 3.35Å; G1179-T1182 PolarHBondContact O-OG1 2.97Å; T1182-Q1186 VanDerWaalsContact O-CB 3.25Å; T1182-Q1186 WeakPolarHBondContact O-CB 3.33Å; T1182-Q1186 WeakPolarHBondContact O-CG 3.41Å; T1182-Q1186 PolarHBondContact O-N 3Å |
| 1183 | L | 57.7 | Low | 54 | Low | 91 Ų | 91 | 93.1 Ų | 93.1 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73 | -40.5 | 173.5 | -89.1 | 163.5 | 0 | 0 | 0 | 112.2 | G1179 Q1180 L1181 A1187 | G1179-L1183 PolarHBondContact O-N 3.3Å; Q1180-L1183 WeakPolarHBondContact O-CB 3.32Å; Q1180-L1183 PolarHBondContact O-N 3.04Å; Q1180-L1183 VanDerWaalsContact O-N 3.15Å; L1181-L1183 VanDerWaalsContact C-N 3.26Å; L1181-L1183 PolarHBondContact O-N 3.18Å; L1183-A1187 VanDerWaalsContact O-CB 3.23Å; L1183-A1187 WeakPolarHBondContact O-CB 3.41Å; L1183-A1187 PolarHBondContact O-N 3.46Å |
| 1184 | T | 59.1 | Low | 55.2 | Low | 78 Ų | 78 | 92.6 Ų | 92.6 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.8 | -35.6 | 173.9 | 47 | 0 | 0 | 0 | 0 | 112.3 | Q1180 L1181 A1187 L1188 | Q1180-T1184 PolarHBondContact O-N 2.76Å; Q1180-T1184 PolarHBondContact O-OG1 3.21Å; L1181-T1184 WeakPolarHBondContact CA-OG1 3.38Å; L1181-T1184 PolarHBondContact O-N 3.02Å; L1181-T1184 PolarHBondContact O-OG1 3.26Å; T1184-A1187 PolarHBondContact O-N 2.98Å; T1184-L1188 WeakPolarHBondContact O-CB 3.36Å; T1184-L1188 WeakPolarHBondContact O-CG 3.3Å; T1184-L1188 PolarHBondContact O-N 2.95Å |
| 1185 | E | 64.8 | Low | 55.9 | Low | 140 Ų | 140 | 91.3 Ų | 91.3 | 65% | 0.654 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67 | -44.2 | 174.6 | -167.9 | 174.1 | -143.6 | 0 | 0 | 110.6 | L1181 A1187 L1188 E1189 | L1181-E1185 WeakPolarHBondContact O-CB 3.41Å; L1181-E1185 PolarHBondContact O-N 2.96Å; E1185-A1187 PolarHBondContact O-N 3.41Å; E1185-L1188 PolarHBondContact O-N 3.26Å; E1185-E1189 VanDerWaalsContact O-CB 3.28Å; E1185-E1189 WeakPolarHBondContact O-CB 3.47Å; E1185-E1189 PolarHBondContact O-N 3.26Å |
| 1186 | Q | 61.5 | Low | 56.4 | Low | 109 Ų | 109 | 88.2 Ų | 88.2 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -36 | 171.6 | -75 | 170.2 | 28.2 | 0 | 0 | 112.9 | T1182 E1189 L1190 | T1182-Q1186 VanDerWaalsContact O-CB 3.25Å; T1182-Q1186 WeakPolarHBondContact O-CB 3.33Å; T1182-Q1186 WeakPolarHBondContact O-CG 3.41Å; T1182-Q1186 PolarHBondContact O-N 3Å; Q1186-E1189 PolarHBondContact O-N 2.91Å; Q1186-L1190 VanDerWaalsContact O-CB 3.31Å; Q1186-L1190 WeakPolarHBondContact O-CB 3.47Å; Q1186-L1190 VanDerWaalsContact O-CG 3.29Å; Q1186-L1190 WeakPolarHBondContact O-CG 3.42Å; Q1186-L1190 PolarHBondContact O-N 3.5Å |
| 1187 | A | 64 | Low | 57.2 | Low | 48 Ų | 48 | 85.3 Ų | 85.3 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.6 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1183 T1184 E1185 L1190 C1191 | L1183-A1187 VanDerWaalsContact O-CB 3.23Å; L1183-A1187 WeakPolarHBondContact O-CB 3.41Å; L1183-A1187 PolarHBondContact O-N 3.46Å; T1184-A1187 PolarHBondContact O-N 2.98Å; E1185-A1187 PolarHBondContact O-N 3.41Å; A1187-L1190 PolarHBondContact O-N 3.16Å; A1187-C1191 WeakPolarHBondContact O-CB 3.49Å; A1187-C1191 PolarHBondContact O-N 3.33Å; A1187-C1191 PolarHBondContact O-SG 3.22Å |
| 1188 | L | 66.4 | Low | 57.6 | Low | 119 Ų | 119 | 83.7 Ų | 83.7 | 62% | 0.623 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.1 | -36.9 | 172.3 | -77 | 168.9 | 0 | 0 | 0 | 111.9 | T1184 E1185 C1191 S1192 | T1184-L1188 WeakPolarHBondContact O-CB 3.36Å; T1184-L1188 WeakPolarHBondContact O-CG 3.3Å; T1184-L1188 PolarHBondContact O-N 2.95Å; E1185-L1188 PolarHBondContact O-N 3.26Å; L1188-C1191 PolarHBondContact O-N 2.72Å; L1188-S1192 VanDerWaalsContact O-CB 3.27Å; L1188-S1192 WeakPolarHBondContact O-CB 3.35Å; L1188-S1192 PolarHBondContact O-N 2.97Å; L1188-S1192 PolarHBondContact O-OG 3.12Å |
| 1189 | E | 66.2 | Low | 57.7 | Low | 88 Ų | 88 | 82.3 Ų | 82.3 | 41% | 0.411 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 174.8 | -167.6 | 179.4 | -127.4 | 0 | 0 | 111.5 | K721 E1185 Q1186 S1192 S1193 | K721-E1189 IonicContact NZ-OE1 3.29Å; K721-E1189 PolarHBondContact NZ-OE1 3.47Å; K721-E1189 IonicContact NZ-OE2 2.79Å; K721-E1189 PolarHBondContact NZ-OE2 3.15Å; E1185-E1189 VanDerWaalsContact O-CB 3.28Å; E1185-E1189 WeakPolarHBondContact O-CB 3.47Å; E1185-E1189 PolarHBondContact O-N 3.26Å; Q1186-E1189 PolarHBondContact O-N 2.91Å; E1189-S1192 PolarHBondContact O-N 3.38Å; E1189-S1193 VanDerWaalsContact O-CB 3.23Å; E1189-S1193 WeakPolarHBondContact O-CB 3.37Å; E1189-S1193 PolarHBondContact O-N 2.86Å; E1189-S1193 PolarHBondContact O-OG 3.34Å |
| 1190 | L | 66.1 | Low | 57.6 | Low | 125 Ų | 125 | 85 Ų | 85 | 65% | 0.654 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65 | -43.9 | 170.9 | -79.1 | 167.9 | 0 | 0 | 0 | 111.6 | Q1186 A1187 S1192 S1193 L1194 | Q1186-L1190 VanDerWaalsContact O-CB 3.31Å; Q1186-L1190 WeakPolarHBondContact O-CB 3.47Å; Q1186-L1190 VanDerWaalsContact O-CG 3.29Å; Q1186-L1190 WeakPolarHBondContact O-CG 3.42Å; Q1186-L1190 PolarHBondContact O-N 3.5Å; A1187-L1190 PolarHBondContact O-N 3.16Å; L1190-S1192 VanDerWaalsContact C-N 3.33Å; L1190-S1192 PolarHBondContact O-N 2.94Å; L1190-S1193 PolarHBondContact O-N 3.33Å; L1190-L1194 WeakPolarHBondContact O-CB 3.31Å; L1190-L1194 PolarHBondContact O-N 3.22Å |
| 1191 | C | 61.3 | Low | 57.2 | Low | 79 Ų | 79 | 81.1 Ų | 81.1 | 53% | 0.534 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 175.4 | -70.6 | 0 | 0 | 0 | 0 | 111.7 | A1187 L1188 L1194 A1195 | A1187-C1191 WeakPolarHBondContact O-CB 3.49Å; A1187-C1191 PolarHBondContact O-N 3.33Å; A1187-C1191 PolarHBondContact O-SG 3.22Å; L1188-C1191 PolarHBondContact O-N 2.72Å; C1191-L1194 PolarHBondContact O-N 3.25Å; C1191-A1195 WeakPolarHBondContact O-CB 3.3Å; C1191-A1195 PolarHBondContact O-N 3.43Å |
| 1192 | S | 65.5 | Low | 56.7 | Low | 76 Ų | 76 | 81.7 Ų | 81.7 | 53% | 0.531 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70 | -40.1 | 176.8 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | L1188 E1189 L1190 A1195 A1196 | L1188-S1192 VanDerWaalsContact O-CB 3.27Å; L1188-S1192 WeakPolarHBondContact O-CB 3.35Å; L1188-S1192 PolarHBondContact O-N 2.97Å; L1188-S1192 PolarHBondContact O-OG 3.12Å; E1189-S1192 PolarHBondContact O-N 3.38Å; L1190-S1192 VanDerWaalsContact C-N 3.33Å; L1190-S1192 PolarHBondContact O-N 2.94Å; S1192-A1195 PolarHBondContact O-N 2.89Å; S1192-A1196 VanDerWaalsContact O-CB 3.28Å; S1192-A1196 WeakPolarHBondContact O-CB 2.9Å; S1192-A1196 PolarHBondContact O-N 3.44Å |
| 1193 | S | 65.2 | Low | 56 | Low | 64 Ų | 64 | 84.3 Ų | 84.3 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 174.7 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | E1189 L1190 A1197 | E1189-S1193 VanDerWaalsContact O-CB 3.23Å; E1189-S1193 WeakPolarHBondContact O-CB 3.37Å; E1189-S1193 PolarHBondContact O-N 2.86Å; E1189-S1193 PolarHBondContact O-OG 3.34Å; L1190-S1193 PolarHBondContact O-N 3.33Å; S1193-A1197 WeakPolarHBondContact O-CB 3.19Å; S1193-A1197 PolarHBondContact O-N 3.16Å |
| 1194 | L | 62.8 | Low | 55.2 | Low | 104 Ų | 104 | 86 Ų | 86 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.1 | -36.9 | 175 | -175.9 | 60.9 | 0 | 0 | 0 | 111.7 | L1190 C1191 N1198 | L1190-L1194 WeakPolarHBondContact O-CB 3.31Å; L1190-L1194 PolarHBondContact O-N 3.22Å; C1191-L1194 PolarHBondContact O-N 3.25Å; L1194-N1198 WeakPolarHBondContact O-CB 3.42Å; L1194-N1198 PolarHBondContact O-N 2.92Å; L1194-N1198 PolarHBondContact O-ND2 3.27Å |
| 1195 | A | 56.4 | Low | 54.1 | Low | 58 Ų | 58 | 87 Ų | 87 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C1191 S1192 N1198 A1199 | C1191-A1195 WeakPolarHBondContact O-CB 3.3Å; C1191-A1195 PolarHBondContact O-N 3.43Å; S1192-A1195 PolarHBondContact O-N 2.89Å; A1195-N1198 PolarHBondContact O-N 3.5Å; A1195-A1199 WeakPolarHBondContact O-CB 3.41Å; A1195-A1199 PolarHBondContact O-N 3.32Å |
| 1196 | A | 54.7 | Low | 52.6 | Low | 52 Ų | 52 | 84.9 Ų | 84.9 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1192 N1198 A1199 I1200 | S1192-A1196 VanDerWaalsContact O-CB 3.28Å; S1192-A1196 WeakPolarHBondContact O-CB 2.9Å; S1192-A1196 PolarHBondContact O-N 3.44Å; A1196-N1198 VanDerWaalsContact C-N 3.32Å; A1196-N1198 PolarHBondContact O-N 2.85Å; A1196-A1199 PolarHBondContact O-N 3.42Å; A1196-I1200 VanDerWaalsContact O-CG1 3.29Å; A1196-I1200 WeakPolarHBondContact O-CG1 3.4Å; A1196-I1200 PolarHBondContact O-N 3.08Å |
| 1197 | A | 50.2 | Low | 51.2 | Low | 32 Ų | 32 | 87 Ų | 87 | 26% | 0.264 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R334 S1193 I1200 S1201 | R334-A1197 VanDerWaalsContact CZ-O 3.26Å; R334-A1197 PolarHBondContact NH1-O 2.98Å; R334-A1197 PolarHBondContact NH2-O 3.18Å; S1193-A1197 WeakPolarHBondContact O-CB 3.19Å; S1193-A1197 PolarHBondContact O-N 3.16Å; A1197-I1200 PolarHBondContact O-N 3.28Å; A1197-S1201 PolarHBondContact O-N 2.9Å |
| 1198 | N | 48.3 | Very low | 49.5 | Very low | 66 Ų | 66 | 92.7 Ų | 92.7 | 35% | 0.353 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.2 | -39.7 | 177 | -72.7 | -14.2 | 0 | 0 | 0 | 111.7 | L1194 A1195 A1196 I1200 S1201 F1202 | L1194-N1198 WeakPolarHBondContact O-CB 3.42Å; L1194-N1198 PolarHBondContact O-N 2.92Å; L1194-N1198 PolarHBondContact O-ND2 3.27Å; A1195-N1198 PolarHBondContact O-N 3.5Å; A1196-N1198 VanDerWaalsContact C-N 3.32Å; A1196-N1198 PolarHBondContact O-N 2.85Å; N1198-I1200 PolarHBondContact O-N 3.45Å; N1198-S1201 CarbonylContact O-C 3.4Å; N1198-S1201 WeakPolarHBondContact O-CA 3.45Å; N1198-S1201 VanDerWaalsContact O-CB 3.23Å; N1198-S1201 WeakPolarHBondContact O-CB 3.3Å; N1198-S1201 PolarHBondContact O-N 3.33Å; N1198-F1202 HydrophobicContact CB-CD2 4.47Å; N1198-F1202 HydrophobicContact CB-CE2 4.35Å; N1198-F1202 WeakPolarHBondContact O-CD2 3.46Å; N1198-F1202 PolarHBondContact O-N 2.96Å |
