| 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 | 36.3 | Very low | 39.6 | Very low | 238 Ų | 238 | 134.3 Ų | 134.3 | 100% | 1.172 | 77% | 0.773 | S | S | * | * | 0 | 120.1 | 0 | -66.4 | 178.5 | 172.9 | 0 | 0 | 106 | |||||
| 2 | A | 36 | Very low | 39.8 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | 62.1 | 114.1 | 90.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 3 | A | 41.5 | Very low | 40.6 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | 65.1 | 130 | 57.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 4 | S | 41 | Very low | 40.3 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | cis | -157.6 | -157.7 | -4 | 46.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 5 | D | 41.5 | Very low | 40.2 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | cis | -165.5 | -164.4 | 16.4 | -140.5 | -66.1 | 0 | 0 | 0 | 112.9 | ||||
| 6 | T | 47 | Very low | 39.9 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | trans | -30.8 | 167.8 | 161.5 | 40.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 7 | E | 42.6 | Very low | 39.8 | Very low | 135 Ų | 135 | 137 Ų | 137 | 63% | 0.631 | 79% | 0.793 | S | S | * | * | cis | -152.9 | 162.5 | 5.9 | -91.4 | -146.7 | 137.1 | 0 | 0 | 111.1 | ||||
| 8 | R | 43.1 | Very low | 40.5 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | 63.4 | 161.2 | 142.8 | -81.8 | -175.2 | 158.7 | 98 | 9.7 | 121.4 | ||||
| 9 | D | 35.8 | Very low | 40 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -154.1 | 161.1 | -12.4 | -128.6 | -32.3 | 0 | 0 | 0 | 110.8 | ||||
| 10 | G | 34.4 | Very low | 39.9 | Very low | 61 Ų | 61 | 140.2 Ų | 140.2 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | 91.4 | 115.9 | 141.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 11 | L | 36.8 | Very low | 39.6 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 98% | 0.984 | 79% | 0.785 | S | S | * | * | trans | 78.3 | 165.4 | 142.8 | -54.2 | 177.4 | 0 | 0 | 0 | 120.1 | ||||
| 12 | A | 41.5 | Very low | 39.8 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | -134.9 | 168.7 | -159.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 13 | P | 50.6 | Low | 39.7 | Very low | 131 Ų | 131 | 142 Ų | 142 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -105.1 | 165.3 | 163.3 | 36.6 | -29.3 | 0 | 0 | 0 | 114.2 | ||||
| 14 | E | 36 | Very low | 39.6 | Very low | 176 Ų | 176 | 145.1 Ų | 145.1 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -86.5 | 176.9 | -169.7 | -99.1 | -65.9 | 157.4 | 0 | 0 | 115.6 | ||||
| 15 | K | 38.3 | Very low | 39.4 | Very low | 187 Ų | 187 | 146.3 Ų | 146.3 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -91.2 | 151.8 | 179.9 | -58.4 | 171.3 | -173.3 | 170.1 | 0 | 112.5 | ||||
| 16 | T | 36.5 | Very low | 39.1 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | trans | -116.5 | 152.5 | 166.7 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 17 | S | 37.8 | Very low | 38.5 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -107.3 | 156.6 | -178 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 18 | P | 51.7 | Low | 38.1 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -89 | 144.1 | 170.9 | 34.3 | -32.7 | 0 | 0 | 0 | 113.4 | ||||
| 19 | D | 31.9 | Very low | 37.8 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -69.9 | 135.2 | 168.9 | -102.5 | -38.8 | 0 | 0 | 0 | 111.4 | ||||
| 20 | R | 38.4 | Very low | 37.8 | Very low | 207 Ų | 207 | 143 Ų | 143 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | 78.4 | 130.2 | 87.6 | -85.5 | -170.4 | -178.3 | -160.2 | 1.7 | 118.2 | |||||
| 21 | D | 33.8 | Very low | 37.9 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 64% | 0.642 | 78% | 0.783 | S | S | * | * | trans | 58 | 121.7 | 141.4 | -55.6 | -27.4 | 0 | 0 | 0 | 122.2 | ||||
| 22 | K | 38.9 | Very low | 38 | Very low | 194 Ų | 194 | 142.1 Ų | 142.1 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | -169 | 132.8 | 107.5 | -94.5 | 142.6 | -166 | 167.8 | 0 | 113.6 | |||||
| 23 | K | 35.6 | Very low | 38.3 | Very low | 194 Ų | 194 | 143.6 Ų | 143.6 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | 43.5 | 124.6 | 135.6 | -67.2 | -167.9 | 178.5 | -170.2 | 0 | 119 | ||||
| 24 | K | 37.8 | Very low | 37.6 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 70% | 0.704 | 78% | 0.777 | S | S | * | * | cis | 60.2 | 125.4 | 28.4 | -128.7 | -171.1 | -179.1 | -91 | 0 | 112 | ||||
| 25 | E | 36.7 | Very low | 37.6 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 59% | 0.593 | 77% | 0.774 | S | S | * | * | cis | -140.6 | -167.6 | 19.8 | -42.9 | -115.8 | 11.1 | 0 | 0 | 108.6 | ||||
| 26 | Q | 36.7 | Very low | 37.5 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | cis | -160.5 | -163.9 | -3.1 | -142.4 | 155.9 | 69 | 0 | 0 | 109.8 | ||||
| 27 | S | 34 | Very low | 38 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 63.7 | 116.2 | 179.7 | 56.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 28 | D | 34.5 | Very low | 37.6 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | cis | 72.4 | 133.4 | 48.5 | -56.3 | -59.4 | 0 | 0 | 0 | 112.2 | ||||
| 29 | V | 36.8 | Very low | 37.2 | Very low | 134 Ų | 134 | 150.2 Ų | 150.2 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | cis | -141.8 | 169.3 | 23 | -131.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 30 | S | 34.4 | Very low | 37.1 | Very low | 100 Ų | 100 | 152.3 Ų | 152.3 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | cis | -170.7 | 148.2 | 34 | 50 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 31 | V | 38.3 | Very low | 37.3 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | 43.5 | 134.8 | 127.1 | -179.4 | 0 | 0 | 0 | 0 | 121 | |||||
| 32 | S | 37 | Very low | 37.2 | Very low | 100 Ų | 100 | 151.6 Ų | 151.6 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | cis | -155.7 | -121 | -17.4 | -90.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 33 | P | 47.9 | Very low | 37.1 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | -117.4 | 155 | -119.3 | 36.4 | -20.8 | 0 | 0 | 0 | 115.4 | |||||
| 34 | R | 35.9 | Very low | 36.8 | Very low | 256 Ų | 256 | 150.2 Ų | 150.2 | 97% | 0.966 | 78% | 0.781 | S | S | * | * | trans | -108.9 | 105 | 178.2 | -167.9 | 178.2 | -171.4 | -177.6 | 4 | 112 | ||||
| 35 | A | 37.7 | Very low | 36.6 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -136.9 | 156.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 36 | S | 35.8 | Very low | 36.3 | Very low | 124 Ų | 124 | 151.5 Ų | 151.5 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | 69.7 | 150.2 | 169.5 | -151.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 37 | K | 46.1 | Very low | 36 | Very low | 184 Ų | 184 | 149 Ų | 149 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | -92.6 | 151.4 | 172.3 | -65.2 | 161.4 | 175.5 | 165.9 | 0 | 108.7 | ||||
| 38 | H | 29.7 | Very low | 36.1 | Very low | 187 Ų | 187 | 154.6 Ų | 154.6 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -156.3 | 149.9 | 133.5 | -123.1 | -86.5 | 0 | 0 | 0 | 112.1 | ||||
| 39 | H | 43 | Very low | 36 | Very low | 179 Ų | 179 | 153.9 Ų | 153.9 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -82 | 139.9 | 167.7 | -66.7 | -93.8 | 0 | 0 | 0 | 109.6 | ||||
| 40 | Y | 30.2 | Very low | 35.8 | Very low | 185 Ų | 185 | 157.5 Ų | 157.5 | 73% | 0.725 | 78% | 0.783 | S | S | * | * | trans | -138.3 | 124.9 | 166.2 | -168.1 | -123.2 | 0 | 0 | 0 | 111.4 | R42 | Y40-R42 HydrophobicContact CD1-CB 4.19Å; Y40-R42 HydrophobicContact CE1-CB 3.52Å; Y40-R42 HydrophobicContact CE1-CG 4.19Å; Y40-R42 WeakPolarHBondContact OH-CD 3.45Å | ||
| 41 | S | 43.6 | Very low | 35.9 | Very low | 113 Ų | 113 | 162.7 Ų | 162.7 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -115.7 | 115 | 174.9 | -61 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 42 | R | 30.4 | Very low | 36.1 | Very low | 200 Ų | 200 | 168.2 Ų | 168.2 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -145.9 | 117.8 | 174.6 | -153.6 | 74.1 | -177.8 | -154.3 | 2.4 | 112.9 | Y40 | Y40-R42 HydrophobicContact CD1-CB 4.19Å; Y40-R42 HydrophobicContact CE1-CB 3.52Å; Y40-R42 HydrophobicContact CE1-CG 4.19Å; Y40-R42 WeakPolarHBondContact OH-CD 3.45Å | ||
| 43 | S | 37.6 | Very low | 35.9 | Very low | 115 Ų | 115 | 173 Ų | 173 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -91.6 | 140.7 | -179.2 | -42.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 44 | R | 28.9 | Very low | 35.4 | Very low | 244 Ų | 244 | 172.1 Ų | 172.1 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -164 | 140.6 | 164 | -138 | 164.6 | 179.1 | 163.1 | -1.4 | 109.9 | ||||
| 45 | S | 32.7 | Very low | 35.4 | Very low | 80 Ų | 80 | 167.5 Ų | 167.5 | 56% | 0.559 | 80% | 0.799 | S | S | * | * | cis | -171.5 | 138.5 | -33.2 | -101 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 46 | R | 31.3 | Very low | 35.5 | Very low | 236 Ų | 236 | 170.1 Ų | 170.1 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | 68.9 | 163.7 | 155 | -56.7 | 161.5 | -178.1 | 161.1 | -1.3 | 114.3 | ||||
| 47 | S | 30.5 | Very low | 35.5 | Very low | 94 Ų | 94 | 171 Ų | 171 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | cis | -156.4 | 169.3 | 6.4 | -144.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 48 | R | 36.1 | Very low | 34.9 | Very low | 222 Ų | 222 | 164.7 Ų | 164.7 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | 67.8 | 151 | 156.4 | -69.5 | -176.3 | 172.7 | 142.8 | -0.7 | 119.1 | ||||
| 49 | E | 32.3 | Very low | 35.2 | Very low | 128 Ų | 128 | 168.2 Ų | 168.2 | 60% | 0.598 | 78% | 0.784 | S | S | * | * | cis | -152.2 | 162.9 | -27.8 | -166.5 | 147.1 | 162.5 | 0 | 0 | 113.1 | ||||
| 50 | R | 32.6 | Very low | 34.8 | Very low | 210 Ų | 210 | 167 Ų | 167 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -33.8 | 140 | 173.3 | -54.2 | 153.1 | 175.3 | 147.9 | -13.4 | 116.5 | ||||