| 1199 | A | 44.7 | Very low | 47.8 | Very low | 58 Ų | 58 | 92.6 Ų | 92.6 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1195 A1196 S1201 F1202 N1203 | A1195-A1199 WeakPolarHBondContact O-CB 3.41Å; A1195-A1199 PolarHBondContact O-N 3.32Å; A1196-A1199 PolarHBondContact O-N 3.42Å; A1199-S1201 PolarHBondContact O-N 3.23Å; A1199-F1202 PolarHBondContact O-N 2.93Å; A1199-N1203 PolarHBondContact O-N 3.1Å |
| 1200 | I | 44.2 | Very low | 45.9 | Very low | 98 Ų | 98 | 96 Ų | 96 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.5 | -33.3 | 171.9 | -66.1 | 163.9 | 0 | 0 | 0 | 111.1 | A1196 A1197 N1198 N1204 | A1196-I1200 VanDerWaalsContact O-CG1 3.29Å; A1196-I1200 WeakPolarHBondContact O-CG1 3.4Å; A1196-I1200 PolarHBondContact O-N 3.08Å; A1197-I1200 PolarHBondContact O-N 3.28Å; N1198-I1200 PolarHBondContact O-N 3.45Å; I1200-N1204 WeakPolarHBondContact O-CB 3.42Å; I1200-N1204 VanDerWaalsContact O-CG 3.3Å; I1200-N1204 PolarHBondContact O-N 2.81Å; I1200-N1204 VanDerWaalsContact O-N 3.12Å; I1200-N1204 PolarHBondContact O-OD1 2.87Å |
| 1201 | S | 40.4 | Very low | 44 | Very low | 28 Ų | 28 | 96.9 Ų | 96.9 | 20% | 0.196 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -70.3 | -37.7 | 175.3 | -137.4 | 0 | 0 | 0 | 0 | 112.9 | R334 A1197 N1198 A1199 N1205 | R334-S1201 VanDerWaalsContact NH2-CB 3.31Å; R334-S1201 PolarHBondContact NH2-OG 2.79Å; A1197-S1201 PolarHBondContact O-N 2.9Å; N1198-S1201 CarbonylContact O-C 3.4Å; N1198-S1201 WeakPolarHBondContact O-CA 3.45Å; N1198-S1201 VanDerWaalsContact O-CB 3.23Å; N1198-S1201 WeakPolarHBondContact O-CB 3.3Å; N1198-S1201 PolarHBondContact O-N 3.33Å; A1199-S1201 PolarHBondContact O-N 3.23Å; S1201-N1205 WeakPolarHBondContact O-CB 3.47Å; S1201-N1205 VanDerWaalsContact O-CG 3.29Å; S1201-N1205 PolarHBondContact O-N 3.49Å |
| 1202 | F | 38.6 | Very low | 42.3 | Very low | 138 Ų | 138 | 98.7 Ų | 98.7 | 61% | 0.605 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -76.6 | -35.2 | 178.3 | -74.8 | -64.5 | 0 | 0 | 0 | 111.9 | N1198 A1199 N1205 N1206 | N1198-F1202 HydrophobicContact CB-CD2 4.47Å; N1198-F1202 HydrophobicContact CB-CE2 4.35Å; N1198-F1202 WeakPolarHBondContact O-CD2 3.46Å; N1198-F1202 PolarHBondContact O-N 2.96Å; A1199-F1202 PolarHBondContact O-N 2.93Å; F1202-N1205 PolarHBondContact O-N 3.33Å; F1202-N1206 VanDerWaalsContact O-CG 3.3Å; F1202-N1206 PolarHBondContact O-ND2 3.48Å; F1202-N1206 VanDerWaalsContact O-ND2 3.16Å |
| 1203 | N | 38.8 | Very low | 40.6 | Very low | 120 Ų | 120 | 99.4 Ų | 99.4 | 64% | 0.642 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.3 | -46.9 | 171 | -106.3 | 11.7 | 0 | 0 | 0 | 111.8 | A1199 N1205 N1206 | A1199-N1203 PolarHBondContact O-N 3.1Å; N1203-N1205 PolarHBondContact O-N 3.12Å; N1203-N1206 PolarHBondContact O-N 3.33Å |
| 1204 | N | 39.1 | Very low | 38.9 | Very low | 127 Ų | 127 | 105.8 Ų | 105.8 | 68% | 0.679 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.2 | -11.7 | -177.2 | -70.8 | 10.4 | 0 | 0 | 0 | 114 | I1200 | I1200-N1204 WeakPolarHBondContact O-CB 3.42Å; I1200-N1204 VanDerWaalsContact O-CG 3.3Å; I1200-N1204 PolarHBondContact O-N 2.81Å; I1200-N1204 VanDerWaalsContact O-N 3.12Å; I1200-N1204 PolarHBondContact O-OD1 2.87Å |
| 1205 | N | 37.3 | Very low | 37.3 | Very low | 98 Ų | 98 | 110 Ų | 110 | 52% | 0.524 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.1 | -2.7 | 177.5 | -74.9 | -2.8 | 0 | 0 | 0 | 114.1 | S1201 F1202 N1203 | S1201-N1205 WeakPolarHBondContact O-CB 3.47Å; S1201-N1205 VanDerWaalsContact O-CG 3.29Å; S1201-N1205 PolarHBondContact O-N 3.49Å; F1202-N1205 PolarHBondContact O-N 3.33Å; N1203-N1205 PolarHBondContact O-N 3.12Å |
| 1206 | N | 33.2 | Very low | 36 | Very low | 96 Ų | 96 | 112.3 Ų | 112.3 | 51% | 0.513 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -99 | -6.2 | -175.3 | -79.4 | -21.5 | 0 | 0 | 0 | 115.1 | F1202 N1203 | F1202-N1206 VanDerWaalsContact O-CG 3.3Å; F1202-N1206 PolarHBondContact O-ND2 3.48Å; F1202-N1206 VanDerWaalsContact O-ND2 3.16Å; N1203-N1206 PolarHBondContact O-N 3.33Å |
| 1207 | N | 31.7 | Very low | 34.8 | Very low | 153 Ų | 153 | 116 Ų | 116 | 82% | 0.818 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -96.2 | 28 | -179.5 | -79.8 | -5.6 | 0 | 0 | 0 | 114.6 | ||
| 1208 | I | 29.1 | Very low | 33.9 | Very low | 167 Ų | 167 | 122.8 Ų | 122.8 | 86% | 0.856 | 65% | 0.646 | S | S | * | * | trans | -131.3 | 69.6 | 159.7 | -49.1 | -178.9 | 0 | 0 | 0 | 109.1 | ||||
| 1209 | I | 29.5 | Very low | 33 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 60% | 0.6 | 66% | 0.658 | S | S | * | * | trans | -119.2 | 111.7 | 162.6 | -56.2 | -175.8 | 0 | 0 | 0 | 108.4 | L1211 | I1209-L1211 VanDerWaalsContact C-N 3.28Å; I1209-L1211 HydrophobicContact CG2-CD2 4.05Å; I1209-L1211 HydrophobicContact CG2-CG 3.94Å; I1209-L1211 PolarHBondContact O-N 2.88Å | ||
| 1210 | H | 26.3 | Very low | 32.2 | Very low | 159 Ų | 159 | 129.7 Ų | 129.7 | 74% | 0.736 | 68% | 0.676 | S | S | * | * | trans | -73.9 | 76.6 | 178.2 | -176.9 | -86.5 | 0 | 0 | 0 | 110.5 | T1212 | H1210-T1212 VanDerWaalsContact C-N 3.25Å; H1210-T1212 WeakPolarHBondContact CE1-CG2 3.27Å; H1210-T1212 PolarHBondContact O-N 2.77Å | ||
| 1211 | L | 27.4 | Very low | 31.7 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | trans | -75.2 | 71.3 | 178.8 | -75.3 | 178.7 | 0 | 0 | 0 | 112.5 | I1209 S1213 | I1209-L1211 VanDerWaalsContact C-N 3.28Å; I1209-L1211 HydrophobicContact CG2-CD2 4.05Å; I1209-L1211 HydrophobicContact CG2-CG 3.94Å; I1209-L1211 PolarHBondContact O-N 2.88Å; L1211-S1213 PolarHBondContact O-N 2.76Å | ||
| 1212 | T | 25.8 | Very low | 31 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | trans | -63.4 | 100.7 | 154.8 | 41 | 0 | 0 | 0 | 0 | 108.9 | H1210 | H1210-T1212 VanDerWaalsContact C-N 3.25Å; H1210-T1212 WeakPolarHBondContact CE1-CG2 3.27Å; H1210-T1212 PolarHBondContact O-N 2.77Å | ||
| 1213 | S | 29 | Very low | 30.7 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | trans | -136.3 | 48.9 | -175.4 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | L1211 K1215 | L1211-S1213 PolarHBondContact O-N 2.76Å; S1213-K1215 PolarHBondContact O-N 3.13Å | ||
| 1214 | E | 28.4 | Very low | 30.1 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 92% | 0.921 | 73% | 0.729 | S | S | * | * | trans | -66.1 | 113 | 165.7 | -68.2 | -166 | 137.6 | 0 | 0 | 109.9 | ||||
| 1215 | K | 30.8 | Very low | 29.7 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | trans | -86 | 137.5 | 164.4 | -86 | -178.4 | 176 | 173.6 | 0 | 109.1 | S1213 | S1213-K1215 PolarHBondContact O-N 3.13Š| ||
| 1216 | P | 28.9 | Very low | 29.3 | Very low | 107 Ų | 107 | 141 Ų | 141 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | trans | -92 | 165 | -166.7 | 37 | -38.8 | 0 | 0 | 0 | 114.5 | ||||
| 1217 | N | 30.1 | Very low | 28.9 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | trans | 89.1 | 123 | 151 | -61 | -30.4 | 0 | 0 | 0 | 121 | ||||
| 1218 | H | 30.6 | Very low | 28.7 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | trans | 66.1 | 138.6 | 147.7 | -61 | -45.5 | 0 | 0 | 0 | 118.9 | ||||
| 1219 | S | 28.7 | Very low | 28.7 | Very low | 85 Ų | 85 | 140.3 Ų | 140.3 | 59% | 0.594 | 75% | 0.746 | S | S | * | * | cis | -178.8 | 158.5 | -4.7 | 48.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1220 | H | 28.8 | Very low | 28.7 | Very low | 184 Ų | 184 | 142 Ų | 142 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | trans | 66.2 | 146.6 | 167.2 | -66.7 | -73.7 | 0 | 0 | 0 | 117.1 | ||||
| 1221 | A | 32.3 | Very low | 29.1 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 60% | 0.603 | 75% | 0.748 | S | S | * | * | cis | -160.2 | 153 | -17.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1222 | N | 26.2 | Very low | 29.1 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | trans | 24 | 121.5 | 147.6 | -50.7 | 0.1 | 0 | 0 | 0 | 120.7 | ||||
| 1223 | S | 33.1 | Very low | 29.5 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | -163.2 | 128.8 | 114.6 | 56.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1224 | E | 26.2 | Very low | 29.4 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | -83.2 | 151.5 | 175.5 | -56.7 | 164.4 | 89.1 | 0 | 0 | 112.5 | ||||
| 1225 | I | 31.2 | Very low | 29.6 | Very low | 176 Ų | 176 | 138 Ų | 138 | 90% | 0.903 | 74% | 0.737 | S | S | * | * | trans | -167.2 | 122.2 | 139.5 | -86.1 | 134 | 0 | 0 | 0 | 105.1 | ||||
| 1226 | K | 28 | Very low | 29.7 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | cis | 116.4 | 91.5 | 0.2 | -165.9 | 176.2 | -178.5 | 166.3 | 0 | 114.8 | ||||
| 1227 | L | 26 | Very low | 29.6 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | trans | 65.4 | 170.5 | 157 | -53 | 171.2 | 0 | 0 | 0 | 115.1 | ||||
| 1228 | S | 27.2 | Very low | 29.5 | Very low | 91 Ų | 91 | 135.5 Ų | 135.5 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | cis | -157.8 | 150.2 | 10.9 | -22.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1229 | H | 27.7 | Very low | 29.3 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | trans | 59.1 | 174.4 | 144.8 | -76.5 | -134.4 | 0 | 0 | 0 | 116 | ||||
| 1230 | E | 29.4 | Very low | 29.2 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | cis | -157.2 | 165.3 | -0.6 | -132.5 | 151.5 | -146.2 | 0 | 0 | 106.2 | ||||
| 1231 | L | 35.5 | Very low | 29.2 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 68% | 0.681 | 71% | 0.713 | S | S | * | * | cis | -170.4 | 154.1 | 42.4 | -111.7 | 166.9 | 0 | 0 | 0 | 109.1 | ||||
| 1232 | N | 27.3 | Very low | 29.2 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | trans | 34.5 | 156.9 | 136.5 | -69.3 | 19.8 | 0 | 0 | 0 | 123.5 | ||||
| 1233 | E | 33.9 | Very low | 29.4 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 73% | 0.729 | 71% | 0.708 | S | S | * | * | cis | -149.4 | 134.9 | 4.9 | -110.2 | 139.1 | -139.7 | 0 | 0 | 106.4 | ||||
| 1234 | S | 28.4 | Very low | 29.3 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 67% | 0.671 | 70% | 0.696 | S | S | * | * | 89.1 | 156.8 | 61.3 | 94.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1235 | V | 31.6 | Very low | 29.5 | Very low | 124 Ų | 124 | 132 Ų | 132 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | trans | 73.9 | 130.7 | 164.7 | 167.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 1236 | D | 33.2 | Very low | 29.4 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 66% | 0.658 | 68% | 0.681 | S | S | * | * | cis | -165.7 | 151.7 | -7.7 | -122 | -6 | 0 | 0 | 0 | 117 | ||||
| 1237 | I | 27.1 | Very low | 29.5 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 62% | 0.621 | 68% | 0.681 | S | S | * | * | trans | 58.4 | 119.6 | 132.1 | -80.7 | 172.8 | 0 | 0 | 0 | 124.5 | ||||
| 1238 | N | 26.4 | Very low | 29.7 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | trans | 53.8 | 154.6 | 138.5 | -51.7 | -16 | 0 | 0 | 0 | 120.3 | ||||
| 1239 | N | 27.2 | Very low | 29.9 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 68% | 0.684 | 68% | 0.679 | S | S | * | * | cis | 176.6 | 172.7 | 32.9 | -140.6 | -16.6 | 0 | 0 | 0 | 110.5 | ||||
| 1240 | I | 27.8 | Very low | 30.2 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 68% | 0.677 | 68% | 0.679 | S | S | * | * | trans | 68.8 | 128.4 | 155.2 | -65.1 | 158.2 | 0 | 0 | 0 | 117.6 | ||||
| 1241 | V | 28.2 | Very low | 30.3 | Very low | 105 Ų | 105 | 128 Ų | 128 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | cis | 143.3 | 165.1 | -9.8 | 157.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1242 | F | 32.1 | Very low | 30.3 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 72% | 0.719 | 68% | 0.679 | S | S | * | * | trans | 94.1 | 107.9 | 177.7 | -57 | -71.4 | 0 | 0 | 0 | 114.3 | ||||
| 1243 | N | 29.6 | Very low | 30.6 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 64% | 0.642 | 68% | 0.675 | S | S | * | * | 95.2 | 143.8 | 57 | -79.1 | 17.7 | 0 | 0 | 0 | 110.8 | |||||
| 1244 | N | 30.7 | Very low | 30.7 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 60% | 0.599 | 68% | 0.678 | S | S | * | * | cis | -167 | 143.5 | 5.3 | -112.8 | -8.5 | 0 | 0 | 0 | 111.6 | ||||
| 1245 | N | 31.2 | Very low | 31 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 68% | 0.679 | 68% | 0.677 | S | S | * | * | trans | 62.7 | 158.1 | 134.1 | -56 | -10.9 | 0 | 0 | 0 | 120.4 | ||||
| 1246 | N | 30.1 | Very low | 31.2 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 66% | 0.663 | 68% | 0.675 | S | S | * | * | cis | -168 | 157.9 | 4.2 | -126.5 | 3.6 | 0 | 0 | 0 | 114.5 | ||||
| 1247 | I | 29 | Very low | 31.4 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 66% | 0.656 | 67% | 0.671 | S | S | * | * | trans | 43.1 | 141.7 | 132.3 | -83.9 | 173.8 | 0 | 0 | 0 | 121.6 | ||||
| 1248 | H | 31 | Very low | 31.7 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | cis | -162.9 | 134.1 | -1.5 | -107.6 | -40.4 | 0 | 0 | 0 | 109.2 | ||||
| 1249 | T | 30.8 | Very low | 32.1 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 70% | 0.699 | 68% | 0.676 | S | S | * | * | 66 | 138.6 | 92.7 | 65.6 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1250 | E | 33.2 | Very low | 32.3 | Very low | 161 Ų | 161 | 129.8 Ų | 129.8 | 75% | 0.752 | 68% | 0.675 | S | S | * | * | trans | 117.3 | 112.4 | 146.1 | -62.9 | -144.6 | 104.5 | 0 | 0 | 122.8 | ||||
| 1251 | N | 33.1 | Very low | 32.5 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 66% | 0.663 | 68% | 0.677 | S | S | * | * | trans | 59.8 | 170.2 | 135 | -36.2 | -30.3 | 0 | 0 | 0 | 121.2 | ||||
| 1252 | D | 34.8 | Very low | 32.8 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | cis | -158.2 | 136.6 | -2.3 | -149.1 | 32 | 0 | 0 | 0 | 115.7 | ||||
| 1253 | V | 34.2 | Very low | 33 | Very low | 91 Ų | 91 | 129.6 Ų | 129.6 | 55% | 0.552 | 68% | 0.679 | S | S | * | * | trans | 65.2 | 130.5 | 130.8 | 157.4 | 0 | 0 | 0 | 0 | 127.9 | ||||
| 1254 | K | 35.9 | Very low | 33.3 | Very low | 186 Ų | 186 | 128.3 Ų | 128.3 | 81% | 0.809 | 68% | 0.679 | S | S | * | * | trans | 69.4 | 158.6 | 151.1 | -79.7 | 164.6 | -150.6 | 136.7 | 0 | 120.2 | ||||
| 1255 | S | 34.5 | Very low | 33.5 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | cis | -159.9 | 154.2 | 2 | -136.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1256 | T | 36.1 | Very low | 33.7 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 69% | 0.693 | 69% | 0.69 | S | S | * | * | trans | 14.6 | 155.3 | 137.3 | 58.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1257 | D | 36 | Very low | 33.9 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 57% | 0.572 | 69% | 0.687 | S | S | * | * | cis | -174.7 | 163.4 | 26.2 | -134.4 | -12.4 | 0 | 0 | 0 | 114.9 | ||||
| 1258 | R | 34 | Very low | 34 | Very low | 200 Ų | 200 | 127.1 Ų | 127.1 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | 67.9 | 159.5 | 148.8 | -63.3 | 170.2 | -152 | -132 | -7.3 | 122.1 | ||||
| 1259 | L | 34 | Very low | 34.2 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 69% | 0.691 | 68% | 0.681 | S | S | * | * | cis | -162.5 | 133.2 | -18.3 | -103.6 | 165.5 | 0 | 0 | 0 | 113.3 | ||||
| 1260 | T | 31.6 | Very low | 34.4 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 67% | 0.669 | 68% | 0.675 | S | S | * | * | trans | 25.7 | 139.8 | 138.2 | 59.6 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 1261 | N | 32.8 | Very low | 34.5 | Very low | 131 Ų | 131 | 125 Ų | 125 | 70% | 0.701 | 67% | 0.674 | S | S | * | * | 108.8 | 151.1 | 119.7 | -96 | 49.3 | 0 | 0 | 0 | 124.9 | |||||
| 1262 | D | 34.8 | Very low | 34.7 | Very low | 126 Ų | 126 | 125 Ų | 125 | 67% | 0.674 | 67% | 0.674 | S | S | * | * | trans | 77.7 | 147.7 | 151.3 | -64.9 | -5.5 | 0 | 0 | 0 | 122 | ||||
| 1263 | I | 35.5 | Very low | 34.6 | Very low | 141 Ų | 141 | 124.6 Ų | 124.6 | 72% | 0.723 | 67% | 0.671 | S | S | * | * | cis | -167.8 | 151.8 | -33.6 | -126.8 | 171 | 0 | 0 | 0 | 112.1 | ||||
| 1264 | S | 35.4 | Very low | 34.6 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 65% | 0.65 | 68% | 0.682 | S | S | * | * | trans | 72.7 | 129.6 | 153.5 | 69.7 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 1265 | N | 35.6 | Very low | 34.6 | Very low | 143 Ų | 143 | 126 Ų | 126 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | 82.7 | 125.3 | 123.5 | -65.1 | 3.3 | 0 | 0 | 0 | 127 | |||||
| 1266 | N | 34.8 | Very low | 34.5 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | trans | 81.4 | 102.9 | 130.8 | -73.5 | 14.2 | 0 | 0 | 0 | 125.1 | ||||
| 1267 | S | 34.2 | Very low | 34.4 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | 84.7 | 111.1 | 107.8 | -57.5 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1268 | N | 31.4 | Very low | 34.2 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 51% | 0.513 | 71% | 0.708 | S | S | . | * | 83.8 | 146.6 | 127 | -62.8 | -4.5 | 0 | 0 | 0 | 122.1 | Y550 | Y550-N1268 HydrophobicContact CD2-CB 4.04Å; Y550-N1268 VanDerWaalsContact CD2-CG 3.5Å; Y550-N1268 WeakPolarHBondContact CD2-OD1 3.4Å; Y550-N1268 HydrophobicContact CE2-CB 3.96Å | |||
| 1269 | S | 34.9 | Very low | 34 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 69% | 0.685 | 70% | 0.704 | S | S | * | * | trans | 69.8 | 146.9 | 168.3 | 79.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 1270 | H | 34.7 | Very low | 34 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 58% | 0.579 | 71% | 0.706 | S | S | * | * | cis | -163.3 | 145.5 | -19.5 | -141.5 | -72.1 | 0 | 0 | 0 | 106.8 | ||||
| 1271 | E | 35.3 | Very low | 34.1 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | trans | 58.1 | 153.1 | 158 | -84.2 | 154.5 | -151.6 | 0 | 0 | 118.7 | ||||
| 1272 | D | 37.3 | Very low | 34.3 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 67% | 0.674 | 70% | 0.704 | S | S | * | * | cis | -159.9 | 145.5 | -24.9 | -140.1 | 33.7 | 0 | 0 | 0 | 110 | ||||
| 1273 | N | 34.5 | Very low | 34.3 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 67% | 0.674 | 71% | 0.706 | S | S | * | * | trans | 68.3 | 149.3 | 168.7 | -53.9 | -72.8 | 0 | 0 | 0 | 120.1 | ||||
| 1274 | N | 34.4 | Very low | 34.4 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | trans | 67.2 | 98.8 | 167.9 | -50.2 | -35.1 | 0 | 0 | 0 | 118.3 | ||||
| 1275 | D | 34.9 | Very low | 34.3 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 87% | 0.866 | 70% | 0.699 | S | S | * | * | -177.1 | 88.2 | 112.1 | -95.6 | -9.9 | 0 | 0 | 0 | 112.3 | Q1277 | D1275-Q1277 PolarHBondContact O-N 3.32Š| |||
| 1276 | D | 31.5 | Very low | 34.3 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 89% | 0.893 | 69% | 0.693 | S | S | * | * | trans | -75.4 | 78.6 | 173.6 | -80.5 | -56 | 0 | 0 | 0 | 112.1 | ||||
| 1277 | Q | 34.1 | Very low | 34.3 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 85% | 0.846 | 69% | 0.687 | S | S | * | * | trans | -155.3 | 11.6 | 170.1 | -131.4 | 162.7 | 97.7 | 0 | 0 | 122.3 | D1275 | D1275-Q1277 PolarHBondContact O-N 3.32Š| ||
| 1278 | H | 31.9 | Very low | 34.6 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -144.1 | 48.8 | 179.6 | -139.5 | -89.3 | 0 | 0 | 0 | 121.2 | R1281 | H1278-R1281 PolarHBondContact NE2-NH2 2.81Š|
| 1279 | C | 30.4 | Very low | 34.8 | Very low | 100 Ų | 100 | 137 Ų | 137 | 68% | 0.676 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -146.4 | 33.9 | 152.9 | -145.4 | 0 | 0 | 0 | 0 | 116.8 | R1281 | C1279-R1281 VanDerWaalsContact C-N 3.35Š|