| 51 | K | 36.6 | Very low | 35 | Very low | 209 Ų | 209 | 166.9 Ų | 166.9 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | -156.7 | 145.4 | 99.4 | -120.3 | 169.4 | -176.7 | 170.4 | 0 | 112.4 | |||||
| 52 | R | 41.7 | Very low | 34.4 | Very low | 248 Ų | 248 | 170.9 Ų | 170.9 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | trans | -116.8 | 140 | 161.1 | -73.6 | 179.7 | 176.7 | 164.7 | -2 | 107.2 | ||||
| 53 | K | 33.5 | Very low | 34.6 | Very low | 200 Ų | 200 | 166 Ų | 166 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | -143.4 | 148.2 | 144.4 | -139.8 | 177.4 | -177.6 | -172.3 | 0 | 107.7 | ||||
| 54 | S | 37.5 | Very low | 34.3 | Very low | 108 Ų | 108 | 170 Ų | 170 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -128.3 | 111.6 | -170.9 | 51.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 55 | D | 35.9 | Very low | 34.9 | Very low | 158 Ų | 158 | 163.6 Ų | 163.6 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -90.2 | 123.5 | 173.3 | -62.6 | -50.1 | 0 | 0 | 0 | 109.5 | ||||
| 56 | N | 39.8 | Very low | 34.9 | Very low | 148 Ų | 148 | 171.3 Ų | 171.3 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -98.3 | 116.1 | -177.9 | 165.2 | 47.6 | 0 | 0 | 0 | 109.2 | ||||
| 57 | E | 35.4 | Very low | 34.7 | Very low | 142 Ų | 142 | 164.8 Ų | 164.8 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | -164.5 | 153.6 | 126.5 | -114.1 | -159.7 | -160.2 | 0 | 0 | 112.5 | K60 | E57-K60 IonicContact OE1-NZ 2.71Å; E57-K60 WeakPolarHBondContact OE2-CE 3.33Å; E57-K60 IonicContact OE2-NZ 3.65Å; E57-K60 PolarHBondContact OE2-NZ 2.81Å | |||
| 58 | G | 33.8 | Very low | 35.4 | Very low | 53 Ų | 53 | 170.6 Ų | 170.6 | 55% | 0.546 | 79% | 0.787 | S | S | . | * | trans | -75.6 | 140.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K60 | G58-K60 PolarHBondContact O-N 2.57Š| ||
| 59 | R | 35.1 | Very low | 35.1 | Very low | 261 Ų | 261 | 168 Ų | 168 | 99% | 0.985 | 78% | 0.784 | S | S | * | * | trans | -64.5 | 88.9 | 159.4 | -88.2 | -171.1 | 168.6 | -162.9 | -3.1 | 109.2 | ||||
| 60 | K | 35.7 | Very low | 35.1 | Very low | 152 Ų | 152 | 165.5 Ų | 165.5 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | -51.7 | 135.1 | -176.2 | -75 | 149.7 | 177.2 | 164.7 | 0 | 111.8 | E57 G58 R62 | E57-K60 IonicContact OE1-NZ 2.71Å; E57-K60 WeakPolarHBondContact OE2-CE 3.33Å; E57-K60 IonicContact OE2-NZ 3.65Å; E57-K60 PolarHBondContact OE2-NZ 2.81Å; G58-K60 PolarHBondContact O-N 2.57Å; K60-R62 PolarHBondContact O-N 3.08Å; K60-R62 VanDerWaalsContact O-N 3.08Å | ||
| 61 | H | 33.2 | Very low | 35.2 | Very low | 183 Ų | 183 | 166.9 Ų | 166.9 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -54.5 | 113 | 164.9 | -69.9 | -96.6 | 0 | 0 | 0 | 109 | S63 | H61-S63 PolarHBondContact O-N 3.09Å; H61-S63 VanDerWaalsContact O-N 3.09Å | ||
| 62 | R | 31.6 | Very low | 35.1 | Very low | 197 Ų | 197 | 167.7 Ų | 167.7 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -88.2 | 63.1 | 174.4 | -158.1 | 171.3 | -170.7 | 88.2 | -0.9 | 111.2 | K60 R64 | K60-R62 PolarHBondContact O-N 3.08Å; K60-R62 VanDerWaalsContact O-N 3.08Å; R62-R64 VanDerWaalsContact C-N 3.35Å; R62-R64 PolarHBondContact O-N 3.08Å | ||
| 63 | S | 34.7 | Very low | 34.9 | Very low | 98 Ų | 98 | 164.5 Ų | 164.5 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -61.8 | 91.3 | 169.6 | -55.5 | 0 | 0 | 0 | 0 | 109.8 | H61 S65 | H61-S63 PolarHBondContact O-N 3.09Å; H61-S63 VanDerWaalsContact O-N 3.09Å; S63-S65 VanDerWaalsContact C-N 3.29Å; S63-S65 PolarHBondContact O-N 2.9Å; S63-S65 VanDerWaalsContact O-N 3.08Å | ||
| 64 | R | 31.4 | Very low | 34.8 | Very low | 199 Ų | 199 | 163.4 Ų | 163.4 | 75% | 0.751 | 78% | 0.781 | S | S | * | * | trans | -88.2 | 66.9 | -176.7 | -134.5 | 175.3 | -173.8 | 152.3 | -2.3 | 111.2 | R62 R66 | R62-R64 VanDerWaalsContact C-N 3.35Å; R62-R64 PolarHBondContact O-N 3.08Å; R64-R66 PolarHBondContact O-N 3.28Å | ||
| 65 | S | 41.7 | Very low | 34.7 | Very low | 110 Ų | 110 | 161.9 Ų | 161.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -85.1 | 86 | 172.3 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | S63 | S63-S65 VanDerWaalsContact C-N 3.29Å; S63-S65 PolarHBondContact O-N 2.9Å; S63-S65 VanDerWaalsContact O-N 3.08Å | ||
| 66 | R | 31.5 | Very low | 34.7 | Very low | 242 Ų | 242 | 162.9 Ų | 162.9 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | trans | -178.2 | 141.3 | 165.7 | -102.4 | 156.3 | 176 | 161.4 | -2.5 | 107 | R64 | R64-R66 PolarHBondContact O-N 3.28Š| ||
| 67 | S | 28.7 | Very low | 34.4 | Very low | 98 Ų | 98 | 162 Ų | 162 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | cis | -111.3 | 158.9 | 5 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 68 | K | 43.8 | Very low | 34.5 | Very low | 216 Ų | 216 | 163.5 Ų | 163.5 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | trans | -111.1 | 90.5 | 164 | -175.6 | -168.1 | -174.1 | -171.5 | 0 | 105.7 | ||||
| 69 | E | 31.2 | Very low | 34.5 | Very low | 168 Ų | 168 | 166.2 Ų | 166.2 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -141.5 | 159.4 | -172.2 | -161.9 | 143 | -140.2 | 0 | 0 | 111.3 | ||||
| 70 | A | 32.4 | Very low | 34.7 | Very low | 76 Ų | 76 | 158.8 Ų | 158.8 | 63% | 0.628 | 77% | 0.766 | S | S | * | * | trans | -55.1 | 154.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 71 | R | 34.6 | Very low | 34.5 | Very low | 238 Ų | 238 | 160.4 Ų | 160.4 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | cis | -133.4 | 135.5 | 37.9 | -66.7 | 152.1 | -172.9 | 179.3 | -1.2 | 109.9 | ||||
| 72 | R | 33.5 | Very low | 34.6 | Very low | 226 Ų | 226 | 161 Ų | 161 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | 52.3 | 85.7 | 53.9 | -83.1 | -163.4 | 174.1 | -170.4 | -0.4 | 113.5 | E74 | R72-E74 PolarHBondContact O-N 2.94Š| |||
| 73 | H | 37.9 | Very low | 34.8 | Very low | 181 Ų | 181 | 159 Ų | 159 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -17.6 | 110.2 | 147.8 | -179.7 | -66.8 | 0 | 0 | 0 | 115.4 | ||||
| 74 | E | 31.1 | Very low | 34.6 | Very low | 177 Ų | 177 | 163.5 Ų | 163.5 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -155 | 101.5 | 171.1 | -169.2 | 162.9 | -121.8 | 0 | 0 | 104.5 | R72 | R72-E74 PolarHBondContact O-N 2.94Š| ||
| 75 | S | 35.1 | Very low | 34.8 | Very low | 76 Ų | 76 | 159 Ų | 159 | 53% | 0.531 | 78% | 0.778 | S | S | . | * | cis | 98 | 114.4 | 38.8 | 81 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 76 | K | 36.6 | Very low | 34.5 | Very low | 180 Ų | 180 | 161.8 Ų | 161.8 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | 65.9 | 110.4 | 159 | -57.1 | 170.8 | 179.8 | 173.8 | 0 | 118.1 | ||||
| 77 | D | 33.8 | Very low | 34.4 | Very low | 128 Ų | 128 | 159 Ų | 159 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | -131.7 | 136.6 | 102.9 | -88 | -45.7 | 0 | 0 | 0 | 107.9 | |||||
| 78 | K | 38 | Very low | 35.1 | Very low | 174 Ų | 174 | 161.6 Ų | 161.6 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | 63.2 | 128.8 | 63.9 | -59 | -171.3 | -146.3 | 109.7 | 0 | 111.8 | |||||
| 79 | S | 33.6 | Very low | 34.6 | Very low | 111 Ų | 111 | 158 Ų | 158 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | cis | -149.8 | 162.3 | -8.9 | 68.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 80 | S | 38 | Very low | 35 | Very low | 105 Ų | 105 | 155.9 Ų | 155.9 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | 176 | 130.9 | 83.1 | 54.2 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 81 | K | 32.3 | Very low | 35.2 | Very low | 185 Ų | 185 | 162 Ų | 162 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 90.9 | 84 | 72.5 | -168.3 | -173 | 177.9 | 176.5 | 0 | 115.2 | |||||
| 82 | K | 35.9 | Very low | 35.2 | Very low | 196 Ų | 196 | 158.1 Ų | 158.1 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | -169.3 | 123.9 | 129.2 | -111.2 | 178.3 | 178.9 | -176.4 | 0 | 115.1 | |||||
| 83 | H | 34.4 | Very low | 35.3 | Very low | 155 Ų | 155 | 155.6 Ų | 155.6 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | -6.5 | 133.4 | 146.4 | -55.3 | -68.8 | 0 | 0 | 0 | 118.6 | ||||
| 84 | K | 32.1 | Very low | 35.1 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | 92.9 | 134.1 | 86 | -168.4 | 177.8 | 179.7 | 179.8 | 0 | 110 | |||||
| 85 | S | 34.3 | Very low | 35.4 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -141.6 | 178.3 | 39.8 | 58.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 86 | E | 35.3 | Very low | 35.3 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -66 | 164.8 | 156.3 | -61.2 | 139.7 | 134.3 | 0 | 0 | 110.1 | ||||
| 87 | E | 30.5 | Very low | 35.2 | Very low | 183 Ų | 183 | 151.5 Ų | 151.5 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | -168.1 | 167.5 | 85 | -167.8 | 163.7 | -170 | 0 | 0 | 112.6 | |||||
| 88 | H | 42.3 | Very low | 35 | Very low | 153 Ų | 153 | 149 Ų | 149 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | trans | -69.6 | 158.9 | 170.5 | -111.6 | -96.5 | 0 | 0 | 0 | 112.4 | D90 | H88-D90 IonicContact ND1-OD2 3.98Š| ||
| 89 | N | 34.3 | Very low | 34.9 | Very low | 139 Ų | 139 | 152.5 Ų | 152.5 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | -171.9 | 137.9 | 118.4 | -108 | -77.5 | 0 | 0 | 0 | 112.8 | |||||
| 90 | D | 38.7 | Very low | 34.9 | Very low | 125 Ų | 125 | 154 Ų | 154 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | trans | -97.6 | 132.8 | 163.3 | -60.8 | -91 | 0 | 0 | 0 | 109.2 | H88 | H88-D90 IonicContact ND1-OD2 3.98Š| ||
| 91 | K | 36.2 | Very low | 34.7 | Very low | 204 Ų | 204 | 158.9 Ų | 158.9 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | trans | -167.2 | 160.4 | 143.5 | -109.9 | 144.2 | -166.1 | 162.4 | 0 | 115.2 | ||||
| 92 | E | 34.8 | Very low | 34.9 | Very low | 157 Ų | 157 | 158.2 Ų | 158.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -96.6 | -169.8 | -174.7 | -52 | -173.7 | 150.3 | 0 | 0 | 112.4 | ||||
| 93 | H | 36.5 | Very low | 34.8 | Very low | 172 Ų | 172 | 156.1 Ų | 156.1 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | 77.2 | 147.8 | 163.6 | -57.5 | -1.5 | 0 | 0 | 0 | 115.4 | ||||
| 94 | S | 34 | Very low | 34.7 | Very low | 97 Ų | 97 | 154 Ų | 154 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | cis | -162 | 161.6 | -17.2 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 95 | S | 35.9 | Very low | 34.9 | Very low | 97 Ų | 97 | 149.7 Ų | 149.7 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | 31.9 | 131.1 | 148.2 | 60.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 96 | D | 33.3 | Very low | 34.9 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | -152.4 | -176.7 | 102.3 | -150.8 | -2.2 | 0 | 0 | 0 | 113 | |||||
| 97 | K | 35.5 | Very low | 34.8 | Very low | 186 Ų | 186 | 151 Ų | 151 | 81% | 0.809 | 77% | 0.772 | S | S | * | * | trans | -121.8 | 152.2 | -166.1 | -58.6 | 154.7 | -179 | 161.2 | 0 | 113 | ||||
| 98 | G | 29 | Very low | 35.2 | Very low | 75 Ų | 75 | 145.7 Ų | 145.7 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | 83.9 | 107 | 123.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 99 | R | 35.8 | Very low | 34.8 | Very low | 248 Ų | 248 | 145.4 Ų | 145.4 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | trans | -161.3 | 111.1 | 136.2 | -105.9 | 174.6 | 176.7 | -172 | -1.6 | 105.7 | ||||
| 100 | E | 33.5 | Very low | 35 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | cis | 77.8 | 131.1 | 47 | -134.9 | -158.9 | -125.9 | 0 | 0 | 114.7 | ||||
| 101 | R | 33.7 | Very low | 35.1 | Very low | 207 Ų | 207 | 149.4 Ų | 149.4 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | 75.4 | 144.1 | 177 | -60 | 164.3 | -153.4 | -133.4 | -8.8 | 114.5 | ||||
| 102 | L | 37.6 | Very low | 35.2 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | cis | -115.2 | 160.3 | 24.2 | -70.6 | 161.8 | 0 | 0 | 0 | 115.9 | ||||
| 103 | N | 32.7 | Very low | 35.4 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -101 | 157.9 | 170.9 | -74.2 | -20 | 0 | 0 | 0 | 111.6 | ||||
| 104 | S | 33.4 | Very low | 35.3 | Very low | 109 Ų | 109 | 150.5 Ų | 150.5 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -176 | 108.9 | 138.4 | -95.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 105 | S | 36.5 | Very low | 35.5 | Very low | 103 Ų | 103 | 155.7 Ų | 155.7 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | 79.7 | 140.6 | 79.1 | 74.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 106 | E | 32.8 | Very low | 35.6 | Very low | 160 Ų | 160 | 160.5 Ų | 160.5 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | cis | -169.7 | 169.8 | -2.6 | 150.9 | -177.6 | 122 | 0 | 0 | 110.4 | ||||
| 107 | N | 33.9 | Very low | 35.8 | Very low | 141 Ų | 141 | 164.5 Ų | 164.5 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 65 | 125.9 | 178 | -59.8 | -37.8 | 0 | 0 | 0 | 116.9 | ||||
| 108 | G | 37.8 | Very low | 36.2 | Very low | 71 Ų | 71 | 166 Ų | 166 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | cis | 98 | 86.9 | -5.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 109 | E | 35.4 | Very low | 36.2 | Very low | 148 Ų | 148 | 168.1 Ų | 168.1 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | -152.3 | 118.7 | 151.8 | -132.4 | -161.7 | 169 | 0 | 0 | 110.9 | R111 | E109-R111 IonicContact OE1-CZ 3.08Å; E109-R111 IonicContact OE1-NE 2.93Å; E109-R111 PolarHBondContact OE1-NE 2.96Å; E109-R111 IonicContact OE1-NH2 2.62Å; E109-R111 PolarHBondContact OE1-NH2 3.22Å; E109-R111 IonicContact OE2-NE 3.29Å | ||
| 110 | D | 38.1 | Very low | 36.7 | Very low | 149 Ų | 149 | 161.5 Ų | 161.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -101.5 | 108.3 | 178.7 | -147.7 | -35.3 | 0 | 0 | 0 | 108.9 | ||||
| 111 | R | 40.2 | Very low | 36.9 | Very low | 199 Ų | 199 | 166.4 Ų | 166.4 | 75% | 0.751 | 81% | 0.807 | S | S | * | * | trans | -129.9 | 138.4 | 174.2 | -70.7 | -166.6 | -171.3 | -159.7 | 2.7 | 112.5 | E109 | E109-R111 IonicContact OE1-CZ 3.08Å; E109-R111 IonicContact OE1-NE 2.93Å; E109-R111 PolarHBondContact OE1-NE 2.96Å; E109-R111 IonicContact OE1-NH2 2.62Å; E109-R111 PolarHBondContact OE1-NH2 3.22Å; E109-R111 IonicContact OE2-NE 3.29Å | ||
| 112 | H | 38.1 | Very low | 37.2 | Very low | 145 Ų | 145 | 160.7 Ų | 160.7 | 67% | 0.671 | 81% | 0.812 | S | S | * | * | trans | -84.2 | 137 | -153.8 | -85.4 | -17.4 | 0 | 0 | 0 | 116.3 | ||||
| 113 | K | 39.8 | Very low | 37.1 | Very low | 172 Ų | 172 | 163.6 Ų | 163.6 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | 62.9 | 138.8 | 132.8 | -62.2 | 168.3 | -178.2 | 158.8 | 0 | 120.1 | ||||
| 114 | R | 34.8 | Very low | 37.2 | Very low | 238 Ų | 238 | 161.8 Ų | 161.8 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | 85.8 | 83.5 | 142.7 | -156.1 | -176 | -164 | -166.2 | 5.9 | 119.3 | ||||
| 115 | K | 37.5 | Very low | 37 | Very low | 206 Ų | 206 | 164 Ų | 164 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | -155.9 | 114.1 | 125.6 | -109.3 | 153.7 | -171.6 | 168.1 | 0 | 111.8 | R117 | K115-R117 PolarHBondContact O-N 3.31Å; K115-R117 VanDerWaalsContact O-N 3.14Å | |||
| 116 | E | 39 | Very low | 37.2 | Very low | 199 Ų | 199 | 164.1 Ų | 164.1 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -71.8 | 100.8 | -179.1 | -61.9 | -179.1 | 143.4 | 0 | 0 | 112.1 | ||||
| 117 | R | 36 | Very low | 37.2 | Very low | 232 Ų | 232 | 167.2 Ų | 167.2 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | trans | -140.9 | 104.9 | 163.6 | -74.1 | -163.3 | 169.8 | -179.6 | -1.6 | 113.3 | K115 | K115-R117 PolarHBondContact O-N 3.31Å; K115-R117 VanDerWaalsContact O-N 3.14Å | ||
| 118 | K | 44 | Very low | 37.3 | Very low | 218 Ų | 218 | 166 Ų | 166 | 95% | 0.948 | 82% | 0.816 | S | S | * | * | trans | 28 | 99.6 | 138.7 | -59.6 | 175.9 | -177.8 | 177.6 | 0 | 116.1 | ||||
| 119 | S | 30.5 | Very low | 37.1 | Very low | 119 Ų | 119 | 174.6 Ų | 174.6 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | trans | -124.7 | 146.9 | 160.6 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 120 | S | 46.1 | Very low | 37 | Very low | 109 Ų | 109 | 172.9 Ų | 172.9 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | trans | -87.9 | 120.4 | -174.1 | 44.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 121 | R | 36.5 | Very low | 36.9 | Very low | 247 Ų | 247 | 177.4 Ų | 177.4 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | trans | -144.7 | 89.7 | 170 | -143.2 | 72.6 | 174.4 | 179 | -1.7 | 111.9 | R123 | R121-R123 PolarHBondContact O-N 2.93Š| ||
| 122 | G | 41.6 | Very low | 36.5 | Very low | 86 Ų | 86 | 175 Ų | 175 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | -82.3 | 108.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 123 | R | 34.8 | Very low | 36.4 | Very low | 232 Ų | 232 | 179.2 Ų | 179.2 | 88% | 0.875 | 84% | 0.844 | S | S | * | * | trans | -154.2 | 139.4 | 158.8 | -137.8 | 172.5 | -177.8 | -178.4 | -0.5 | 110.8 | R121 | R121-R123 PolarHBondContact O-N 2.93Š| ||
| 124 | S | 34.9 | Very low | 36.4 | Very low | 114 Ų | 114 | 181.4 Ų | 181.4 | 80% | 0.797 | 85% | 0.847 | S | S | * | * | trans | -18 | 128.4 | 172.8 | 50.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 125 | H | 29.9 | Very low | 36.4 | Very low | 156 Ų | 156 | 178.7 Ų | 178.7 | 72% | 0.722 | 84% | 0.844 | S | S | * | * | trans | -125.2 | 129.6 | 155.9 | -174.9 | 67.9 | 0 | 0 | 0 | 109.9 | ||||
| 126 | S | 38.7 | Very low | 36.2 | Very low | 106 Ų | 106 | 179 Ų | 179 | 74% | 0.741 | 84% | 0.84 | S | S | * | * | trans | -99.4 | 132.9 | 179.7 | 43.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 127 | R | 33.5 | Very low | 36.1 | Very low | 225 Ų | 225 | 175 Ų | 175 | 85% | 0.849 | 83% | 0.834 | S | S | * | * | trans | -153.6 | 122.9 | 163.5 | -142.1 | 163.5 | -173.6 | 135.4 | 0.1 | 113.8 | ||||
| 128 | S | 35.7 | Very low | 35.9 | Very low | 114 Ų | 114 | 174.9 Ų | 174.9 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | trans | -73.3 | 148.9 | -177.8 | -35.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 129 | R | 33.4 | Very low | 35.6 | Very low | 253 Ų | 253 | 170 Ų | 170 | 96% | 0.955 | 83% | 0.827 | S | S | * | * | trans | -157.8 | 134.8 | 150.7 | -112.9 | 159.2 | -174.5 | 163.5 | 1.5 | 111.4 | ||||
| 130 | S | 34.7 | Very low | 35.9 | Very low | 111 Ų | 111 | 176 Ų | 176 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | trans | -89.8 | 156.8 | -171.8 | 47.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 131 | R | 35.9 | Very low | 35.5 | Very low | 244 Ų | 244 | 178.2 Ų | 178.2 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | trans | -162.8 | 70.1 | 160.7 | -112.8 | 163.9 | -169.5 | -175.9 | 2.4 | 114.1 | ||||
| 132 | E | 31.9 | Very low | 35.3 | Very low | 150 Ų | 150 | 178.2 Ų | 178.2 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | trans | 19.3 | 109.3 | 134 | -175.2 | 53 | -113.8 | 0 | 0 | 118.4 | R134 | E132-R134 PolarHBondContact OE1-N 3.32Š| ||
| 133 | R | 34.8 | Very low | 35.3 | Very low | 232 Ų | 232 | 182.7 Ų | 182.7 | 88% | 0.875 | 82% | 0.824 | S | S | * | * | trans | -151.3 | 68.2 | 152.6 | -74.9 | -151.6 | 172.6 | 177.8 | -1.4 | 114.6 | ||||
| 134 | R | 40 | Very low | 35.3 | Very low | 218 Ų | 218 | 180.9 Ų | 180.9 | 82% | 0.823 | 82% | 0.823 | S | S | * | * | 32.1 | 100.1 | 127 | -165.3 | -171.1 | -151.9 | -175.3 | 9.8 | 120.4 | E132 | E132-R134 PolarHBondContact OE1-N 3.32Š| |||
| 135 | H | 34.7 | Very low | 35.5 | Very low | 181 Ų | 181 | 181 Ų | 181 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -138.1 | 93.6 | 152.3 | -75 | -86.9 | 0 | 0 | 0 | 110.2 | ||||
| 136 | R | 33.5 | Very low | 35.6 | Very low | 214 Ų | 214 | 183.4 Ų | 183.4 | 81% | 0.808 | 83% | 0.827 | S | S | * | * | 72.7 | 72 | 90.2 | -161.6 | 175.5 | -159.3 | 152.5 | 8.4 | 114.3 | |||||