| 1280 | H | 33.9 | Very low | 35 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 74% | 0.736 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -92.2 | 10.1 | 169.5 | -109 | 42.7 | 0 | 0 | 0 | 114.2 | ||
| 1281 | R | 34.5 | Very low | 34.9 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 63% | 0.63 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -101.8 | -1.3 | -174.4 | -143.2 | -173.3 | -60.2 | -88.7 | 4 | 115.1 | H1278 C1279 | H1278-R1281 PolarHBondContact NE2-NH2 2.81Å; C1279-R1281 VanDerWaalsContact C-N 3.35Å |
| 1282 | Q | 35.2 | Very low | 34.9 | Very low | 150 Ų | 150 | 132 Ų | 132 | 70% | 0.701 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -112.3 | -33.8 | -177.3 | -141 | 82.1 | 40.6 | 0 | 0 | 114 | Q1284 Y1285 | Q1282-Q1284 VanDerWaalsContact C-N 3.32Å; Q1282-Q1284 PolarHBondContact O-N 2.86Å; Q1282-Y1285 PolarHBondContact O-N 3.49Å |
| 1283 | Q | 36.5 | Very low | 35 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 71% | 0.71 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -23.1 | 175.9 | -76.9 | -178.6 | -24.6 | 0 | 0 | 113.2 | Y1285 H1286 Q1287 | Q1283-Y1285 PolarHBondContact O-N 2.91Å; Q1283-H1286 PolarHBondContact O-N 3.28Å; Q1283-Q1287 PolarHBondContact O-N 3.47Å |
| 1284 | Q | 37 | Very low | 35 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 49% | 0.491 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -60.8 | -27.2 | 175.4 | -72.3 | -174.4 | -26.4 | 0 | 0 | 113 | Q1282 H1286 I1288 | Q1282-Q1284 VanDerWaalsContact C-N 3.32Å; Q1282-Q1284 PolarHBondContact O-N 2.86Å; Q1284-H1286 VanDerWaalsContact C-N 3.3Å; Q1284-H1286 PolarHBondContact O-N 3.12Å; Q1284-I1288 HydrophobicContact CB-CD1 4Å; Q1284-I1288 WeakPolarHBondContact O-CB 3.43Å; Q1284-I1288 WeakPolarHBondContact O-CG1 3.29Å; Q1284-I1288 PolarHBondContact O-N 2.89Å |
| 1285 | Y | 32.5 | Very low | 34.9 | Very low | 188 Ų | 188 | 132.1 Ų | 132.1 | 74% | 0.737 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -77.9 | -3.5 | -178.5 | -93.3 | -76.9 | 0 | 0 | 0 | 116.1 | Q1282 Q1283 | Q1282-Y1285 PolarHBondContact O-N 3.49Å; Q1283-Y1285 PolarHBondContact O-N 2.91Å |
| 1286 | H | 35.8 | Very low | 34.8 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 64% | 0.644 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -111.1 | -28.8 | 168.2 | -143.8 | 48.9 | 0 | 0 | 0 | 112.4 | Q1283 Q1284 | Q1283-H1286 PolarHBondContact O-N 3.28Å; Q1284-H1286 VanDerWaalsContact C-N 3.3Å; Q1284-H1286 PolarHBondContact O-N 3.12Å |
| 1287 | Q | 36.1 | Very low | 34.9 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 62% | 0.617 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.9 | -30.2 | 174.8 | -160.6 | 167.2 | 6.1 | 0 | 0 | 112.9 | Q1283 M1291 | Q1283-Q1287 PolarHBondContact O-N 3.47Å; Q1287-M1291 WeakPolarHBondContact O-CB 3.49Å; Q1287-M1291 WeakPolarHBondContact O-CG 3.46Å; Q1287-M1291 PolarHBondContact O-N 2.98Å |
| 1288 | I | 39.1 | Very low | 34.9 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 50% | 0.497 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -73.1 | -28.5 | 174.6 | -68.8 | 172 | 0 | 0 | 0 | 112 | Q1284 S1292 | Q1284-I1288 HydrophobicContact CB-CD1 4Å; Q1284-I1288 WeakPolarHBondContact O-CB 3.43Å; Q1284-I1288 WeakPolarHBondContact O-CG1 3.29Å; Q1284-I1288 PolarHBondContact O-N 2.89Å; I1288-S1292 VanDerWaalsContact O-CB 3.26Å; I1288-S1292 WeakPolarHBondContact O-CB 3.31Å; I1288-S1292 PolarHBondContact O-N 3.17Å; I1288-S1292 PolarHBondContact O-OG 2.78Å |
| 1289 | D | 36.6 | Very low | 34.8 | Very low | 62 Ų | 62 | 122.4 Ų | 122.4 | 33% | 0.332 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.4 | -44.9 | 174.8 | -172.2 | 51.6 | 0 | 0 | 0 | 111.2 | S1292 K1293 | D1289-S1292 PolarHBondContact O-OG 3.35Å; D1289-K1293 WeakPolarHBondContact O-CB 3.33Å; D1289-K1293 WeakPolarHBondContact O-CG 3.19Å; D1289-K1293 PolarHBondContact O-N 2.79Å; D1289-K1293 WeakPolarHBondContact OD1-CE 3.24Å; D1289-K1293 IonicContact OD1-NZ 3.12Å; D1289-K1293 PolarHBondContact OD1-NZ 3.2Å; D1289-K1293 IonicContact OD2-NZ 3.05Å; D1289-K1293 PolarHBondContact OD2-NZ 2.84Å |
| 1290 | L | 38.1 | Very low | 35.1 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 53% | 0.529 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.1 | -34.4 | 172.5 | -86.2 | 110.8 | 0 | 0 | 0 | 113.7 | L1294 | L1290-L1294 WeakPolarHBondContact O-CB 3.35Å; L1290-L1294 WeakPolarHBondContact O-CG 3.19Å; L1290-L1294 PolarHBondContact O-N 2.67Å |
| 1291 | M | 33.5 | Very low | 35 | Very low | 114 Ų | 114 | 121 Ų | 121 | 56% | 0.562 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -83.4 | -9 | 177.5 | -71.9 | -148.3 | 72.7 | 0 | 0 | 115 | Q1287 N1295 | Q1287-M1291 WeakPolarHBondContact O-CB 3.49Å; Q1287-M1291 WeakPolarHBondContact O-CG 3.46Å; Q1287-M1291 PolarHBondContact O-N 2.98Å; M1291-N1295 WeakPolarHBondContact O-CB 3.48Å; M1291-N1295 PolarHBondContact O-ND2 3.32Å |
| 1292 | S | 34.6 | Very low | 34.8 | Very low | 58 Ų | 58 | 116.7 Ų | 116.7 | 41% | 0.406 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -92.6 | -38.3 | 167.8 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | I1288 D1289 L1294 N1295 | I1288-S1292 VanDerWaalsContact O-CB 3.26Å; I1288-S1292 WeakPolarHBondContact O-CB 3.31Å; I1288-S1292 PolarHBondContact O-N 3.17Å; I1288-S1292 PolarHBondContact O-OG 2.78Å; D1289-S1292 PolarHBondContact O-OG 3.35Å; S1292-L1294 PolarHBondContact O-N 3.45Å; S1292-N1295 PolarHBondContact O-N 2.86Å; S1292-N1295 VanDerWaalsContact O-N 3.08Å |
| 1293 | K | 40 | Very low | 34.8 | Very low | 142 Ų | 142 | 117.2 Ų | 117.2 | 62% | 0.617 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.4 | -16.8 | 173.2 | -72.3 | 168.6 | 178.6 | 163.6 | 0 | 114.3 | D1289 | D1289-K1293 WeakPolarHBondContact O-CB 3.33Å; D1289-K1293 WeakPolarHBondContact O-CG 3.19Å; D1289-K1293 PolarHBondContact O-N 2.79Å; D1289-K1293 WeakPolarHBondContact OD1-CE 3.24Å; D1289-K1293 IonicContact OD1-NZ 3.12Å; D1289-K1293 PolarHBondContact OD1-NZ 3.2Å; D1289-K1293 IonicContact OD2-NZ 3.05Å; D1289-K1293 PolarHBondContact OD2-NZ 2.84Å |
| 1294 | L | 34.5 | Very low | 34.6 | Very low | 146 Ų | 146 | 117.3 Ų | 117.3 | 76% | 0.764 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 10.5 | 172.1 | -69.8 | 172.3 | 0 | 0 | 0 | 114.2 | L1290 S1292 | L1290-L1294 WeakPolarHBondContact O-CB 3.35Å; L1290-L1294 WeakPolarHBondContact O-CG 3.19Å; L1290-L1294 PolarHBondContact O-N 2.67Å; S1292-L1294 PolarHBondContact O-N 3.45Å |
| 1295 | N | 31.4 | Very low | 34.2 | Very low | 110 Ų | 110 | 121.7 Ų | 121.7 | 59% | 0.588 | 61% | 0.605 | S | S | * | * | trans | -116.4 | 15.4 | -179.5 | -103 | -56.3 | 0 | 0 | 0 | 114.5 | M1291 S1292 S1297 | M1291-N1295 WeakPolarHBondContact O-CB 3.48Å; M1291-N1295 PolarHBondContact O-ND2 3.32Å; S1292-N1295 PolarHBondContact O-N 2.86Å; S1292-N1295 VanDerWaalsContact O-N 3.08Å; N1295-S1297 PolarHBondContact O-N 3.33Å | ||
| 1296 | L | 33.9 | Very low | 34.1 | Very low | 152 Ų | 152 | 120.2 Ų | 120.2 | 80% | 0.796 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -70.3 | 96.9 | 168.8 | -98.1 | 73.4 | 0 | 0 | 0 | 110.5 | ||
| 1297 | S | 34.2 | Very low | 33.9 | Very low | 41 Ų | 41 | 120.8 Ų | 120.8 | 29% | 0.287 | 62% | 0.616 | S | S | . | * | trans | 66.6 | 72.1 | 145.2 | -151.7 | 0 | 0 | 0 | 0 | 118 | N1295 N1299 E1300 C1301 | N1295-S1297 PolarHBondContact O-N 3.33Å; S1297-N1299 PolarHBondContact O-N 3.06Å; S1297-N1299 VanDerWaalsContact O-N 3.09Å; S1297-E1300 WeakPolarHBondContact CB-OE2 3.49Å; S1297-E1300 PolarHBondContact O-N 3.44Å; S1297-E1300 WeakPolarHBondContact OG-CB 3.23Å; S1297-E1300 VanDerWaalsContact OG-CD 3.32Å; S1297-E1300 VanDerWaalsContact OG-CG 3.23Å; S1297-E1300 WeakPolarHBondContact OG-CG 3.45Å; S1297-E1300 PolarHBondContact OG-N 2.88Å; S1297-E1300 PolarHBondContact OG-OE2 2.94Å; S1297-C1301 PolarHBondContact O-N 2.84Å | ||
| 1298 | I | 32.4 | Very low | 33.8 | Very low | 136 Ų | 136 | 118.4 Ų | 118.4 | 70% | 0.697 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -15.3 | 154.7 | -67.9 | 173.8 | 0 | 0 | 0 | 111.7 | N1302 | I1298-N1302 PolarHBondContact O-ND2 3.4Š|
| 1299 | N | 30.7 | Very low | 33.6 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -36.9 | 174 | -80.3 | -9.2 | 0 | 0 | 0 | 114.3 | S1297 N1302 | S1297-N1299 PolarHBondContact O-N 3.06Å; S1297-N1299 VanDerWaalsContact O-N 3.09Å; N1299-N1302 PolarHBondContact O-N 3.45Å |
| 1300 | E | 36.8 | Very low | 33.8 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.1 | -32 | 177.1 | -78.4 | 161.9 | 137.8 | 0 | 0 | 112 | S1297 N1302 Q1303 | S1297-E1300 WeakPolarHBondContact CB-OE2 3.49Å; S1297-E1300 PolarHBondContact O-N 3.44Å; S1297-E1300 WeakPolarHBondContact OG-CB 3.23Å; S1297-E1300 VanDerWaalsContact OG-CD 3.32Å; S1297-E1300 VanDerWaalsContact OG-CG 3.23Å; S1297-E1300 WeakPolarHBondContact OG-CG 3.45Å; S1297-E1300 PolarHBondContact OG-N 2.88Å; S1297-E1300 PolarHBondContact OG-OE2 2.94Å; E1300-N1302 PolarHBondContact O-N 3.06Å; E1300-N1302 VanDerWaalsContact O-N 3.13Å; E1300-Q1303 PolarHBondContact O-N 3.33Å; E1300-Q1303 VanDerWaalsContact O-N 3.12Å |
| 1301 | C | 30.9 | Very low | 33.7 | Very low | 99 Ų | 99 | 121.2 Ų | 121.2 | 67% | 0.669 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.9 | -18.1 | 173.1 | -160.9 | 0 | 0 | 0 | 0 | 113.5 | S1297 | S1297-C1301 PolarHBondContact O-N 2.84Å |
| 1302 | N | 31.8 | Very low | 34 | Very low | 77 Ų | 77 | 121.9 Ų | 121.9 | 41% | 0.412 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -88.4 | -17.5 | 175.7 | -79.8 | -67.2 | 0 | 0 | 0 | 114.1 | I1298 N1299 E1300 L1304 R1305 | I1298-N1302 PolarHBondContact O-ND2 3.4Å; N1299-N1302 PolarHBondContact O-N 3.45Å; E1300-N1302 PolarHBondContact O-N 3.06Å; E1300-N1302 VanDerWaalsContact O-N 3.13Å; N1302-L1304 VanDerWaalsContact C-N 3.34Å; N1302-R1305 WeakPolarHBondContact O-CB 3.38Å |
| 1303 | Q | 34.6 | Very low | 34.2 | Very low | 160 Ų | 160 | 123 Ų | 123 | 75% | 0.748 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.8 | -22.5 | 177 | -73.1 | -81.7 | 68.2 | 0 | 0 | 113.1 | E1300 R1305 | E1300-Q1303 PolarHBondContact O-N 3.33Å; E1300-Q1303 VanDerWaalsContact O-N 3.12Å; Q1303-R1305 VanDerWaalsContact C-N 3.33Å |
| 1304 | L | 31.2 | Very low | 34.1 | Very low | 155 Ų | 155 | 121.9 Ų | 121.9 | 81% | 0.812 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 7.3 | 177.9 | -66.2 | 174.7 | 0 | 0 | 0 | 113.7 | N1302 L1306 | N1302-L1304 VanDerWaalsContact C-N 3.34Å; L1304-L1306 VanDerWaalsContact C-N 3.26Å; L1304-L1306 PolarHBondContact O-N 3.44Å |
| 1305 | R | 29.6 | Very low | 34.3 | Very low | 197 Ų | 197 | 123.7 Ų | 123.7 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 21.2 | -173.2 | -150.7 | 175.3 | -174.1 | 159.7 | 3.3 | 114.7 | N1302 Q1303 | N1302-R1305 WeakPolarHBondContact O-CB 3.38Å; Q1303-R1305 VanDerWaalsContact C-N 3.33Å |
| 1306 | L | 31 | Very low | 34.7 | Very low | 156 Ų | 156 | 123.7 Ų | 123.7 | 82% | 0.817 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.4 | 30.9 | -171.8 | -71.5 | 175.1 | 0 | 0 | 0 | 114.6 | L1304 | L1304-L1306 VanDerWaalsContact C-N 3.26Å; L1304-L1306 PolarHBondContact O-N 3.44Å |
| 1307 | L | 30.8 | Very low | 34.9 | Very low | 151 Ų | 151 | 124.6 Ų | 124.6 | 79% | 0.791 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -130.1 | 128.5 | 166.3 | -72.6 | 174.3 | 0 | 0 | 0 | 111 | S1309 | L1307-S1309 PolarHBondContact O-N 3.32Š|
| 1308 | P | 34 | Very low | 35.2 | Very low | 82 Ų | 82 | 129 Ų | 129 | 53% | 0.532 | 65% | 0.646 | S | S | . | * | trans | -74.1 | 124.5 | 179.4 | 29.7 | -33.2 | 0 | 0 | 0 | 111 | N1310 D1311 | P1308-N1310 PolarHBondContact O-N 3.23Å; P1308-D1311 PolarHBondContact O-N 3.24Å; P1308-D1311 VanDerWaalsContact O-N 3.1Å | ||
| 1309 | S | 35.8 | Very low | 35.8 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 76% | 0.755 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -5.4 | -173.6 | -42.9 | 0 | 0 | 0 | 0 | 115.8 | L1307 | L1307-S1309 PolarHBondContact O-N 3.32Š|
| 1310 | N | 39.5 | Very low | 36.4 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 66% | 0.658 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -80.6 | -25.3 | 177.1 | -63.6 | -19.8 | 0 | 0 | 0 | 112.8 | P1308 R1314 | P1308-N1310 PolarHBondContact O-N 3.23Å; N1310-R1314 PolarHBondContact O-N 3.03Å; N1310-R1314 VanDerWaalsContact O-N 3.15Å |
| 1311 | D | 37 | Very low | 36.8 | Very low | 88 Ų | 88 | 121.6 Ų | 121.6 | 47% | 0.471 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73.2 | -36.4 | -175.2 | -96.4 | -21 | 0 | 0 | 0 | 112.9 | P1308 S1313 R1314 R1315 | P1308-D1311 PolarHBondContact O-N 3.24Å; P1308-D1311 VanDerWaalsContact O-N 3.1Å; D1311-S1313 VanDerWaalsContact C-N 3.28Å; D1311-S1313 PolarHBondContact O-N 2.87Å; D1311-R1314 PolarHBondContact O-N 3.11Å; D1311-R1315 WeakPolarHBondContact O-CB 3.42Å; D1311-R1315 PolarHBondContact O-N 3.39Å |
| 1312 | L | 38.7 | Very low | 37.8 | Very low | 129 Ų | 129 | 122.3 Ų | 122.3 | 68% | 0.675 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62 | -39.7 | 178.3 | -136.6 | 80.8 | 0 | 0 | 0 | 111.4 | R1315 L1316 | L1312-R1315 PolarHBondContact O-N 3.21Å; L1312-L1316 WeakPolarHBondContact O-CB 3.22Å; L1312-L1316 WeakPolarHBondContact O-CG 3.47Å; L1312-L1316 PolarHBondContact O-N 3.19Å |
| 1313 | S | 39.1 | Very low | 38.9 | Very low | 81 Ų | 81 | 124.4 Ų | 124.4 | 57% | 0.566 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.3 | -42 | 176.1 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | D1311 Y1317 | D1311-S1313 VanDerWaalsContact C-N 3.28Å; D1311-S1313 PolarHBondContact O-N 2.87Å; S1313-Y1317 WeakPolarHBondContact O-CB 3.33Å; S1313-Y1317 PolarHBondContact O-N 3.47Å; S1313-Y1317 VanDerWaalsContact O-N 3.11Å |
| 1314 | R | 38.5 | Very low | 39.9 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 45% | 0.445 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.7 | -43.7 | 173.2 | -78.6 | -172.3 | 176.8 | -125.6 | 2 | 111.8 | N1310 D1311 Y1317 F1318 | N1310-R1314 PolarHBondContact O-N 3.03Å; N1310-R1314 VanDerWaalsContact O-N 3.15Å; D1311-R1314 PolarHBondContact O-N 3.11Å; R1314-Y1317 CarbonylContact O-C 3.56Å; R1314-Y1317 WeakPolarHBondContact O-CB 3.26Å; R1314-Y1317 PolarHBondContact O-N 3.15Å; R1314-Y1317 VanDerWaalsContact O-N 3.16Å; R1314-F1318 HydrophobicContact CB-CD2 4.38Å; R1314-F1318 WeakPolarHBondContact O-CD2 3.17Å; R1314-F1318 PolarHBondContact O-N 2.79Å |
| 1315 | R | 38.5 | Very low | 41.3 | Very low | 185 Ų | 185 | 116.8 Ų | 116.8 | 70% | 0.698 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.6 | -37.3 | -174.5 | -157.8 | 157.5 | 179.2 | 163.2 | -5.5 | 112.1 | D1311 L1312 F1318 S1319 | D1311-R1315 WeakPolarHBondContact O-CB 3.42Å; D1311-R1315 PolarHBondContact O-N 3.39Å; L1312-R1315 PolarHBondContact O-N 3.21Å; R1315-F1318 PolarHBondContact O-N 3.16Å; R1315-S1319 WeakPolarHBondContact O-CB 3.41Å; R1315-S1319 PolarHBondContact O-N 3.06Å; R1315-S1319 PolarHBondContact O-OG 2.78Å |
| 1316 | L | 40.3 | Very low | 42.4 | Very low | 110 Ų | 110 | 112.6 Ų | 112.6 | 58% | 0.576 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67 | -37.1 | 168.5 | -70.6 | 169.7 | 0 | 0 | 0 | 112.5 | L1312 N1320 | L1312-L1316 WeakPolarHBondContact O-CB 3.22Å; L1312-L1316 WeakPolarHBondContact O-CG 3.47Å; L1312-L1316 PolarHBondContact O-N 3.19Å; L1316-N1320 WeakPolarHBondContact O-CB 3.25Å; L1316-N1320 VanDerWaalsContact O-CG 3.26Å; L1316-N1320 PolarHBondContact O-N 3.24Å; L1316-N1320 PolarHBondContact O-ND2 3.26Å |
| 1317 | Y | 38 | Very low | 43.3 | Very low | 171 Ų | 171 | 108.9 Ų | 108.9 | 67% | 0.671 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.2 | -38.4 | 173.8 | -125.5 | -86.7 | 0 | 0 | 0 | 112.6 | S1313 R1314 N1321 | S1313-Y1317 WeakPolarHBondContact O-CB 3.33Å; S1313-Y1317 PolarHBondContact O-N 3.47Å; S1313-Y1317 VanDerWaalsContact O-N 3.11Å; R1314-Y1317 CarbonylContact O-C 3.56Å; R1314-Y1317 WeakPolarHBondContact O-CB 3.26Å; R1314-Y1317 PolarHBondContact O-N 3.15Å; R1314-Y1317 VanDerWaalsContact O-N 3.16Å; Y1317-N1321 PolarHBondContact O-N 3.11Å; Y1317-N1321 VanDerWaalsContact O-N 3.12Å; Y1317-N1321 PolarHBondContact O-ND2 3.45Å |
| 1318 | F | 40.2 | Very low | 44.6 | Very low | 132 Ų | 132 | 107 Ų | 107 | 58% | 0.579 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.3 | -50.5 | 175.5 | -84.9 | -66.1 | 0 | 0 | 0 | 111.3 | R1314 R1315 N1320 N1321 E1322 | R1314-F1318 HydrophobicContact CB-CD2 4.38Å; R1314-F1318 WeakPolarHBondContact O-CD2 3.17Å; R1314-F1318 PolarHBondContact O-N 2.79Å; R1315-F1318 PolarHBondContact O-N 3.16Å; F1318-N1320 VanDerWaalsContact C-N 3.29Å; F1318-N1320 PolarHBondContact O-N 3.03Å; F1318-N1321 PolarHBondContact O-N 2.9Å; F1318-N1321 VanDerWaalsContact O-N 3.13Å; F1318-E1322 VanDerWaalsContact O-CB 3.24Å; F1318-E1322 WeakPolarHBondContact O-CB 3.45Å; F1318-E1322 PolarHBondContact O-N 2.59Å |
| 1319 | S | 44.4 | Very low | 45.4 | Very low | 60 Ų | 60 | 108.4 Ų | 108.4 | 42% | 0.42 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.4 | -32.1 | 178.4 | -63.9 | 0 | 0 | 0 | 0 | 113.3 | R1315 F1323 | R1315-S1319 WeakPolarHBondContact O-CB 3.41Å; R1315-S1319 PolarHBondContact O-N 3.06Å; R1315-S1319 PolarHBondContact O-OG 2.78Å; S1319-F1323 WeakPolarHBondContact O-CB 3.34Å; S1319-F1323 PolarHBondContact O-N 3.05Å |
| 1320 | N | 43.2 | Very low | 46 | Very low | 99 Ų | 99 | 106.3 Ų | 106.3 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.7 | -38.5 | 173 | -76.4 | -10.5 | 0 | 0 | 0 | 112.6 | L1316 F1318 I1324 | L1316-N1320 WeakPolarHBondContact O-CB 3.25Å; L1316-N1320 VanDerWaalsContact O-CG 3.26Å; L1316-N1320 PolarHBondContact O-N 3.24Å; L1316-N1320 PolarHBondContact O-ND2 3.26Å; F1318-N1320 VanDerWaalsContact C-N 3.29Å; F1318-N1320 PolarHBondContact O-N 3.03Å; N1320-I1324 WeakPolarHBondContact O-CB 3.5Å; N1320-I1324 WeakPolarHBondContact O-CD1 3.07Å; N1320-I1324 VanDerWaalsContact O-CG1 3.24Å; N1320-I1324 WeakPolarHBondContact O-CG1 3.21Å; N1320-I1324 PolarHBondContact O-N 2.87Å |
| 1321 | N | 46.7 | Very low | 46.2 | Very low | 73 Ų | 73 | 105 Ų | 105 | 39% | 0.39 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.2 | -40.6 | 174.3 | -74.4 | -25.4 | 0 | 0 | 0 | 111.6 | Y1317 F1318 F1323 I1324 D1325 | Y1317-N1321 PolarHBondContact O-N 3.11Å; Y1317-N1321 VanDerWaalsContact O-N 3.12Å; Y1317-N1321 PolarHBondContact O-ND2 3.45Å; F1318-N1321 PolarHBondContact O-N 2.9Å; F1318-N1321 VanDerWaalsContact O-N 3.13Å; N1321-F1323 VanDerWaalsContact C-N 3.33Å; N1321-F1323 PolarHBondContact O-N 2.84Å; N1321-I1324 CarbonylContact O-C 3.51Å; N1321-I1324 PolarHBondContact O-N 3.01Å; N1321-D1325 WeakPolarHBondContact O-CB 3.49Å; N1321-D1325 PolarHBondContact O-N 2.86Å |
| 1322 | E | 51.7 | Low | 46.5 | Very low | 113 Ų | 113 | 106 Ų | 106 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 175.6 | -173.7 | 172.7 | -156.2 | 0 | 0 | 111.4 | F1318 Q1326 | F1318-E1322 VanDerWaalsContact O-CB 3.24Å; F1318-E1322 WeakPolarHBondContact O-CB 3.45Å; F1318-E1322 PolarHBondContact O-N 2.59Å; E1322-Q1326 VanDerWaalsContact O-CB 3.23Å; E1322-Q1326 WeakPolarHBondContact O-CB 3.48Å; E1322-Q1326 WeakPolarHBondContact O-CG 3.25Å; E1322-Q1326 PolarHBondContact O-N 3.35Å |