| 137 | S | 36.6 | Very low | 35.5 | Very low | 114 Ų | 114 | 183.7 Ų | 183.7 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | -66.7 | 148 | 167.1 | 45.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 138 | R | 32.4 | Very low | 35.5 | Very low | 229 Ų | 229 | 183.7 Ų | 183.7 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -156.3 | 90 | 164.5 | -131.9 | 174.3 | -167 | 169.7 | 3.7 | 111.4 | ||||
| 139 | S | 37.3 | Very low | 35.5 | Very low | 115 Ų | 115 | 183.7 Ų | 183.7 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -70.3 | 146.4 | 169 | 45.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 140 | R | 36.9 | Very low | 35.6 | Very low | 246 Ų | 246 | 183.3 Ų | 183.3 | 93% | 0.928 | 83% | 0.827 | S | S | * | * | trans | -157 | 93.8 | 161.9 | -114.4 | 176.9 | -176.4 | 178.3 | 0.4 | 109.2 | ||||
| 141 | E | 36.9 | Very low | 35.6 | Very low | 156 Ų | 156 | 186.1 Ų | 186.1 | 73% | 0.729 | 83% | 0.828 | S | S | * | * | trans | -63.1 | 148.3 | 167.1 | -65.6 | -164.4 | 117 | 0 | 0 | 110.5 | ||||
| 142 | R | 33.6 | Very low | 35.5 | Very low | 247 Ų | 247 | 185.7 Ų | 185.7 | 93% | 0.932 | 83% | 0.826 | S | S | * | * | trans | -151.6 | 88.6 | 156.2 | -129.9 | 178.8 | -172.8 | -167.8 | 2 | 111.3 | K144 | R142-K144 PolarHBondContact O-N 2.94Š| ||
| 143 | K | 41.9 | Very low | 35.7 | Very low | 179 Ų | 179 | 188.3 Ų | 188.3 | 78% | 0.778 | 84% | 0.835 | S | S | * | * | trans | -64.9 | 128 | 170.1 | -64.5 | 172.6 | -176 | 167.2 | 0 | 109.2 | ||||
| 144 | K | 34.3 | Very low | 35.6 | Very low | 194 Ų | 194 | 186.5 Ų | 186.5 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | trans | -149.1 | 89.6 | 167.8 | -166.2 | 79.3 | 176.7 | -173.2 | 0 | 110.1 | R142 | R142-K144 PolarHBondContact O-N 2.94Š| ||
| 145 | S | 39 | Very low | 35.3 | Very low | 116 Ų | 116 | 180.9 Ų | 180.9 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | trans | -72.8 | 135.9 | 170.7 | 45 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 146 | R | 31.7 | Very low | 35.3 | Very low | 208 Ų | 208 | 182.4 Ų | 182.4 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | -157.4 | 112.5 | 152.7 | -149.4 | 167.5 | -171.4 | 83.9 | -6 | 110.9 | ||||
| 147 | S | 37.1 | Very low | 35.4 | Very low | 112 Ų | 112 | 177.5 Ų | 177.5 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | trans | -72.3 | 146.6 | 168.4 | 45.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 148 | R | 33 | Very low | 35.2 | Very low | 225 Ų | 225 | 181.5 Ų | 181.5 | 85% | 0.849 | 82% | 0.822 | S | S | * | * | trans | -163.9 | 119 | 152.5 | -112.5 | 160.7 | -170.7 | 178.1 | -0.1 | 111.4 | ||||
| 149 | S | 35.7 | Very low | 35.5 | Very low | 113 Ų | 113 | 176.1 Ų | 176.1 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | -73.7 | 170.8 | 163.5 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 150 | R | 36.3 | Very low | 35.5 | Very low | 246 Ų | 246 | 181.6 Ų | 181.6 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | trans | 162.3 | 68.9 | -153.6 | -31.6 | 158.3 | -175.8 | 168.9 | -0.4 | 115.3 | ||||
| 151 | E | 34.2 | Very low | 35.5 | Very low | 170 Ų | 170 | 178 Ų | 178 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -64.1 | 142.2 | 160.3 | -56.6 | -176.7 | 132.3 | 0 | 0 | 110 | ||||
| 152 | R | 33.8 | Very low | 35.5 | Very low | 234 Ų | 234 | 182.3 Ų | 182.3 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | -176.9 | 154.7 | 106.8 | -100.3 | 176.2 | 176.2 | -171.2 | -2.4 | 113.6 | |||||
| 153 | K | 36.1 | Very low | 35.8 | Very low | 205 Ų | 205 | 179.9 Ų | 179.9 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | trans | -59.3 | 156.3 | 175 | -45.6 | 173.4 | -175.6 | -179.7 | 0 | 111.2 | ||||
| 154 | K | 33.3 | Very low | 35.4 | Very low | 195 Ų | 195 | 180.1 Ų | 180.1 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | 157.5 | 105.8 | 116.4 | -170.8 | 165.6 | -174.9 | 176.9 | 0 | 113.3 | |||||
| 155 | S | 33.3 | Very low | 35.5 | Very low | 100 Ų | 100 | 176.4 Ų | 176.4 | 70% | 0.699 | 82% | 0.822 | S | S | * | * | trans | 10.7 | 126.2 | 152.2 | 61.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 156 | R | 34.2 | Very low | 35.3 | Very low | 212 Ų | 212 | 180.1 Ų | 180.1 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | -159 | 125.9 | 118.1 | -130.8 | 175.5 | 177.5 | 108.3 | 0.8 | 113.2 | |||||
| 157 | S | 35.8 | Very low | 35.4 | Very low | 111 Ų | 111 | 175.4 Ų | 175.4 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -71.6 | 143.6 | 159.8 | 45.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 158 | R | 33.1 | Very low | 35.3 | Very low | 198 Ų | 198 | 179.9 Ų | 179.9 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | trans | -157.3 | 98.9 | 163.4 | -119.2 | 168.5 | -174.2 | 156.7 | 1.4 | 110.6 | ||||
| 159 | S | 37.2 | Very low | 35.3 | Very low | 116 Ų | 116 | 174.6 Ų | 174.6 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | -59.8 | 144.5 | 160 | 44.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 160 | R | 38.5 | Very low | 35.5 | Very low | 231 Ų | 231 | 180.3 Ų | 180.3 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -159.4 | 94.9 | 161.3 | -117.4 | 169.6 | -173 | 175 | 1 | 110 | ||||
| 161 | E | 37.3 | Very low | 35.4 | Very low | 171 Ų | 171 | 177.4 Ų | 177.4 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -58.5 | 144.6 | 157.9 | -59.9 | -178.8 | 102.2 | 0 | 0 | 109.4 | ||||
| 162 | R | 36.2 | Very low | 35.4 | Very low | 245 Ų | 245 | 179.5 Ų | 179.5 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | -154 | 99.7 | 150.9 | -121.8 | 174.9 | -177.2 | -173.1 | -1 | 110.2 | K164 | R162-K164 PolarHBondContact O-N 3.2Š| ||
| 163 | K | 39.1 | Very low | 35.8 | Very low | 196 Ų | 196 | 176.2 Ų | 176.2 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | -57.7 | 132 | 168.5 | -61.4 | 176 | -177.3 | 175.4 | 0 | 108.5 | ||||
| 164 | K | 35.3 | Very low | 35.8 | Very low | 185 Ų | 185 | 177.8 Ų | 177.8 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -143.3 | 84.9 | 165.1 | -166.4 | 165.7 | -172.8 | 171.6 | 0 | 110.5 | R162 | R162-K164 PolarHBondContact O-N 3.2Š| ||
| 165 | S | 35.3 | Very low | 35.9 | Very low | 116 Ų | 116 | 180.4 Ų | 180.4 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -58 | 138.5 | 164 | 40.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 166 | R | 34.3 | Very low | 36.1 | Very low | 193 Ų | 193 | 182.6 Ų | 182.6 | 73% | 0.728 | 82% | 0.816 | S | S | * | * | trans | -147.2 | 85.2 | 164.2 | -164.5 | 168.7 | -171 | 81.7 | -6.7 | 109.6 | ||||
| 167 | S | 34.8 | Very low | 36.2 | Very low | 110 Ų | 110 | 183.2 Ų | 183.2 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -54.6 | 145.2 | 167.5 | 41.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 168 | R | 33.9 | Very low | 36.2 | Very low | 205 Ų | 205 | 182.9 Ų | 182.9 | 77% | 0.774 | 82% | 0.815 | S | S | * | * | trans | -150.1 | 77.3 | 168.7 | -128.1 | 173 | -172.1 | 167.8 | 0.3 | 111 | R170 | R168-R170 PolarHBondContact O-N 2.96Š| ||
| 169 | S | 33.8 | Very low | 36.4 | Very low | 115 Ų | 115 | 183.6 Ų | 183.6 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -62.7 | 121.2 | 168.1 | 37.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 170 | R | 39.9 | Very low | 36.4 | Very low | 232 Ų | 232 | 183.4 Ų | 183.4 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | trans | -144.5 | 74.1 | 162.8 | -80.7 | -160.5 | 168.6 | 164.1 | -4.3 | 110.5 | R168 | R168-R170 PolarHBondContact O-N 2.96Š| ||
| 171 | E | 34.5 | Very low | 36.3 | Very low | 185 Ų | 185 | 181.9 Ų | 181.9 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -75.1 | 130.9 | 159 | -178.1 | -173 | 175.7 | 0 | 0 | 109.4 | ||||
| 172 | R | 34.6 | Very low | 36.3 | Very low | 214 Ų | 214 | 179.3 Ų | 179.3 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | trans | -171 | 134.6 | 138.4 | -109 | -179.8 | 177.1 | -163.9 | -0.3 | 113.3 | ||||
| 173 | K | 42.4 | Very low | 36.4 | Very low | 165 Ų | 165 | 178.1 Ų | 178.1 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | trans | 65.4 | 89.4 | 149.4 | -63.1 | -175.9 | 177.3 | -171.2 | 0 | 119.2 | ||||
| 174 | R | 36.3 | Very low | 36.3 | Very low | 239 Ų | 239 | 173.5 Ų | 173.5 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | 32.6 | 117.9 | 111.6 | -56.4 | 176.5 | -174 | 174 | 1 | 117 | |||||
| 175 | R | 34.8 | Very low | 36.2 | Very low | 250 Ų | 250 | 176 Ų | 176 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | trans | -132.1 | 109.3 | 148.7 | -163.7 | 173.8 | -167.6 | 173.7 | 5.2 | 110.4 | ||||
| 176 | I | 36.2 | Very low | 36 | Very low | 146 Ų | 146 | 177.7 Ų | 177.7 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -78.7 | 133.9 | 178.2 | -61.3 | 167.6 | 0 | 0 | 0 | 108.8 | ||||
| 177 | R | 36.4 | Very low | 36 | Very low | 225 Ų | 225 | 179.8 Ų | 179.8 | 85% | 0.849 | 81% | 0.807 | S | S | * | * | trans | -141.7 | 74.8 | 166.6 | -163.8 | 62.2 | 169.4 | 174.4 | -1.1 | 111.1 | R179 | R177-R179 PolarHBondContact O-N 3.02Š| ||
| 178 | S | 35.9 | Very low | 36 | Very low | 103 Ų | 103 | 182.3 Ų | 182.3 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -57.9 | 127.1 | 167.4 | 38.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 179 | R | 38.1 | Very low | 36 | Very low | 213 Ų | 213 | 183 Ų | 183 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -145.9 | 74.7 | 163.7 | -164.9 | 161.9 | -174.3 | 79 | -8.5 | 110.2 | R177 R181 | R177-R179 PolarHBondContact O-N 3.02Å; R179-R181 PolarHBondContact O-N 3.43Å | ||
| 180 | S | 36.8 | Very low | 36.2 | Very low | 112 Ų | 112 | 183.8 Ų | 183.8 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -53.5 | 126.3 | 167.7 | 34.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 181 | R | 37.4 | Very low | 35.8 | Very low | 200 Ų | 200 | 181.9 Ų | 181.9 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -148.6 | 67.5 | 164.6 | -159.3 | 171 | -172.1 | 90.1 | -3.8 | 110.7 | R179 R183 | R179-R181 PolarHBondContact O-N 3.43Å; R181-R183 PolarHBondContact O-N 2.9Å | ||