| 1323 | F | 54.3 | Low | 46.7 | Very low | 121 Ų | 121 | 105.1 Ų | 105.1 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.5 | -38.3 | 172 | -175.9 | -106.1 | 0 | 0 | 0 | 112.8 | S1319 N1321 M1327 | S1319-F1323 WeakPolarHBondContact O-CB 3.34Å; S1319-F1323 PolarHBondContact O-N 3.05Å; N1321-F1323 VanDerWaalsContact C-N 3.33Å; N1321-F1323 PolarHBondContact O-N 2.84Å; F1323-M1327 HydrophobicContact CD1-CE 3.77Å; F1323-M1327 HydrophobicContact CD1-SD 4.44Å; F1323-M1327 HydrophobicContact CE1-CE 3.53Å; F1323-M1327 HydrophobicContact CE1-CG 4.29Å; F1323-M1327 HydrophobicContact CE1-SD 3.76Å; F1323-M1327 HydrophobicContact CZ-CE 4.39Å; F1323-M1327 HydrophobicContact CZ-CG 4.32Å; F1323-M1327 HydrophobicContact CZ-SD 4.04Å; F1323-M1327 WeakPolarHBondContact O-CB 3.45Å; F1323-M1327 WeakPolarHBondContact O-CG 3.44Å; F1323-M1327 PolarHBondContact O-N 2.79Å |
| 1324 | I | 56 | Low | 46.7 | Very low | 74 Ų | 74 | 107.2 Ų | 107.2 | 38% | 0.379 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 174.4 | -77.1 | 168.5 | 0 | 0 | 0 | 111.4 | N1320 N1321 M1327 K1328 | N1320-I1324 WeakPolarHBondContact O-CB 3.5Å; N1320-I1324 WeakPolarHBondContact O-CD1 3.07Å; N1320-I1324 VanDerWaalsContact O-CG1 3.24Å; N1320-I1324 WeakPolarHBondContact O-CG1 3.21Å; N1320-I1324 PolarHBondContact O-N 2.87Å; N1321-I1324 CarbonylContact O-C 3.51Å; N1321-I1324 PolarHBondContact O-N 3.01Å; I1324-M1327 HydrophobicContact CG1-CE 4.32Å; I1324-M1327 PolarHBondContact O-N 3.3Å; I1324-K1328 WeakPolarHBondContact O-CG 3.49Å; I1324-K1328 PolarHBondContact O-N 2.88Å |
| 1325 | D | 60.4 | Low | 46.7 | Very low | 82 Ų | 82 | 107.8 Ų | 107.8 | 44% | 0.439 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -77.3 | -33.9 | 178.4 | -69.3 | -24.1 | 0 | 0 | 0 | 111.2 | N1321 K1328 Q1329 | N1321-D1325 WeakPolarHBondContact O-CB 3.49Å; N1321-D1325 PolarHBondContact O-N 2.86Å; D1325-K1328 PolarHBondContact O-N 2.98Å; D1325-K1328 WeakPolarHBondContact OD1-CE 3.07Å; D1325-K1328 IonicContact OD1-NZ 3.01Å; D1325-K1328 PolarHBondContact OD1-NZ 3.45Å; D1325-Q1329 VanDerWaalsContact O-CB 3.32Å; D1325-Q1329 WeakPolarHBondContact O-CB 3.37Å; D1325-Q1329 PolarHBondContact O-N 3.45Å |
| 1326 | Q | 52.3 | Low | 46.5 | Very low | 109 Ų | 109 | 106 Ų | 106 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 165 | -78 | 174.3 | 17.5 | 0 | 0 | 111.8 | E1322 K1328 Q1329 T1330 | E1322-Q1326 VanDerWaalsContact O-CB 3.23Å; E1322-Q1326 WeakPolarHBondContact O-CB 3.48Å; E1322-Q1326 WeakPolarHBondContact O-CG 3.25Å; E1322-Q1326 PolarHBondContact O-N 3.35Å; Q1326-K1328 VanDerWaalsContact C-N 3.33Å; Q1326-K1328 PolarHBondContact O-N 3.28Å; Q1326-Q1329 WeakPolarHBondContact O-CB 3.17Å; Q1326-Q1329 PolarHBondContact O-N 3.1Å; Q1326-T1330 PolarHBondContact O-N 2.72Å; Q1326-T1330 PolarHBondContact O-OG1 3.48Å; Q1326-T1330 VanDerWaalsContact O-OG1 3.11Å |
| 1327 | M | 49.4 | Very low | 46.2 | Very low | 77 Ų | 77 | 108.5 Ų | 108.5 | 38% | 0.379 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.1 | -31.6 | 172.9 | -79.8 | -164.2 | -60.8 | 0 | 0 | 112.9 | F1323 I1324 T1330 N1331 | F1323-M1327 HydrophobicContact CD1-CE 3.77Å; F1323-M1327 HydrophobicContact CD1-SD 4.44Å; F1323-M1327 HydrophobicContact CE1-CE 3.53Å; F1323-M1327 HydrophobicContact CE1-CG 4.29Å; F1323-M1327 HydrophobicContact CE1-SD 3.76Å; F1323-M1327 HydrophobicContact CZ-CE 4.39Å; F1323-M1327 HydrophobicContact CZ-CG 4.32Å; F1323-M1327 HydrophobicContact CZ-SD 4.04Å; F1323-M1327 WeakPolarHBondContact O-CB 3.45Å; F1323-M1327 WeakPolarHBondContact O-CG 3.44Å; F1323-M1327 PolarHBondContact O-N 2.79Å; I1324-M1327 HydrophobicContact CG1-CE 4.32Å; I1324-M1327 PolarHBondContact O-N 3.3Å; M1327-T1330 PolarHBondContact O-OG1 3.31Å; M1327-N1331 VanDerWaalsContact O-CB 3.22Å; M1327-N1331 WeakPolarHBondContact O-CB 3.16Å; M1327-N1331 PolarHBondContact O-N 3.02Å; M1327-N1331 PolarHBondContact O-ND2 3Å |
| 1328 | K | 58.4 | Low | 46 | Very low | 112 Ų | 112 | 107.5 Ų | 107.5 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.8 | -38.3 | 170.9 | -68.9 | 167.8 | -160.5 | 157.3 | 0 | 111.7 | I1324 D1325 Q1326 N1332 | I1324-K1328 WeakPolarHBondContact O-CG 3.49Å; I1324-K1328 PolarHBondContact O-N 2.88Å; D1325-K1328 PolarHBondContact O-N 2.98Å; D1325-K1328 WeakPolarHBondContact OD1-CE 3.07Å; D1325-K1328 IonicContact OD1-NZ 3.01Å; D1325-K1328 PolarHBondContact OD1-NZ 3.45Å; Q1326-K1328 VanDerWaalsContact C-N 3.33Å; Q1326-K1328 PolarHBondContact O-N 3.28Å; K1328-N1332 WeakPolarHBondContact O-CB 3.49Å; K1328-N1332 PolarHBondContact O-N 2.94Å; K1328-N1332 PolarHBondContact O-ND2 2.81Å |
| 1329 | Q | 50.1 | Low | 45.7 | Very low | 112 Ų | 112 | 109.4 Ų | 109.4 | 52% | 0.523 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.8 | -54 | 176.4 | -163.7 | 73.3 | 36.4 | 0 | 0 | 109.3 | D1325 Q1326 N1332 E1333 | D1325-Q1329 VanDerWaalsContact O-CB 3.32Å; D1325-Q1329 WeakPolarHBondContact O-CB 3.37Å; D1325-Q1329 PolarHBondContact O-N 3.45Å; Q1326-Q1329 WeakPolarHBondContact O-CB 3.17Å; Q1326-Q1329 PolarHBondContact O-N 3.1Å; Q1329-N1332 PolarHBondContact O-N 3.23Å; Q1329-E1333 WeakPolarHBondContact CG-OE1 3.48Å; Q1329-E1333 PolarHBondContact NE2-OE1 2.69Å; Q1329-E1333 WeakPolarHBondContact O-CB 3.33Å; Q1329-E1333 WeakPolarHBondContact O-CG 3.36Å; Q1329-E1333 PolarHBondContact O-N 2.9Å |
| 1330 | T | 48.8 | Very low | 45 | Very low | 64 Ų | 64 | 114.3 Ų | 114.3 | 39% | 0.393 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.2 | -39.9 | 178.9 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | Q1326 M1327 N1332 E1333 I1334 | Q1326-T1330 PolarHBondContact O-N 2.72Å; Q1326-T1330 PolarHBondContact O-OG1 3.48Å; Q1326-T1330 VanDerWaalsContact O-OG1 3.11Å; M1327-T1330 PolarHBondContact O-OG1 3.31Å; T1330-N1332 PolarHBondContact O-N 3.29Å; T1330-E1333 PolarHBondContact O-N 2.72Å; T1330-I1334 VanDerWaalsContact O-CB 3.23Å; T1330-I1334 WeakPolarHBondContact O-CB 3.44Å; T1330-I1334 WeakPolarHBondContact O-CD1 3.34Å; T1330-I1334 WeakPolarHBondContact O-CG1 3.26Å; T1330-I1334 PolarHBondContact O-N 2.81Å |
| 1331 | N | 43.4 | Very low | 44.5 | Very low | 96 Ų | 96 | 115.3 Ų | 115.3 | 51% | 0.513 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70 | -14.3 | 175.6 | -78 | -80.3 | 0 | 0 | 0 | 113.7 | M1327 I1335 | M1327-N1331 VanDerWaalsContact O-CB 3.22Å; M1327-N1331 WeakPolarHBondContact O-CB 3.16Å; M1327-N1331 PolarHBondContact O-N 3.02Å; M1327-N1331 PolarHBondContact O-ND2 3Å; N1331-I1335 WeakPolarHBondContact O-CD1 3.34Å; N1331-I1335 WeakPolarHBondContact O-CG1 3.35Å |
| 1332 | N | 44.5 | Very low | 43.9 | Very low | 108 Ų | 108 | 117.9 Ų | 117.9 | 58% | 0.578 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -89.4 | -42 | 167.9 | -69.4 | -21 | 0 | 0 | 0 | 111.1 | K1328 Q1329 T1330 I1334 I1335 | K1328-N1332 WeakPolarHBondContact O-CB 3.49Å; K1328-N1332 PolarHBondContact O-N 2.94Å; K1328-N1332 PolarHBondContact O-ND2 2.81Å; Q1329-N1332 PolarHBondContact O-N 3.23Å; T1330-N1332 PolarHBondContact O-N 3.29Å; N1332-I1334 VanDerWaalsContact C-N 3.25Å; N1332-I1334 PolarHBondContact O-N 3.25Å; N1332-I1335 PolarHBondContact O-N 3.09Å; N1332-I1335 VanDerWaalsContact O-N 3.11Å |
| 1333 | E | 42.4 | Very low | 42.9 | Very low | 111 Ų | 111 | 118.1 Ų | 118.1 | 52% | 0.519 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.4 | -24 | 177.6 | -72.5 | 166.2 | 177.6 | 0 | 0 | 112.9 | Q1329 T1330 I1335 | Q1329-E1333 WeakPolarHBondContact CG-OE1 3.48Å; Q1329-E1333 PolarHBondContact NE2-OE1 2.69Å; Q1329-E1333 WeakPolarHBondContact O-CB 3.33Å; Q1329-E1333 WeakPolarHBondContact O-CG 3.36Å; Q1329-E1333 PolarHBondContact O-N 2.9Å; T1330-E1333 PolarHBondContact O-N 2.72Å; E1333-I1335 VanDerWaalsContact C-N 3.34Å |
| 1334 | I | 39.7 | Very low | 41.8 | Very low | 124 Ų | 124 | 118 Ų | 118 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -5.5 | 175.2 | -68.9 | 165.9 | 0 | 0 | 0 | 112.7 | T1330 N1332 | T1330-I1334 VanDerWaalsContact O-CB 3.23Å; T1330-I1334 WeakPolarHBondContact O-CB 3.44Å; T1330-I1334 WeakPolarHBondContact O-CD1 3.34Å; T1330-I1334 WeakPolarHBondContact O-CG1 3.26Å; T1330-I1334 PolarHBondContact O-N 2.81Å; N1332-I1334 VanDerWaalsContact C-N 3.25Å; N1332-I1334 PolarHBondContact O-N 3.25Å |
| 1335 | I | 37.6 | Very low | 40.6 | Very low | 130 Ų | 130 | 121 Ų | 121 | 67% | 0.667 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -21.1 | 179.2 | -69.5 | 178.1 | 0 | 0 | 0 | 112.9 | N1331 N1332 E1333 | N1331-I1335 WeakPolarHBondContact O-CD1 3.34Å; N1331-I1335 WeakPolarHBondContact O-CG1 3.35Å; N1332-I1335 PolarHBondContact O-N 3.09Å; N1332-I1335 VanDerWaalsContact O-N 3.11Å; E1333-I1335 VanDerWaalsContact C-N 3.34Å |
| 1336 | D | 34.1 | Very low | 39.3 | Very low | 149 Ų | 149 | 123 Ų | 123 | 80% | 0.797 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -85.8 | -9.6 | 179.2 | -76.1 | -24.7 | 0 | 0 | 0 | 114.1 | ||
| 1337 | E | 34.7 | Very low | 38.3 | Very low | 162 Ų | 162 | 123.5 Ų | 123.5 | 76% | 0.757 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -99.8 | 80 | 171.3 | -70.1 | -165.1 | 168.4 | 0 | 0 | 112 | ||
| 1338 | N | 34.5 | Very low | 37.6 | Very low | 150 Ų | 150 | 127 Ų | 127 | 80% | 0.802 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 163.3 | 82 | 147.7 | -93.2 | -68 | 0 | 0 | 0 | 112 | ||
| 1339 | N | 32.8 | Very low | 36.5 | Very low | 171 Ų | 171 | 125.5 Ų | 125.5 | 91% | 0.914 | 66% | 0.66 | S | S | * | * | trans | -176.6 | 58.9 | 145.7 | -98.4 | -47.9 | 0 | 0 | 0 | 113.1 | T1341 | N1339-T1341 PolarHBondContact O-N 3.22Š| ||
| 1340 | D | 29.5 | Very low | 35.8 | Very low | 163 Ų | 163 | 126.6 Ų | 126.6 | 87% | 0.872 | 67% | 0.665 | S | S | * | * | trans | -67.6 | 98.1 | 162.6 | -100.4 | -41.9 | 0 | 0 | 0 | 110.1 | ||||