| 182 | S | 37.1 | Very low | 35.8 | Very low | 117 Ų | 117 | 178.3 Ų | 178.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -48.2 | 126.2 | 168.7 | -47.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 183 | R | 37.9 | Very low | 35.9 | Very low | 220 Ų | 220 | 177 Ų | 177 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -136.4 | 61.1 | 175.7 | -154.2 | 170.8 | -163 | 168.7 | 5 | 110.9 | R181 R185 | R181-R183 PolarHBondContact O-N 2.9Å; R183-R185 PolarHBondContact O-N 3.05Å | ||
| 184 | S | 36.2 | Very low | 35.6 | Very low | 98 Ų | 98 | 174.2 Ų | 174.2 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -52.1 | 124.8 | 168.2 | 39.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 185 | R | 34.6 | Very low | 35.5 | Very low | 239 Ų | 239 | 172.4 Ų | 172.4 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -131.4 | 63.2 | 176.1 | -158.6 | 175 | -164.5 | 174.9 | 5.4 | 110.4 | R183 R187 | R183-R185 PolarHBondContact O-N 3.05Å; R185-R187 PolarHBondContact O-N 3.14Å | ||
| 186 | H | 30.8 | Very low | 35.5 | Very low | 151 Ų | 151 | 166.7 Ų | 166.7 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -55.5 | 134.4 | 170.2 | -59 | -91.1 | 0 | 0 | 0 | 109.4 | ||||
| 187 | R | 34 | Very low | 35.3 | Very low | 236 Ų | 236 | 170.8 Ų | 170.8 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -141.7 | 83.9 | 169.7 | -153.5 | 175.9 | -158.8 | -177.9 | 6.2 | 109.3 | R185 R189 | R185-R187 PolarHBondContact O-N 3.14Å; R187-R189 PolarHBondContact O-N 2.91Å | ||
| 188 | H | 34.7 | Very low | 35.2 | Very low | 163 Ų | 163 | 165.1 Ų | 165.1 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -58.3 | 129.1 | 176.4 | -59.6 | -98.5 | 0 | 0 | 0 | 109.7 | ||||
| 189 | R | 34.3 | Very low | 35 | Very low | 221 Ų | 221 | 171.5 Ų | 171.5 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -145.7 | 57.1 | 163.8 | -154.3 | 177.3 | -162 | 175.5 | 8.1 | 111.5 | R187 R191 | R187-R189 PolarHBondContact O-N 2.91Å; R189-R191 PolarHBondContact O-N 3.42Å; R189-R191 VanDerWaalsContact O-N 3.15Å | ||
| 190 | T | 36.6 | Very low | 34.8 | Very low | 130 Ų | 130 | 166 Ų | 166 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | -52.3 | 116.4 | 156.6 | 35.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 191 | R | 32.8 | Very low | 34.8 | Very low | 192 Ų | 192 | 172.7 Ų | 172.7 | 73% | 0.725 | 79% | 0.791 | S | S | * | * | trans | -122.4 | 72 | 168.9 | -164.8 | 175.6 | -168.5 | 158.1 | 10.4 | 110.2 | R189 R193 | R189-R191 PolarHBondContact O-N 3.42Å; R189-R191 VanDerWaalsContact O-N 3.15Å; R191-R193 PolarHBondContact O-N 2.9Å | ||
| 192 | S | 34.8 | Very low | 35 | Very low | 110 Ų | 110 | 170.1 Ų | 170.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -49.9 | 122.2 | 164.2 | -45.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 193 | R | 34.9 | Very low | 35.1 | Very low | 187 Ų | 187 | 176.6 Ų | 176.6 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -138.7 | 65.6 | 166.7 | -159.7 | 172.9 | -163.3 | 161.9 | 8.9 | 111.1 | R191 R195 | R191-R193 PolarHBondContact O-N 2.9Å; R193-R195 PolarHBondContact O-N 3.25Å | ||
| 194 | S | 35.9 | Very low | 35.3 | Very low | 107 Ų | 107 | 174.9 Ų | 174.9 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -49.3 | 133 | 153.6 | 39.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 195 | R | 35.5 | Very low | 35.7 | Very low | 201 Ų | 201 | 178.5 Ų | 178.5 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | -140.8 | 57.4 | 168.3 | -159.3 | 179.8 | -169.5 | 171.6 | 4 | 110.7 | R193 R197 | R193-R195 PolarHBondContact O-N 3.25Å; R195-R197 PolarHBondContact O-N 3.46Å | ||
| 196 | T | 34.9 | Very low | 35.7 | Very low | 129 Ų | 129 | 178.2 Ų | 178.2 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -57.9 | 127.6 | 159.9 | 38.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 197 | R | 31.5 | Very low | 36.6 | Very low | 232 Ų | 232 | 177.3 Ų | 177.3 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | trans | -144.1 | 67.6 | 166.7 | -166.6 | 179.7 | 177.8 | 148.3 | 5.4 | 110.5 | R195 | R195-R197 PolarHBondContact O-N 3.46Š| ||
| 198 | S | 33.8 | Very low | 37.1 | Very low | 106 Ų | 106 | 174.3 Ų | 174.3 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -85.2 | 120.6 | 167.4 | 35.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 199 | R | 31.3 | Very low | 37.7 | Very low | 237 Ų | 237 | 175.6 Ų | 175.6 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | -178.6 | 106.8 | 145 | -105.2 | 166.9 | 175.1 | 150.5 | -0.2 | 112.2 | ||||
| 200 | S | 34.4 | Very low | 38.4 | Very low | 99 Ų | 99 | 171 Ų | 171 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | 26 | 127.9 | 133.8 | 58.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 201 | R | 37.1 | Very low | 38.6 | Very low | 252 Ų | 252 | 176.7 Ų | 176.7 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | trans | -158.8 | 113.7 | 134.5 | -114.7 | 171 | -172.9 | 174.5 | 2.2 | 111.7 | ||||
| 202 | D | 40.8 | Very low | 39.1 | Very low | 146 Ų | 146 | 179 Ų | 179 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | -63.1 | 139.7 | 173.2 | -71 | -107.9 | 0 | 0 | 0 | 113.5 | ||||
| 203 | R | 40.2 | Very low | 38.9 | Very low | 253 Ų | 253 | 183 Ų | 183 | 96% | 0.955 | 82% | 0.817 | S | S | * | * | trans | -142.3 | 103.8 | 141 | -75.2 | -158.9 | 171.2 | -176.8 | -3.5 | 111.9 | ||||
| 204 | K | 42.1 | Very low | 39.1 | Very low | 184 Ų | 184 | 177.7 Ų | 177.7 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -14.2 | 144 | 137.9 | -71.2 | 168.5 | -178.5 | 173.8 | 0 | 113.6 | ||||
| 205 | K | 44.9 | Very low | 39.3 | Very low | 174 Ų | 174 | 184.3 Ų | 184.3 | 76% | 0.757 | 82% | 0.817 | S | S | * | * | cis | -163.2 | 149.2 | 9.7 | -106.9 | 168.4 | -179 | -174.9 | 0 | 108 | ||||
| 206 | R | 33.7 | Very low | 39.5 | Very low | 232 Ų | 232 | 179.6 Ų | 179.6 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | trans | -149.3 | 139.9 | 133.4 | -129.4 | -179 | -168.7 | -114.9 | 4.3 | 108.2 | ||||
| 207 | I | 50.5 | Low | 39.8 | Very low | 133 Ų | 133 | 181.8 Ų | 181.8 | 68% | 0.682 | 82% | 0.821 | S | S | * | * | trans | -120.6 | 121.3 | -173 | -63.6 | 166.3 | 0 | 0 | 0 | 107.2 | ||||
| 208 | E | 45.2 | Very low | 40.4 | Very low | 172 Ų | 172 | 176.1 Ų | 176.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -146.6 | 153.1 | 162.9 | -126.3 | 148 | -138.2 | 0 | 0 | 109.7 | ||||
| 209 | K | 46.8 | Very low | 41 | Very low | 191 Ų | 191 | 182.2 Ų | 182.2 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | -91.1 | 137.4 | -147.4 | -62 | 165.5 | -177.7 | 171.3 | 0 | 112.8 | R211 | K209-R211 PolarHBondContact O-N 2.88Å; K209-R211 VanDerWaalsContact O-N 3.14Å | ||
| 210 | P | 48.3 | Very low | 41.7 | Very low | 125 Ų | 125 | 176.7 Ų | 176.7 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -74.4 | 102.7 | 169.2 | 30.7 | -32.6 | 0 | 0 | 0 | 110.1 | R212 | P210-R212 PolarHBondContact O-N 3.35Š| ||
| 211 | R | 40.5 | Very low | 42.5 | Very low | 249 Ų | 249 | 178.2 Ų | 178.2 | 94% | 0.94 | 82% | 0.824 | S | S | * | * | trans | -81.2 | 97.4 | 177.8 | -153.6 | 172.3 | -171.3 | 165.6 | 1.3 | 110 | K209 | K209-R211 PolarHBondContact O-N 2.88Å; K209-R211 VanDerWaalsContact O-N 3.14Å | ||
| 212 | R | 44.8 | Very low | 42.9 | Very low | 241 Ų | 241 | 171.2 Ų | 171.2 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -67.9 | 128.7 | 169.4 | -67.1 | 179.9 | 178.3 | 176.3 | -0.9 | 109.9 | P210 | P210-R212 PolarHBondContact O-N 3.35Š| ||
| 213 | F | 29.1 | Very low | 43.9 | Very low | 193 Ų | 193 | 169.1 Ų | 169.1 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -149.3 | 156.4 | 131.1 | -164.3 | -110 | 0 | 0 | 0 | 110.5 | ||||
| 214 | S | 39.9 | Very low | 44.9 | Very low | 76 Ų | 76 | 162.6 Ų | 162.6 | 53% | 0.531 | 80% | 0.798 | S | S | . | * | trans | -107.4 | 146.7 | -168.9 | 44.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 215 | R | 39.4 | Very low | 45.4 | Very low | 245 Ų | 245 | 159.8 Ų | 159.8 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -127.4 | 96.8 | 153 | -159.8 | 72.4 | 175.2 | -166.9 | -0.8 | 108.2 | ||||
| 216 | S | 40.7 | Very low | 45.4 | Very low | 102 Ų | 102 | 159.8 Ų | 159.8 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | -71.5 | 132.5 | 176.8 | 32.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 217 | L | 40.4 | Very low | 46.5 | Very low | 176 Ų | 176 | 160.8 Ų | 160.8 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -138 | 85.8 | 158.4 | -166.7 | 67.6 | 0 | 0 | 0 | 108.2 | ||||
| 218 | S | 44.5 | Very low | 46.8 | Very low | 112 Ų | 112 | 157 Ų | 157 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -80.6 | 118.9 | -173.6 | 48.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 219 | R | 47.1 | Very low | 47.4 | Very low | 234 Ų | 234 | 159.2 Ų | 159.2 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -146.2 | 94.9 | 161.2 | -120.8 | 175.6 | 178.8 | -172.1 | -1.6 | 110.8 | ||||
| 220 | T | 44.3 | Very low | 48.3 | Very low | 122 Ų | 122 | 156 Ų | 156 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 46.7 | 119.4 | 161.6 | 56 | 0 | 0 | 0 | 0 | 118.6 | S222 | T220-S222 PolarHBondContact O-N 3.47Å; T220-S222 VanDerWaalsContact O-N 3.14Å | ||
| 221 | P | 53.2 | Low | 49.4 | Very low | 131 Ų | 131 | 155.7 Ų | 155.7 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 119.5 | 157 | -16.1 | 30 | 0 | 0 | 0 | 108.9 | ||
| 222 | S | 45.6 | Very low | 50.8 | Low | 105 Ų | 105 | 147 Ų | 147 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 135.4 | 169.8 | -171.4 | 0 | 0 | 0 | 0 | 108.7 | T220 | T220-S222 PolarHBondContact O-N 3.47Å; T220-S222 VanDerWaalsContact O-N 3.14Å |
| 223 | P | 61.3 | Low | 52.3 | Low | 102 Ų | 102 | 141 Ų | 141 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 145 | 170.2 | 26.2 | -34 | 0 | 0 | 0 | 109.2 | ||
| 224 | P | 60.5 | Low | 54.9 | Low | 115 Ų | 115 | 137.2 Ų | 137.2 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 140.1 | 178.9 | 25 | -34.4 | 0 | 0 | 0 | 109.5 | F226 | P224-F226 PolarHBondContact O-N 3.15Š|
| 225 | P | 52.9 | Low | 56.9 | Low | 125 Ų | 125 | 136.4 Ų | 136.4 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | -58 | 111.3 | -170.5 | 21.9 | -33.2 | 0 | 0 | 0 | 110.3 | R227 | P225-R227 PolarHBondContact O-N 2.91Š| ||
| 226 | F | 45.7 | Very low | 58.9 | Low | 174 Ų | 174 | 131.2 Ų | 131.2 | 76% | 0.763 | 72% | 0.724 | S | S | * | * | trans | -54.3 | 127.7 | -176.7 | -167.8 | -92.7 | 0 | 0 | 0 | 109.3 | P224 G228 R229 | P224-F226 PolarHBondContact O-N 3.15Å; F226-G228 PolarHBondContact O-N 3.28Å; F226-R229 PolarHBondContact O-N 3.3Å | ||
| 227 | R | 56.5 | Low | 61.1 | Low | 254 Ų | 254 | 130.2 Ų | 130.2 | 96% | 0.958 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 66 | -166.4 | -169.2 | -176.1 | -74.9 | -134.4 | 0.2 | 111.4 | P225 | P225-R227 PolarHBondContact O-N 2.91Š|
| 228 | G | 55.3 | Low | 63.4 | Low | 54 Ų | 54 | 124.6 Ų | 124.6 | 56% | 0.557 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 173.3 | 8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | F226 N230 | F226-G228 PolarHBondContact O-N 3.28Å; G228-N230 PolarHBondContact O-N 3.31Å |
| 229 | R | 59.1 | Low | 65.5 | Low | 217 Ų | 217 | 124.2 Ų | 124.2 | 82% | 0.819 | 68% | 0.675 | S | S | * | * | trans | -72.8 | 118 | 171.7 | -79.3 | -169.7 | 175.4 | 175.3 | -0.6 | 111 | F226 T231 | F226-R229 PolarHBondContact O-N 3.3Å; R229-T231 PolarHBondContact O-N 2.94Å; R229-T231 VanDerWaalsContact O-N 3.09Å | ||
| 230 | N | 64.5 | Low | 67.4 | Low | 123 Ų | 123 | 115.1 Ų | 115.1 | 66% | 0.658 | 65% | 0.65 | S | S | * | * | trans | -70.6 | 98.6 | 179.2 | -68.2 | -36.9 | 0 | 0 | 0 | 111 | G228 A232 M233 D234 | G228-N230 PolarHBondContact O-N 3.31Å; N230-A232 PolarHBondContact O-N 3.36Å; N230-M233 HydrophobicContact CB-CB 3.92Å; N230-M233 WeakPolarHBondContact O-CB 3.37Å; N230-M233 PolarHBondContact O-N 3.08Å; N230-D234 PolarHBondContact O-N 3.09Å | ||
| 231 | T | 73 | Confident | 69.7 | Low | 119 Ų | 119 | 116.1 Ų | 116.1 | 73% | 0.73 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -57.3 | -30 | 177.8 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | R229 M233 A235 | R229-T231 PolarHBondContact O-N 2.94Å; R229-T231 VanDerWaalsContact O-N 3.09Å; T231-M233 VanDerWaalsContact C-N 3.28Å; T231-M233 PolarHBondContact O-N 3.1Å; T231-A235 VanDerWaalsContact O-CB 3.3Å; T231-A235 WeakPolarHBondContact O-CB 3.44Å; T231-A235 PolarHBondContact O-N 3.1Å |
| 232 | A | 68.5 | Low | 71.5 | Confident | 67 Ų | 67 | 119.4 Ų | 119.4 | 55% | 0.554 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.9 | -29.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N230 Q236 | N230-A232 PolarHBondContact O-N 3.36Å; A232-Q236 VanDerWaalsContact O-CG 3.29Å; A232-Q236 WeakPolarHBondContact O-CG 3.29Å; A232-Q236 PolarHBondContact O-N 3.43Å |
| 233 | M | 76.3 | Confident | 73.8 | Confident | 114 Ų | 114 | 119.3 Ų | 119.3 | 56% | 0.562 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.7 | -42.4 | -179 | -161.9 | -81.5 | -166.6 | 0 | 0 | 110.6 | N230 T231 A235 Q236 E237 | N230-M233 HydrophobicContact CB-CB 3.92Å; N230-M233 WeakPolarHBondContact O-CB 3.37Å; N230-M233 PolarHBondContact O-N 3.08Å; T231-M233 VanDerWaalsContact C-N 3.28Å; T231-M233 PolarHBondContact O-N 3.1Å; M233-A235 VanDerWaalsContact C-N 3.31Å; M233-A235 PolarHBondContact O-N 3.37Å; M233-Q236 WeakPolarHBondContact O-CB 3.32Å; M233-Q236 PolarHBondContact O-N 3.22Å; M233-Q236 VanDerWaalsContact O-N 3.08Å; M233-E237 PolarHBondContact O-N 3.06Å |
| 234 | D | 83.7 | Confident | 75.1 | Confident | 114 Ų | 114 | 120.5 Ų | 120.5 | 61% | 0.61 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.9 | -39.5 | 170.6 | -172.4 | 47 | 0 | 0 | 0 | 111.8 | N230 Q236 E237 A238 | N230-D234 PolarHBondContact O-N 3.09Å; D234-Q236 VanDerWaalsContact C-N 3.35Å; D234-Q236 PolarHBondContact O-N 3.38Å; D234-E237 PolarHBondContact O-N 3.36Å; D234-A238 WeakPolarHBondContact O-CB 3.43Å; D234-A238 PolarHBondContact O-N 3.45Å |
| 235 | A | 81.7 | Confident | 76.6 | Confident | 60 Ų | 60 | 124 Ų | 124 | 50% | 0.496 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.6 | -34.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T231 M233 L239 | T231-A235 VanDerWaalsContact O-CB 3.3Å; T231-A235 WeakPolarHBondContact O-CB 3.44Å; T231-A235 PolarHBondContact O-N 3.1Å; M233-A235 VanDerWaalsContact C-N 3.31Å; M233-A235 PolarHBondContact O-N 3.37Å; A235-L239 WeakPolarHBondContact O-CB 3.45Å; A235-L239 PolarHBondContact O-N 3.35Å; A235-L239 VanDerWaalsContact O-N 3.12Å |
| 236 | Q | 82.5 | Confident | 78.2 | Confident | 136 Ų | 136 | 120.2 Ų | 120.2 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.9 | -40.2 | 173.2 | -76 | 169.7 | -14.4 | 0 | 0 | 111.6 | A232 M233 D234 L239 A240 | A232-Q236 VanDerWaalsContact O-CG 3.29Å; A232-Q236 WeakPolarHBondContact O-CG 3.29Å; A232-Q236 PolarHBondContact O-N 3.43Å; M233-Q236 WeakPolarHBondContact O-CB 3.32Å; M233-Q236 PolarHBondContact O-N 3.22Å; M233-Q236 VanDerWaalsContact O-N 3.08Å; D234-Q236 VanDerWaalsContact C-N 3.35Å; D234-Q236 PolarHBondContact O-N 3.38Å; Q236-L239 PolarHBondContact O-N 3.07Å; Q236-A240 PolarHBondContact O-N 2.87Å |
| 237 | E | 87.3 | Confident | 80.4 | Confident | 80 Ų | 80 | 118.9 Ų | 118.9 | 37% | 0.374 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.2 | -40.6 | 176.9 | -157.1 | -169.7 | 144.2 | 0 | 0 | 111.9 | M233 D234 L239 A240 R241 | M233-E237 PolarHBondContact O-N 3.06Å; D234-E237 PolarHBondContact O-N 3.36Å; E237-L239 VanDerWaalsContact C-N 3.29Å; E237-L239 PolarHBondContact O-N 3.28Å; E237-A240 PolarHBondContact O-N 3.36Å; E237-R241 WeakPolarHBondContact O-CB 3.44Å; E237-R241 VanDerWaalsContact O-CG 3.32Å; E237-R241 WeakPolarHBondContact O-CG 3.36Å; E237-R241 PolarHBondContact O-N 2.84Å; E237-R241 IonicContact OE1-CZ 2.71Å; E237-R241 IonicContact OE1-NE 2.63Å; E237-R241 PolarHBondContact OE1-NE 3.42Å; E237-R241 IonicContact OE1-NH2 2.66Å; E237-R241 PolarHBondContact OE1-NH2 3.31Å |
| 238 | A | 87.7 | Confident | 82.1 | Confident | 59 Ų | 59 | 113.1 Ų | 113.1 | 49% | 0.488 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61 | -37.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D234 R242 | D234-A238 WeakPolarHBondContact O-CB 3.43Å; D234-A238 PolarHBondContact O-N 3.45Å; A238-R242 WeakPolarHBondContact O-CB 3.46Å; A238-R242 PolarHBondContact O-N 3.45Å; A238-R242 VanDerWaalsContact O-N 3.16Å |
| 239 | L | 88.6 | Confident | 83.7 | Confident | 104 Ų | 104 | 115.7 Ų | 115.7 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.1 | -44 | 174.1 | -173.4 | 153.8 | 0 | 0 | 0 | 111.6 | A235 Q236 E237 R242 L243 | A235-L239 WeakPolarHBondContact O-CB 3.45Å; A235-L239 PolarHBondContact O-N 3.35Å; A235-L239 VanDerWaalsContact O-N 3.12Å; Q236-L239 PolarHBondContact O-N 3.07Å; E237-L239 VanDerWaalsContact C-N 3.29Å; E237-L239 PolarHBondContact O-N 3.28Å; L239-R242 WeakPolarHBondContact O-CB 3.17Å; L239-R242 PolarHBondContact O-N 3.27Å; L239-R242 VanDerWaalsContact O-N 3.12Å; L239-L243 HydrophobicContact CD2-CD1 3.61Å; L239-L243 HydrophobicContact CD2-CG 4.03Å; L239-L243 PolarHBondContact O-N 3.33Å |
| 240 | A | 87.8 | Confident | 84.7 | Confident | 42 Ų | 42 | 110.7 Ų | 110.7 | 35% | 0.347 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58 | -51.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q236 E237 R242 L243 E244 | Q236-A240 PolarHBondContact O-N 2.87Å; E237-A240 PolarHBondContact O-N 3.36Å; A240-R242 PolarHBondContact O-N 3.16Å; A240-L243 PolarHBondContact O-N 3Å; A240-E244 WeakPolarHBondContact O-CG 3.47Å; A240-E244 PolarHBondContact O-N 3.13Å |
| 241 | R | 92.4 | Very high | 85.8 | Confident | 144 Ų | 144 | 109.2 Ų | 109.2 | 54% | 0.543 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.9 | -28.5 | 175.6 | -67.9 | 169.8 | 177.7 | -147 | -1 | 112.9 | E237 R245 | E237-R241 WeakPolarHBondContact O-CB 3.44Å; E237-R241 VanDerWaalsContact O-CG 3.32Å; E237-R241 WeakPolarHBondContact O-CG 3.36Å; E237-R241 PolarHBondContact O-N 2.84Å; E237-R241 IonicContact OE1-CZ 2.71Å; E237-R241 IonicContact OE1-NE 2.63Å; E237-R241 PolarHBondContact OE1-NE 3.42Å; E237-R241 IonicContact OE1-NH2 2.66Å; E237-R241 PolarHBondContact OE1-NH2 3.31Å; R241-R245 VanDerWaalsContact O-CG 3.3Å; R241-R245 WeakPolarHBondContact O-CG 3.3Å; R241-R245 PolarHBondContact O-N 2.89Å |
| 242 | R | 90.9 | Very high | 86.4 | Confident | 200 Ų | 200 | 108.2 Ų | 108.2 | 76% | 0.755 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -75.1 | -39.3 | 173.5 | -172.9 | 176.7 | -179.5 | 173.6 | 0.4 | 112.2 | A238 L239 A240 A246 | A238-R242 WeakPolarHBondContact O-CB 3.46Å; A238-R242 PolarHBondContact O-N 3.45Å; A238-R242 VanDerWaalsContact O-N 3.16Å; L239-R242 WeakPolarHBondContact O-CB 3.17Å; L239-R242 PolarHBondContact O-N 3.27Å; L239-R242 VanDerWaalsContact O-N 3.12Å; A240-R242 PolarHBondContact O-N 3.16Å; R242-A246 PolarHBondContact O-N 3.49Å |
| 243 | L | 93.5 | Very high | 87.3 | Confident | 103 Ų | 103 | 113.6 Ų | 113.6 | 54% | 0.539 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 175 | -69.1 | 179.6 | 0 | 0 | 0 | 112.4 | L239 A240 A246 K247 | L239-L243 HydrophobicContact CD2-CD1 3.61Å; L239-L243 HydrophobicContact CD2-CG 4.03Å; L239-L243 PolarHBondContact O-N 3.33Å; A240-L243 PolarHBondContact O-N 3Å; L243-A246 PolarHBondContact O-N 2.94Å; L243-K247 PolarHBondContact O-N 3.39Å |