| 1341 | T | 34.2 | Very low | 35.1 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 74% | 0.736 | 67% | 0.665 | S | S | * | * | -179.1 | 146.5 | 129.8 | 21.7 | 0 | 0 | 0 | 0 | 115.7 | N1339 | N1339-T1341 PolarHBondContact O-N 3.22Š| |||
| 1342 | N | 33.1 | Very low | 34.5 | Very low | 127 Ų | 127 | 129 Ų | 129 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | trans | 72.9 | 79 | 149.6 | -69 | -43.4 | 0 | 0 | 0 | 120.6 | ||||
| 1343 | N | 31 | Very low | 34 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 63% | 0.631 | 69% | 0.687 | S | S | * | * | 70.1 | 104.4 | 108.2 | -71.4 | -46.1 | 0 | 0 | 0 | 120.3 | |||||
| 1344 | N | 31.8 | Very low | 33.5 | Very low | 120 Ų | 120 | 135 Ų | 135 | 64% | 0.642 | 70% | 0.701 | S | S | * | * | 79.2 | 119 | 115.1 | -58.8 | -15 | 0 | 0 | 0 | 121.3 | |||||
| 1345 | N | 30.5 | Very low | 33.1 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | 77.6 | 142.5 | 127.3 | -62.4 | 2.8 | 0 | 0 | 0 | 118.8 | |||||
| 1346 | L | 32.5 | Very low | 32.8 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 65% | 0.654 | 72% | 0.715 | S | S | * | * | cis | -156.5 | 172 | -6 | -117.9 | 166.7 | 0 | 0 | 0 | 110.9 | ||||
| 1347 | N | 32.5 | Very low | 33 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | trans | -54.8 | -174.9 | 170.3 | -44.7 | -12.5 | 0 | 0 | 0 | 114.1 | ||||
| 1348 | E | 33.3 | Very low | 32.8 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | cis | -149.5 | 162.4 | 14.7 | -98.8 | 97.2 | -149.6 | 0 | 0 | 109.9 | ||||
| 1349 | V | 36.3 | Very low | 33 | Very low | 81 Ų | 81 | 135.5 Ų | 135.5 | 49% | 0.491 | 72% | 0.717 | S | S | . | * | cis | -153 | -91.6 | -31 | 67.7 | 0 | 0 | 0 | 0 | 115.3 | P171 H172 | P171-V1349 HydrophobicContact CB-CG1 4.48Å; H172-V1349 VanDerWaalsContact N-CG1 3.32Å; H172-V1349 WeakPolarHBondContact O-CG1 3.35Å | ||
| 1350 | E | 35.2 | Very low | 33.5 | Very low | 134 Ų | 134 | 134 Ų | 134 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | B | Isolated β-bridge | trans | -169.4 | 117.3 | -153.5 | 179.6 | -174.8 | -84.6 | 0 | 0 | 117.7 | H172 | H172-E1350 WeakPolarHBondContact CA-O 3.45Å; H172-E1350 PolarHBondContact N-O 3.13Å; H172-E1350 PolarHBondContact ND1-O 3.26Å; H172-E1350 PolarHBondContact O-N 3.46Å; H172-E1350 VanDerWaalsContact O-N 3.13Å |
| 1351 | D | 34.4 | Very low | 33.8 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 38% | 0.38 | 71% | 0.705 | S | S | . | * | trans | -153.4 | -119.3 | 162.1 | -152.1 | 29.5 | 0 | 0 | 0 | 120.2 | H172 D173 | H172-D1351 HydrophobicContact CB-CB 3.81Å; H172-D1351 IonicContact CE1-OD1 3.28Å; H172-D1351 PolarHBondContact CE1-OD1 3.22Å; H172-D1351 IonicContact CE1-OD2 3.22Å; H172-D1351 IonicContact CG-OD1 3.23Å; H172-D1351 IonicContact CG-OD2 2.8Å; H172-D1351 WeakPolarHBondContact ND1-CB 3.45Å; H172-D1351 IonicContact ND1-OD1 2.66Å; H172-D1351 PolarHBondContact ND1-OD1 3.12Å; H172-D1351 IonicContact ND1-OD2 2.74Å; H172-D1351 PolarHBondContact ND1-OD2 3.43Å; H172-D1351 IonicContact NE2-OD1 2.78Å; D173-D1351 HydrophobicContact CB-CB 3.69Å; D173-D1351 PolarHBondContact OD1-N 2.69Å | ||
| 1352 | Q | 30.4 | Very low | 34.3 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 65% | 0.654 | 71% | 0.711 | S | S | * | * | trans | -144.3 | 140.1 | -153.3 | -73.5 | 163.7 | 79.7 | 0 | 0 | 111.7 | ||||
| 1353 | D | 34.3 | Very low | 34.6 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 90% | 0.904 | 72% | 0.716 | S | S | * | * | -151.2 | 156.5 | 118.9 | -138 | -19.5 | 0 | 0 | 0 | 111.7 | |||||
| 1354 | E | 30.5 | Very low | 35.3 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | -91.6 | 120.2 | -168.5 | 177.2 | -179.8 | -133.7 | 0 | 0 | 112.3 | ||||
| 1355 | C | 31.9 | Very low | 35.7 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 86% | 0.858 | 73% | 0.733 | S | S | * | * | trans | -146.9 | 123 | 166.5 | -90.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1356 | V | 31.5 | Very low | 36.3 | Very low | 122 Ų | 122 | 143 Ų | 143 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | trans | -89 | 128.8 | 163.3 | 174.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1357 | E | 37.7 | Very low | 36.8 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | -137.6 | 136.4 | 152.6 | -76.5 | -159.7 | -127.2 | 0 | 0 | 109.7 | ||||
| 1358 | D | 30.9 | Very low | 37.5 | Very low | 143 Ų | 143 | 148 Ų | 148 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | -80.6 | 131.3 | -179.7 | -42.5 | -95.6 | 0 | 0 | 0 | 110.2 | ||||
| 1359 | I | 39.9 | Very low | 37.9 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -135.7 | 96.6 | 159.3 | -60.2 | -175.7 | 0 | 0 | 0 | 108.6 | ||||
| 1360 | D | 41.4 | Very low | 38 | Very low | 139 Ų | 139 | 153.4 Ų | 153.4 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 51.7 | 122.6 | 133.2 | -51.6 | -27.7 | 0 | 0 | 0 | 120.6 | ||||
| 1361 | D | 36.3 | Very low | 38.5 | Very low | 148 Ų | 148 | 155.9 Ų | 155.9 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -49.4 | 138.2 | 157.9 | -44.2 | -67.1 | 0 | 0 | 0 | 112.6 | ||||
| 1362 | D | 45 | Very low | 38.8 | Very low | 162 Ų | 162 | 158.8 Ų | 158.8 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -139.9 | 92 | 156.8 | -103 | -34.1 | 0 | 0 | 0 | 106.8 | D1364 | D1362-D1364 PolarHBondContact O-N 3.32Š| ||
| 1363 | D | 40 | Very low | 39.5 | Very low | 144 Ų | 144 | 160.5 Ų | 160.5 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | trans | -76.4 | 91.2 | 175.2 | -78.4 | -56 | 0 | 0 | 0 | 110.1 | E1365 | D1363-E1365 VanDerWaalsContact C-N 3.28Å; D1363-E1365 PolarHBondContact O-N 3.32Å | ||
| 1364 | D | 44.4 | Very low | 39.9 | Very low | 163 Ų | 163 | 157.6 Ų | 157.6 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -72.4 | 82.9 | 165.1 | -92.7 | -33.2 | 0 | 0 | 0 | 109.6 | D1362 E1366 | D1362-D1364 PolarHBondContact O-N 3.32Å; D1364-E1366 PolarHBondContact O-N 2.69Å; D1364-E1366 VanDerWaalsContact O-N 3.13Å | ||
| 1365 | E | 41.1 | Very low | 40.1 | Very low | 164 Ų | 164 | 157.9 Ų | 157.9 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -66.7 | 100.2 | 170.4 | -67.2 | -173.4 | 129.9 | 0 | 0 | 110.7 | D1363 E1367 | D1363-E1365 VanDerWaalsContact C-N 3.28Å; D1363-E1365 PolarHBondContact O-N 3.32Å; E1365-E1367 PolarHBondContact O-N 2.88Å | ||
| 1366 | E | 43.7 | Very low | 40.5 | Very low | 191 Ų | 191 | 160.9 Ų | 160.9 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -73.5 | 82.7 | 159.5 | -75.5 | -167.7 | 150.1 | 0 | 0 | 109.1 | D1364 E1368 | D1364-E1366 PolarHBondContact O-N 2.69Å; D1364-E1366 VanDerWaalsContact O-N 3.13Å; E1366-E1368 PolarHBondContact O-N 2.94Å | ||
| 1367 | E | 42.2 | Very low | 40.9 | Very low | 165 Ų | 165 | 162.3 Ų | 162.3 | 77% | 0.771 | 81% | 0.809 | S | S | * | * | trans | -59.1 | 109.4 | 161.4 | -68.9 | -170.9 | 129.1 | 0 | 0 | 109.1 | E1365 | E1365-E1367 PolarHBondContact O-N 2.88Š| ||
| 1368 | E | 46 | Very low | 41.1 | Very low | 184 Ų | 184 | 159.9 Ų | 159.9 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -93.4 | 116.5 | 157 | -73.7 | -166 | 147.5 | 0 | 0 | 107.5 | E1366 E1370 | E1366-E1368 PolarHBondContact O-N 2.94Å; E1368-E1370 PolarHBondContact O-N 2.95Å | ||
| 1369 | D | 42.5 | Very low | 41.4 | Very low | 146 Ų | 146 | 158.8 Ų | 158.8 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | -54.4 | 125.5 | -165.9 | -53.6 | -97.5 | 0 | 0 | 0 | 114.4 | E1371 | D1369-E1371 PolarHBondContact O-N 2.85Å; D1369-E1371 VanDerWaalsContact O-N 3.15Å | ||
| 1370 | E | 39.6 | Very low | 41.3 | Very low | 199 Ų | 199 | 156.5 Ų | 156.5 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -77.2 | 90.8 | 159.8 | -72 | -156.1 | 171.1 | 0 | 0 | 109.4 | E1368 D1372 | E1368-E1370 PolarHBondContact O-N 2.95Å; E1370-D1372 PolarHBondContact O-N 3.18Å | ||
| 1371 | E | 44.7 | Very low | 41.3 | Very low | 186 Ų | 186 | 157.2 Ų | 157.2 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -71.2 | 111.7 | 168.4 | -75.8 | -162.9 | 140.3 | 0 | 0 | 111 | D1369 D1373 | D1369-E1371 PolarHBondContact O-N 2.85Å; D1369-E1371 VanDerWaalsContact O-N 3.15Å; E1371-D1373 PolarHBondContact O-N 3.06Å | ||
| 1372 | D | 40.8 | Very low | 41.5 | Very low | 133 Ų | 133 | 155.6 Ų | 155.6 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -55.7 | 104.7 | 174.8 | -92.1 | -40.2 | 0 | 0 | 0 | 113.8 | E1370 N1374 | E1370-D1372 PolarHBondContact O-N 3.18Å; D1372-N1374 VanDerWaalsContact C-N 3.32Å; D1372-N1374 WeakPolarHBondContact CB-ND2 2.87Å; D1372-N1374 PolarHBondContact O-N 3.08Å; D1372-N1374 PolarHBondContact OD1-ND2 2.93Å; D1372-N1374 VanDerWaalsContact OD1-ND2 3.16Å; D1372-N1374 PolarHBondContact OD2-ND2 2.85Å | ||
| 1373 | D | 44.6 | Very low | 41.5 | Very low | 175 Ų | 175 | 156.4 Ų | 156.4 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | trans | -88.9 | 74.8 | 153.6 | -110.8 | -20.6 | 0 | 0 | 0 | 108.4 | E1371 | E1371-D1373 PolarHBondContact O-N 3.06Š| ||
| 1374 | N | 42.5 | Very low | 41.6 | Very low | 108 Ų | 108 | 158.2 Ų | 158.2 | 58% | 0.578 | 79% | 0.79 | S | S | * | * | trans | -67.5 | 144.2 | -175.4 | -103.1 | -63.9 | 0 | 0 | 0 | 113.6 | D1372 | D1372-N1374 VanDerWaalsContact C-N 3.32Å; D1372-N1374 WeakPolarHBondContact CB-ND2 2.87Å; D1372-N1374 PolarHBondContact O-N 3.08Å; D1372-N1374 PolarHBondContact OD1-ND2 2.93Å; D1372-N1374 VanDerWaalsContact OD1-ND2 3.16Å; D1372-N1374 PolarHBondContact OD2-ND2 2.85Å | ||
| 1375 | E | 36.1 | Very low | 41.4 | Very low | 182 Ų | 182 | 155.9 Ų | 155.9 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | 0.1 | 116.3 | 160.9 | -55.2 | -177.4 | 155.4 | 0 | 0 | 118.7 | ||||
| 1376 | E | 40.6 | Very low | 41.2 | Very low | 189 Ų | 189 | 156.9 Ų | 156.9 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -127.6 | 110.2 | 137.3 | -160.6 | 167.6 | -136.7 | 0 | 0 | 110.7 | ||||