| 244 | E | 89.4 | Confident | 87.6 | Confident | 127 Ų | 127 | 114 Ų | 114 | 59% | 0.593 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.6 | -43.8 | 174.4 | -71.1 | 174 | 161.9 | 0 | 0 | 111.9 | A240 A246 K247 K248 | A240-E244 WeakPolarHBondContact O-CG 3.47Å; A240-E244 PolarHBondContact O-N 3.13Å; E244-A246 VanDerWaalsContact C-N 3.32Å; E244-A246 PolarHBondContact O-N 3.29Å; E244-K247 PolarHBondContact O-N 2.82Å; E244-K248 WeakPolarHBondContact O-CB 3.45Å; E244-K248 PolarHBondContact O-N 3.31Å |
| 245 | R | 90.4 | Very high | 87.5 | Confident | 188 Ų | 188 | 114.5 Ų | 114.5 | 71% | 0.709 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.9 | -39.2 | 173.2 | -71.9 | 173.1 | -175.9 | -164.5 | 0.7 | 112.2 | R241 K248 L249 | R241-R245 VanDerWaalsContact O-CG 3.3Å; R241-R245 WeakPolarHBondContact O-CG 3.3Å; R241-R245 PolarHBondContact O-N 2.89Å; R245-K248 PolarHBondContact O-N 3.45Å; R245-L249 WeakPolarHBondContact O-CG 3.4Å; R245-L249 PolarHBondContact O-N 3.47Å; R245-L249 VanDerWaalsContact O-N 3.09Å |
| 246 | A | 88.3 | Confident | 87.7 | Confident | 45 Ų | 45 | 116.1 Ų | 116.1 | 37% | 0.372 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R242 L243 E244 K248 L249 Q250 | R242-A246 PolarHBondContact O-N 3.49Å; L243-A246 PolarHBondContact O-N 2.94Å; E244-A246 VanDerWaalsContact C-N 3.32Å; E244-A246 PolarHBondContact O-N 3.29Å; A246-K248 PolarHBondContact O-N 3.43Å; A246-L249 PolarHBondContact O-N 2.78Å; A246-Q250 PolarHBondContact O-N 3.35Å |
| 247 | K | 91.4 | Very high | 87.3 | Confident | 147 Ų | 147 | 114.8 Ų | 114.8 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.5 | -45 | 173.9 | -76.6 | -175.7 | 174.3 | -174.9 | 0 | 112.2 | L243 E244 L249 Q250 E251 | L243-K247 PolarHBondContact O-N 3.39Å; E244-K247 PolarHBondContact O-N 2.82Å; K247-L249 VanDerWaalsContact C-N 3.29Å; K247-L249 PolarHBondContact O-N 3.04Å; K247-Q250 WeakPolarHBondContact O-CA 3.44Å; K247-Q250 WeakPolarHBondContact O-CB 3.32Å; K247-Q250 PolarHBondContact O-N 2.93Å; K247-E251 PolarHBondContact O-N 2.84Å |
| 248 | K | 92.8 | Very high | 86.8 | Confident | 133 Ų | 133 | 114.5 Ų | 114.5 | 58% | 0.578 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.8 | -35.9 | 178.6 | -170.5 | 167 | -176.5 | 170.5 | 0 | 112.4 | E244 R245 A246 Q252 | E244-K248 WeakPolarHBondContact O-CB 3.45Å; E244-K248 PolarHBondContact O-N 3.31Å; R245-K248 PolarHBondContact O-N 3.45Å; A246-K248 PolarHBondContact O-N 3.43Å; K248-Q252 WeakPolarHBondContact O-CB 3.31Å; K248-Q252 VanDerWaalsContact O-CG 3.26Å; K248-Q252 WeakPolarHBondContact O-CG 3.34Å; K248-Q252 PolarHBondContact O-N 3.37Å; K248-Q252 PolarHBondContact O-OE1 2.87Å |
| 249 | L | 87 | Confident | 86.5 | Confident | 107 Ų | 107 | 117.1 Ų | 117.1 | 56% | 0.56 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.2 | -30.9 | 172.6 | -75.1 | 167 | 0 | 0 | 0 | 113.3 | R245 A246 K247 R253 | R245-L249 WeakPolarHBondContact O-CG 3.4Å; R245-L249 PolarHBondContact O-N 3.47Å; R245-L249 VanDerWaalsContact O-N 3.09Å; A246-L249 PolarHBondContact O-N 2.78Å; K247-L249 VanDerWaalsContact C-N 3.29Å; K247-L249 PolarHBondContact O-N 3.04Å; L249-R253 WeakPolarHBondContact O-CG 3.35Å; L249-R253 PolarHBondContact O-N 3.38Å |
| 250 | Q | 80.4 | Confident | 86 | Confident | 113 Ų | 113 | 116.6 Ų | 116.6 | 53% | 0.528 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70 | -47.9 | 170.9 | -67.7 | -179.3 | -87.3 | 0 | 0 | 111 | A246 K247 Q252 R253 E254 | A246-Q250 PolarHBondContact O-N 3.35Å; K247-Q250 WeakPolarHBondContact O-CA 3.44Å; K247-Q250 WeakPolarHBondContact O-CB 3.32Å; K247-Q250 PolarHBondContact O-N 2.93Å; Q250-Q252 VanDerWaalsContact C-N 3.29Å; Q250-Q252 PolarHBondContact O-N 3.36Å; Q250-R253 CarbonylContact O-C 3.57Å; Q250-R253 WeakPolarHBondContact O-CA 3.49Å; Q250-R253 WeakPolarHBondContact O-CB 3.4Å; Q250-R253 PolarHBondContact O-N 2.87Å; Q250-E254 WeakPolarHBondContact O-CG 3.46Å; Q250-E254 PolarHBondContact O-N 2.95Å |
| 251 | E | 88.7 | Confident | 85.2 | Confident | 92 Ų | 92 | 119.6 Ų | 119.6 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.2 | -37.8 | 177.5 | -167.4 | -161.5 | 144 | 0 | 0 | 112.1 | K247 E254 K255 | K247-E251 PolarHBondContact O-N 2.84Å; E251-E254 PolarHBondContact O-N 3.1Å; E251-K255 HydrophobicContact CG-CD 4.42Å; E251-K255 WeakPolarHBondContact O-CB 3.48Å; E251-K255 VanDerWaalsContact O-CG 3.3Å; E251-K255 WeakPolarHBondContact O-CG 3.39Å; E251-K255 PolarHBondContact O-N 3.16Å; E251-K255 WeakPolarHBondContact OE1-CE 3.48Å; E251-K255 IonicContact OE1-NZ 3.65Å; E251-K255 PolarHBondContact OE1-NZ 2.98Å |
| 252 | Q | 84.3 | Confident | 84.2 | Confident | 97 Ų | 97 | 118.8 Ų | 118.8 | 45% | 0.453 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 172.2 | -77.4 | 175.8 | -55.9 | 0 | 0 | 112 | K248 Q250 K255 E256 | K248-Q252 WeakPolarHBondContact O-CB 3.31Å; K248-Q252 VanDerWaalsContact O-CG 3.26Å; K248-Q252 WeakPolarHBondContact O-CG 3.34Å; K248-Q252 PolarHBondContact O-N 3.37Å; K248-Q252 PolarHBondContact O-OE1 2.87Å; Q250-Q252 VanDerWaalsContact C-N 3.29Å; Q250-Q252 PolarHBondContact O-N 3.36Å; Q252-K255 PolarHBondContact O-N 3.34Å; Q252-E256 WeakPolarHBondContact O-CG 3.46Å; Q252-E256 PolarHBondContact O-N 3.47Å |
| 253 | R | 88.4 | Confident | 82.9 | Confident | 181 Ų | 181 | 114.2 Ų | 114.2 | 68% | 0.683 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.6 | -37.7 | 175.4 | -75.1 | 175.6 | 172.1 | -174.9 | -3.5 | 112.8 | L249 Q250 E256 M257 | L249-R253 WeakPolarHBondContact O-CG 3.35Å; L249-R253 PolarHBondContact O-N 3.38Å; Q250-R253 CarbonylContact O-C 3.57Å; Q250-R253 WeakPolarHBondContact O-CA 3.49Å; Q250-R253 WeakPolarHBondContact O-CB 3.4Å; Q250-R253 PolarHBondContact O-N 2.87Å; R253-E256 PolarHBondContact O-N 3.28Å; R253-M257 WeakPolarHBondContact O-CB 3.42Å; R253-M257 WeakPolarHBondContact O-CG 3.42Å; R253-M257 PolarHBondContact O-N 2.99Å |
| 254 | E | 81.6 | Confident | 81.3 | Confident | 121 Ų | 121 | 115.8 Ų | 115.8 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.6 | -41.7 | 175.4 | -73.6 | 166.3 | -168.3 | 0 | 0 | 110.8 | Q250 E251 M257 V258 | Q250-E254 WeakPolarHBondContact O-CG 3.46Å; Q250-E254 PolarHBondContact O-N 2.95Å; E251-E254 PolarHBondContact O-N 3.1Å; E254-M257 PolarHBondContact O-N 3.21Å; E254-V258 WeakPolarHBondContact O-CG2 3.49Å; E254-V258 PolarHBondContact O-N 2.89Å |
| 255 | K | 83.4 | Confident | 79.6 | Confident | 125 Ų | 125 | 116.4 Ų | 116.4 | 54% | 0.543 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 172.8 | -77.1 | 169.2 | 172.7 | 174.4 | 0 | 112.2 | E251 Q252 M257 V258 E259 | E251-K255 HydrophobicContact CG-CD 4.42Å; E251-K255 WeakPolarHBondContact O-CB 3.48Å; E251-K255 VanDerWaalsContact O-CG 3.3Å; E251-K255 WeakPolarHBondContact O-CG 3.39Å; E251-K255 PolarHBondContact O-N 3.16Å; E251-K255 WeakPolarHBondContact OE1-CE 3.48Å; E251-K255 IonicContact OE1-NZ 3.65Å; E251-K255 PolarHBondContact OE1-NZ 2.98Å; Q252-K255 PolarHBondContact O-N 3.34Å; K255-M257 VanDerWaalsContact C-N 3.31Å; K255-M257 PolarHBondContact O-N 3.39Å; K255-V258 PolarHBondContact O-N 3.06Å; K255-E259 WeakPolarHBondContact O-CB 3.31Å; K255-E259 PolarHBondContact O-N 2.82Å |
| 256 | E | 84.4 | Confident | 77.8 | Confident | 94 Ų | 94 | 113.4 Ų | 113.4 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.4 | -39.4 | 173.2 | -78.1 | -177.7 | -137.3 | 0 | 0 | 112.8 | Q252 R253 E259 K260 | Q252-E256 WeakPolarHBondContact O-CG 3.46Å; Q252-E256 PolarHBondContact O-N 3.47Å; R253-E256 PolarHBondContact O-N 3.28Å; E256-E259 PolarHBondContact O-N 2.64Å; E256-K260 WeakPolarHBondContact O-CB 3.34Å; E256-K260 VanDerWaalsContact O-CD 3.31Å; E256-K260 WeakPolarHBondContact O-CD 3.48Å; E256-K260 WeakPolarHBondContact O-CG 3.27Å; E256-K260 PolarHBondContact O-N 2.79Å; E256-K260 IonicContact OE2-NZ 2.94Å; E256-K260 PolarHBondContact OE2-NZ 3.3Å |
| 257 | M | 74.9 | Confident | 76.1 | Confident | 109 Ų | 109 | 114 Ų | 114 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 178.6 | -75.7 | -67.4 | -64.3 | 0 | 0 | 111.6 | R253 E254 K255 E259 K260 Q261 | R253-M257 WeakPolarHBondContact O-CB 3.42Å; R253-M257 WeakPolarHBondContact O-CG 3.42Å; R253-M257 PolarHBondContact O-N 2.99Å; E254-M257 PolarHBondContact O-N 3.21Å; K255-M257 VanDerWaalsContact C-N 3.31Å; K255-M257 PolarHBondContact O-N 3.39Å; M257-E259 VanDerWaalsContact C-N 3.34Å; M257-K260 PolarHBondContact O-N 2.75Å; M257-Q261 WeakPolarHBondContact O-CB 3.21Å; M257-Q261 VanDerWaalsContact O-CG 3.28Å; M257-Q261 WeakPolarHBondContact O-CG 3.5Å; M257-Q261 PolarHBondContact O-N 3.41Å |
| 258 | V | 77.3 | Confident | 73.8 | Confident | 74 Ų | 74 | 109.1 Ų | 109.1 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67 | -35.9 | 174.4 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | E254 K255 Q261 K262 | E254-V258 WeakPolarHBondContact O-CG2 3.49Å; E254-V258 PolarHBondContact O-N 2.89Å; K255-V258 PolarHBondContact O-N 3.06Å; V258-Q261 PolarHBondContact O-N 2.97Å; V258-K262 WeakPolarHBondContact O-CG 3.45Å; V258-K262 PolarHBondContact O-N 3.09Å |
| 259 | E | 81.4 | Confident | 71.6 | Confident | 113 Ų | 113 | 106.8 Ų | 106.8 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.4 | -45 | 174.3 | -164 | -175.9 | 152.7 | 0 | 0 | 111.4 | K255 E256 M257 Q261 K262 Q263 | K255-E259 WeakPolarHBondContact O-CB 3.31Å; K255-E259 PolarHBondContact O-N 2.82Å; E256-E259 PolarHBondContact O-N 2.64Å; M257-E259 VanDerWaalsContact C-N 3.34Å; E259-Q261 VanDerWaalsContact C-N 3.31Å; E259-Q261 PolarHBondContact O-N 2.86Å; E259-K262 PolarHBondContact O-N 2.75Å; E259-Q263 WeakPolarHBondContact O-CB 3.37Å; E259-Q263 VanDerWaalsContact O-CG 3.31Å; E259-Q263 WeakPolarHBondContact O-CG 3.45Å; E259-Q263 PolarHBondContact O-N 3Å; E259-Q263 PolarHBondContact OE1-NE2 3.34Å; E259-Q263 VanDerWaalsContact OE1-NE2 3.14Å |