| 1377 | E | 38 | Very low | 41 | Very low | 152 Ų | 152 | 152 Ų | 152 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | trans | -70.2 | 123.9 | -176.7 | 179.1 | -169.8 | 172.4 | 0 | 0 | 111.8 | N1379 | E1377-N1379 PolarHBondContact OE1-ND2 2.7Š| ||
| 1378 | V | 43.8 | Very low | 40.8 | Very low | 133 Ų | 133 | 152.3 Ų | 152.3 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -130 | 92.9 | 168.5 | -163.1 | 0 | 0 | 0 | 0 | 110.4 | A1380 | V1378-A1380 PolarHBondContact O-N 3Š| ||
| 1379 | N | 35.9 | Very low | 40.2 | Very low | 119 Ų | 119 | 151.2 Ų | 151.2 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -63.6 | 127.3 | -179.4 | -69.9 | -55.7 | 0 | 0 | 0 | 112.9 | E1377 | E1377-N1379 PolarHBondContact OE1-ND2 2.7Š| ||
| 1380 | A | 38.7 | Very low | 39.9 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | -138.8 | 71.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | V1378 | V1378-A1380 PolarHBondContact O-N 3Š| ||
| 1381 | E | 41.1 | Very low | 39.7 | Very low | 153 Ų | 153 | 148.2 Ų | 148.2 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | trans | -84 | 155.1 | -170.7 | -128.8 | -170.3 | 171.7 | 0 | 0 | 113.2 | ||||
| 1382 | L | 41 | Very low | 39.4 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 60% | 0.597 | 77% | 0.765 | S | S | * | * | trans | 78.3 | 130.7 | 150.5 | -63.2 | 165.4 | 0 | 0 | 0 | 122.1 | ||||
| 1383 | Y | 43.3 | Very low | 39.3 | Very low | 179 Ų | 179 | 149.1 Ų | 149.1 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | 63.3 | 149.9 | 163.9 | -54.1 | -62.4 | 0 | 0 | 0 | 118.2 | D1385 | Y1383-D1385 VanDerWaalsContact CD1-OD2 3.3Å; Y1383-D1385 WeakPolarHBondContact CD1-OD2 3.23Å | ||
| 1384 | E | 43.4 | Very low | 39.2 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | cis | -117.6 | 131.3 | 8.3 | -66.4 | 166.4 | 170.6 | 0 | 0 | 109.1 | ||||
| 1385 | D | 39.2 | Very low | 39 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | 65.1 | 112.8 | 79.8 | -60.8 | -21.9 | 0 | 0 | 0 | 113 | Y1383 | Y1383-D1385 VanDerWaalsContact CD1-OD2 3.3Å; Y1383-D1385 WeakPolarHBondContact CD1-OD2 3.23Å | |||
| 1386 | E | 37.8 | Very low | 39.1 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | 76.8 | 87.2 | 71.3 | -72.8 | -68.2 | 166.3 | 0 | 0 | 114.2 | |||||
| 1387 | A | 38.7 | Very low | 39.1 | Very low | 87 Ų | 87 | 147 Ų | 147 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | trans | -164.2 | 112 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1388 | E | 38.3 | Very low | 39.1 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | 64.2 | 113 | 88.3 | -65.4 | -171.3 | 150.7 | 0 | 0 | 113.1 | |||||
| 1389 | I | 34.1 | Very low | 38.7 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 82% | 0.821 | 77% | 0.769 | S | S | * | * | 79.7 | 79 | 59.5 | -59.7 | 166.8 | 0 | 0 | 0 | 112.9 | |||||
| 1390 | S | 36.5 | Very low | 38.5 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -174.9 | 129.1 | 145.8 | 53.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1391 | E | 34.2 | Very low | 38.3 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | cis | 65.7 | 139.9 | 46.4 | -57.1 | -157.6 | 151.5 | 0 | 0 | 113.7 | ||||
| 1392 | E | 38.9 | Very low | 37.8 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | 66.7 | 102.7 | 176.3 | -65 | 170.2 | -166.9 | 0 | 0 | 115.7 | ||||
| 1393 | E | 38.9 | Very low | 37.4 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | 95.8 | 80.4 | 87.4 | -84.3 | -163.9 | -166.6 | 0 | 0 | 113.1 | N1395 | E1393-N1395 PolarHBondContact O-N 3.5Š| |||
| 1394 | D | 41.6 | Very low | 36.9 | Very low | 170 Ų | 170 | 144 Ų | 144 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -66.3 | 98 | 160.6 | -75.4 | -40.9 | 0 | 0 | 0 | 109.4 | ||||
| 1395 | N | 38.7 | Very low | 36.6 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | trans | -120.3 | 141.6 | 159.5 | -86.3 | -66.7 | 0 | 0 | 0 | 109.2 | E1393 | E1393-N1395 PolarHBondContact O-N 3.5Š| ||
| 1396 | D | 38.6 | Very low | 36.4 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | trans | -67.5 | 149.5 | -173 | -48.1 | -92.1 | 0 | 0 | 0 | 113.3 | ||||
| 1397 | D | 39.5 | Very low | 36.4 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 87% | 0.866 | 72% | 0.719 | S | S | * | * | -165.6 | 154.8 | 115.4 | -114.4 | -22.3 | 0 | 0 | 0 | 113.3 | |||||
| 1398 | D | 38 | Very low | 36 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | -62.2 | 154.4 | 176.9 | -93.3 | -58.1 | 0 | 0 | 0 | 114.1 | ||||
| 1399 | V | 36.8 | Very low | 35.6 | Very low | 136 Ų | 136 | 134 Ų | 134 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | -179.4 | 129 | 105.4 | 150.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1400 | N | 31.6 | Very low | 35.5 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 68% | 0.684 | 71% | 0.708 | S | S | * | * | trans | -65.8 | 142.2 | 169.8 | -66.6 | -92.9 | 0 | 0 | 0 | 112.7 | ||||
| 1401 | T | 34.2 | Very low | 35.2 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 77% | 0.767 | 71% | 0.707 | S | S | * | * | trans | 178.1 | 100.3 | 141.9 | -80.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1402 | I | 30.3 | Very low | 35.3 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | 97.8 | 133.3 | 66.3 | -79.9 | 164.2 | 0 | 0 | 0 | 112.5 | |||||
| 1403 | N | 33.7 | Very low | 35 | Very low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | trans | 65.9 | 113.3 | 174.6 | -62.6 | -23.7 | 0 | 0 | 0 | 116.7 | ||||
| 1404 | S | 31.9 | Very low | 34.9 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 69% | 0.685 | 68% | 0.677 | S | S | * | * | 72.3 | 119.2 | 57.3 | -64.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1405 | D | 36.4 | Very low | 34.6 | Very low | 70 Ų | 70 | 125.8 Ų | 125.8 | 37% | 0.374 | 67% | 0.666 | S | S | . | * | -171.3 | 126.1 | 113.2 | -99.9 | -21.3 | 0 | 0 | 0 | 119.2 | T471 | T471-D1405 CarbonylContact C-O 3.56Å; T471-D1405 WeakPolarHBondContact CA-O 3.19Å; T471-D1405 PolarHBondContact N-O 3.49Å; T471-D1405 VanDerWaalsContact N-O 3.13Å | |||
| 1406 | K | 36.9 | Very low | 34.5 | Very low | 77 Ų | 77 | 122.1 Ų | 122.1 | 34% | 0.335 | 65% | 0.65 | S | S | . | * | 73 | 120.7 | 129.4 | -70.1 | 165 | -170.5 | 146.6 | 0 | 121.1 | E468 S469 | E468-K1406 VanDerWaalsContact O-CD 3.23Å; E468-K1406 WeakPolarHBondContact O-CD 3.27Å; E468-K1406 WeakPolarHBondContact O-CE 3.17Å; E468-K1406 PolarHBondContact O-NZ 2.79Å; S469-K1406 VanDerWaalsContact O-CD 3.31Å; S469-K1406 WeakPolarHBondContact O-CD 3.42Å; S469-K1406 PolarHBondContact O-NZ 3.04Å | |||
| 1407 | K | 35.9 | Very low | 34.3 | Very low | 122 Ų | 122 | 121 Ų | 121 | 53% | 0.53 | 64% | 0.644 | S | S | . | * | 77.7 | 149.7 | 97.6 | -68.4 | 176.5 | -175.1 | 176.8 | 0 | 113.8 | Q467 | Q467-K1407 PolarHBondContact O-NZ 3.21Š| |||
| 1408 | H | 31.4 | Very low | 34 | Very low | 156 Ų | 156 | 117.3 Ų | 117.3 | 72% | 0.722 | 63% | 0.631 | S | S | * | * | cis | -156.7 | 148.9 | -4.7 | -129.5 | -37.5 | 0 | 0 | 0 | 108.9 | ||||
| 1409 | C | 29.9 | Very low | 33.8 | Very low | 109 Ų | 109 | 117.7 Ų | 117.7 | 74% | 0.736 | 63% | 0.633 | S | S | * | * | trans | 156.5 | 107.2 | 143.5 | -84.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1410 | T | 32.2 | Very low | 33.5 | Very low | 109 Ų | 109 | 122.6 Ų | 122.6 | 67% | 0.669 | 65% | 0.654 | S | S | * | * | 61.2 | 132 | 87 | 65.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1411 | R | 30.3 | Very low | 33.6 | Very low | 193 Ų | 193 | 122.3 Ų | 122.3 | 73% | 0.728 | 65% | 0.653 | S | S | * | * | cis | -170.7 | 158.3 | 28.1 | -138.5 | 162 | 143.5 | 175.5 | -16.2 | 114 | ||||
| 1412 | H | 35.7 | Very low | 33.5 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 58% | 0.583 | 65% | 0.647 | S | S | * | * | trans | 67.7 | 127.1 | 161 | -64.3 | -47.5 | 0 | 0 | 0 | 117.1 | ||||
| 1413 | D | 33.8 | Very low | 33.7 | Very low | 126 Ų | 126 | 121.7 Ų | 121.7 | 67% | 0.674 | 65% | 0.646 | S | S | * | * | cis | 82.2 | 128.5 | 43.1 | -58.9 | -25 | 0 | 0 | 0 | 111 | ||||
| 1414 | L | 35.4 | Very low | 33.7 | Very low | 96 Ų | 96 | 120.6 Ų | 120.6 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | cis | -136.9 | 157.7 | -4.1 | -67 | 107 | 0 | 0 | 0 | 107.9 | E460 | E460-L1414 HydrophobicContact CG-CD2 3.49Å; E460-L1414 VanDerWaalsContact CG-CD2 3.49Å; E460-L1414 WeakPolarHBondContact OE1-CD2 3.24Å | ||
| 1415 | N | 36.1 | Very low | 33.8 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 68% | 0.679 | 64% | 0.637 | S | S | * | * | cis | 65.9 | 151.7 | 48.1 | -159.7 | 35.3 | 0 | 0 | 0 | 115.9 | ||||
| 1416 | S | 36.9 | Very low | 33.7 | Very low | 51 Ų | 51 | 125.5 Ų | 125.5 | 36% | 0.357 | 65% | 0.654 | S | S | . | * | trans | 91.7 | 114.6 | 168.8 | -39.8 | 0 | 0 | 0 | 0 | 115.3 | L459 | L459-S1416 WeakPolarHBondContact CD1-OG 3.21Å; L459-S1416 WeakPolarHBondContact CD2-OG 3.44Å | ||
| 1417 | N | 33.8 | Very low | 33.4 | Very low | 126 Ų | 126 | 129 Ų | 129 | 67% | 0.674 | 68% | 0.677 | S | S | * | * | 87.1 | 144 | 67.1 | -74.8 | -1.6 | 0 | 0 | 0 | 112.6 | |||||
| 1418 | S | 33.2 | Very low | 33.3 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 59% | 0.594 | 69% | 0.689 | S | S | * | * | cis | -169.9 | -174.6 | -12.4 | 53.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1419 | N | 34.3 | Very low | 33.4 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | trans | 82.6 | 135.3 | 170.7 | -38.4 | -14.9 | 0 | 0 | 0 | 114 | ||||
| 1420 | D | 29.4 | Very low | 33.7 | Very low | 239 Ų | 239 | 129 Ų | 129 | 100% | 1.278 | 68% | 0.681 | S | S | * | * | cis | -91.7 | 0 | -2.1 | -67.9 | -46.7 | 0 | 0 | 0 | 113.5 |
Retrieved 1,420 of 1,420 residues in 186.4 ms
(Link to these results)