| 260 | K | 77.7 | Confident | 69.7 | Low | 94 Ų | 94 | 106.1 Ų | 106.1 | 41% | 0.409 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 173.6 | -73.3 | 159.9 | -172.3 | 160.3 | 0 | 111.8 | E256 M257 Q263 Q264 | E256-K260 WeakPolarHBondContact O-CB 3.34Å; E256-K260 VanDerWaalsContact O-CD 3.31Å; E256-K260 WeakPolarHBondContact O-CD 3.48Å; E256-K260 WeakPolarHBondContact O-CG 3.27Å; E256-K260 PolarHBondContact O-N 2.79Å; E256-K260 IonicContact OE2-NZ 2.94Å; E256-K260 PolarHBondContact OE2-NZ 3.3Å; M257-K260 PolarHBondContact O-N 2.75Å; K260-Q263 PolarHBondContact O-N 2.59Å; K260-Q264 WeakPolarHBondContact O-CB 3.27Å; K260-Q264 VanDerWaalsContact O-CG 3.24Å; K260-Q264 WeakPolarHBondContact O-CG 3.23Å; K260-Q264 PolarHBondContact O-N 3.09Å |
| 261 | Q | 69.9 | Low | 68.2 | Low | 104 Ų | 104 | 104.6 Ų | 104.6 | 49% | 0.486 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 172.4 | -78.1 | 172.7 | -22.1 | 0 | 0 | 112 | M257 V258 E259 Q264 E265 | M257-Q261 WeakPolarHBondContact O-CB 3.21Å; M257-Q261 VanDerWaalsContact O-CG 3.28Å; M257-Q261 WeakPolarHBondContact O-CG 3.5Å; M257-Q261 PolarHBondContact O-N 3.41Å; V258-Q261 PolarHBondContact O-N 2.97Å; E259-Q261 VanDerWaalsContact C-N 3.31Å; E259-Q261 PolarHBondContact O-N 2.86Å; Q261-Q264 CarbonylContact O-C 3.56Å; Q261-Q264 WeakPolarHBondContact O-CB 3.08Å; Q261-Q264 PolarHBondContact O-N 3.16Å; Q261-E265 PolarHBondContact O-N 3.3Å |
| 262 | K | 71.9 | Confident | 65.7 | Low | 128 Ų | 128 | 104.9 Ų | 104.9 | 56% | 0.557 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.8 | -40.8 | 174.6 | -74.7 | -179.9 | 176.4 | -171.8 | 0 | 112.7 | V258 E259 Q264 E265 I266 | V258-K262 WeakPolarHBondContact O-CG 3.45Å; V258-K262 PolarHBondContact O-N 3.09Å; E259-K262 PolarHBondContact O-N 2.75Å; K262-Q264 VanDerWaalsContact C-N 3.28Å; K262-Q264 PolarHBondContact O-N 3.32Å; K262-E265 PolarHBondContact O-N 2.91Å; K262-I266 WeakPolarHBondContact O-CB 3.48Å; K262-I266 WeakPolarHBondContact O-CD1 3.3Å; K262-I266 VanDerWaalsContact O-CG1 3.26Å; K262-I266 WeakPolarHBondContact O-CG1 3.16Å; K262-I266 PolarHBondContact O-N 2.61Å |
| 263 | Q | 64.7 | Low | 63.9 | Low | 104 Ų | 104 | 104.7 Ų | 104.7 | 49% | 0.486 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.8 | -36.1 | 173.7 | -70.3 | 170.9 | 7.1 | 0 | 0 | 111.1 | E259 K260 A267 | E259-Q263 WeakPolarHBondContact O-CB 3.37Å; E259-Q263 VanDerWaalsContact O-CG 3.31Å; E259-Q263 WeakPolarHBondContact O-CG 3.45Å; E259-Q263 PolarHBondContact O-N 3Å; E259-Q263 PolarHBondContact OE1-NE2 3.34Å; E259-Q263 VanDerWaalsContact OE1-NE2 3.14Å; K260-Q263 PolarHBondContact O-N 2.59Å; Q263-A267 VanDerWaalsContact O-CB 3.24Å; Q263-A267 WeakPolarHBondContact O-CB 3.48Å; Q263-A267 PolarHBondContact O-N 3.26Å |
| 264 | Q | 59.7 | Low | 61.7 | Low | 135 Ų | 135 | 98.8 Ų | 98.8 | 63% | 0.631 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.1 | -38.3 | 173.4 | -75.7 | 171.8 | -10.7 | 0 | 0 | 113.2 | K260 Q261 K262 A267 A268 | K260-Q264 WeakPolarHBondContact O-CB 3.27Å; K260-Q264 VanDerWaalsContact O-CG 3.24Å; K260-Q264 WeakPolarHBondContact O-CG 3.23Å; K260-Q264 PolarHBondContact O-N 3.09Å; Q261-Q264 CarbonylContact O-C 3.56Å; Q261-Q264 WeakPolarHBondContact O-CB 3.08Å; Q261-Q264 PolarHBondContact O-N 3.16Å; K262-Q264 VanDerWaalsContact C-N 3.28Å; K262-Q264 PolarHBondContact O-N 3.32Å; Q264-A267 PolarHBondContact O-N 3.15Å; Q264-A268 VanDerWaalsContact O-CB 3.24Å; Q264-A268 WeakPolarHBondContact O-CB 3.35Å; Q264-A268 PolarHBondContact O-N 3.06Å |
| 265 | E | 52.3 | Low | 60 | Low | 141 Ų | 141 | 98.8 Ų | 98.8 | 66% | 0.659 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.4 | -42.5 | 172.5 | -74.4 | -178.3 | 141.6 | 0 | 0 | 111.3 | Q261 K262 A268 A269 | Q261-E265 PolarHBondContact O-N 3.3Å; K262-E265 PolarHBondContact O-N 2.91Å; E265-A268 PolarHBondContact O-N 3.24Å; E265-A269 WeakPolarHBondContact O-CB 3.38Å; E265-A269 PolarHBondContact O-N 3.07Å |
| 266 | I | 54.1 | Low | 58 | Low | 125 Ų | 125 | 99.9 Ų | 99.9 | 64% | 0.641 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.6 | -40.4 | 176.6 | -66.6 | 164.2 | 0 | 0 | 0 | 111.3 | K262 A269 A270 | K262-I266 WeakPolarHBondContact O-CB 3.48Å; K262-I266 WeakPolarHBondContact O-CD1 3.3Å; K262-I266 VanDerWaalsContact O-CG1 3.26Å; K262-I266 WeakPolarHBondContact O-CG1 3.16Å; K262-I266 PolarHBondContact O-N 2.61Å; I266-A269 PolarHBondContact O-N 3.05Å; I266-A270 PolarHBondContact O-N 3.03Å |
| 267 | A | 51.4 | Low | 56.5 | Low | 58 Ų | 58 | 102.2 Ų | 102.2 | 48% | 0.479 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.6 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q263 Q264 A270 A271 | Q263-A267 VanDerWaalsContact O-CB 3.24Å; Q263-A267 WeakPolarHBondContact O-CB 3.48Å; Q263-A267 PolarHBondContact O-N 3.26Å; Q264-A267 PolarHBondContact O-N 3.15Å; A267-A270 PolarHBondContact O-N 3.44Å; A267-A271 WeakPolarHBondContact O-CB 3.4Å; A267-A271 PolarHBondContact O-N 2.97Å |
| 268 | A | 44.2 | Very low | 55.6 | Low | 44 Ų | 44 | 103.5 Ų | 103.5 | 36% | 0.364 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.5 | -42.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q264 E265 A270 A271 T272 | Q264-A268 VanDerWaalsContact O-CB 3.24Å; Q264-A268 WeakPolarHBondContact O-CB 3.35Å; Q264-A268 PolarHBondContact O-N 3.06Å; E265-A268 PolarHBondContact O-N 3.24Å; A268-A270 PolarHBondContact O-N 2.77Å; A268-A270 VanDerWaalsContact O-N 3.17Å; A268-A271 PolarHBondContact O-N 3.12Å; A268-T272 PolarHBondContact O-N 2.98Å; A268-T272 PolarHBondContact O-OG1 2.94Å; A268-T272 VanDerWaalsContact O-OG1 3.12Å |
| 269 | A | 44.9 | Very low | 54.5 | Low | 83 Ų | 83 | 105.8 Ų | 105.8 | 69% | 0.686 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -60.2 | -23.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E265 I266 | E265-A269 WeakPolarHBondContact O-CB 3.38Å; E265-A269 PolarHBondContact O-N 3.07Å; I266-A269 PolarHBondContact O-N 3.05Å |
| 270 | A | 47.3 | Very low | 53 | Low | 93 Ų | 93 | 104.3 Ų | 104.3 | 77% | 0.769 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -88.6 | -12.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I266 A267 A268 | I266-A270 PolarHBondContact O-N 3.03Å; A267-A270 PolarHBondContact O-N 3.44Å; A268-A270 PolarHBondContact O-N 2.77Å; A268-A270 VanDerWaalsContact O-N 3.17Å |
| 271 | A | 49 | Very low | 51.7 | Low | 81 Ų | 81 | 102.7 Ų | 102.7 | 67% | 0.669 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -118.4 | -17.8 | -170 | 0 | 0 | 0 | 0 | 0 | 115.1 | A267 A268 | A267-A271 WeakPolarHBondContact O-CB 3.4Å; A267-A271 PolarHBondContact O-N 2.97Å; A268-A271 PolarHBondContact O-N 3.12Å |
| 272 | T | 37.5 | Very low | 50.8 | Low | 98 Ų | 98 | 103.7 Ų | 103.7 | 60% | 0.601 | 66% | 0.661 | S | S | * | * | trans | -117 | 81.3 | -177.7 | 60.4 | 0 | 0 | 0 | 0 | 113.1 | A268 G274 | A268-T272 PolarHBondContact O-N 2.98Å; A268-T272 PolarHBondContact O-OG1 2.94Å; A268-T272 VanDerWaalsContact O-OG1 3.12Å; T272-G274 VanDerWaalsContact C-N 3.32Å; T272-G274 PolarHBondContact O-N 3.26Å | ||
| 273 | G | 44.8 | Very low | 49.8 | Very low | 94 Ų | 94 | 104.3 Ų | 104.3 | 97% | 0.969 | 67% | 0.67 | S | S | * | * | trans | -70.4 | 85.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 274 | G | 42.4 | Very low | 49.2 | Very low | 57 Ų | 57 | 103.4 Ų | 103.4 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 162.5 | 137.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116 | T272 | T272-G274 VanDerWaalsContact C-N 3.32Å; T272-G274 PolarHBondContact O-N 3.26Å |
| 275 | S | 45.8 | Very low | 48.6 | Very low | 121 Ų | 121 | 100.2 Ų | 100.2 | 85% | 0.846 | 67% | 0.673 | S | S | * | * | trans | 63.6 | 48.6 | 157.1 | -165.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 276 | V | 43.1 | Very low | 48.4 | Very low | 147 Ų | 147 | 96.6 Ų | 96.6 | 89% | 0.891 | 67% | 0.674 | S | S | * | * | trans | -125.9 | 55.8 | 154.5 | -76.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 277 | L | 52.1 | Low | 48.7 | Very low | 144 Ų | 144 | 95.5 Ų | 95.5 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | trans | -72.7 | 167.5 | 163.9 | -66.1 | 174.1 | 0 | 0 | 0 | 110.8 | ||||
| 278 | N | 55.2 | Low | 48.5 | Very low | 136 Ų | 136 | 101.7 Ų | 101.7 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 87.4 | 20.7 | 170.1 | -49.2 | -21.3 | 0 | 0 | 0 | 119.1 | ||
| 279 | V | 54.6 | Low | 49.2 | Very low | 121 Ų | 121 | 103.6 Ų | 103.6 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -127.4 | -58.7 | 156.3 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | A281 L282 L283 | V279-A281 VanDerWaalsContact C-N 3.3Å; V279-A281 PolarHBondContact O-N 3.17Å; V279-L282 PolarHBondContact O-N 2.86Å; V279-L282 VanDerWaalsContact O-N 3.1Å; V279-L283 PolarHBondContact O-N 2.94Å |
| 280 | A | 49.3 | Very low | 50.5 | Low | 83 Ų | 83 | 102.9 Ų | 102.9 | 69% | 0.686 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -58.5 | -40.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L282 L283 A284 | A280-L282 VanDerWaalsContact C-N 3.27Å; A280-L282 PolarHBondContact O-N 3.42Å; A280-L283 PolarHBondContact O-N 3.33Å; A280-A284 PolarHBondContact O-N 3.24Å; A280-A284 VanDerWaalsContact O-N 3.13Å |
| 281 | A | 51.3 | Low | 51.6 | Low | 60 Ų | 60 | 103.8 Ų | 103.8 | 50% | 0.496 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -62.9 | -29.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V279 S285 | V279-A281 VanDerWaalsContact C-N 3.3Å; V279-A281 PolarHBondContact O-N 3.17Å; A281-S285 PolarHBondContact O-N 3.02Å |
| 282 | L | 51.1 | Low | 52.6 | Low | 124 Ų | 124 | 107.7 Ų | 107.7 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -84.8 | -24.1 | -179.8 | -148.8 | 76.3 | 0 | 0 | 0 | 112.4 | V279 A280 A284 S285 | V279-L282 PolarHBondContact O-N 2.86Å; V279-L282 VanDerWaalsContact O-N 3.1Å; A280-L282 VanDerWaalsContact C-N 3.27Å; A280-L282 PolarHBondContact O-N 3.42Å; L282-A284 VanDerWaalsContact C-N 3.34Å; L282-S285 PolarHBondContact O-OG 3.06Å |
| 283 | L | 51.3 | Low | 54.3 | Low | 141 Ų | 141 | 107.9 Ų | 107.9 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -75.4 | -27.8 | 168.8 | -170.5 | 59.7 | 0 | 0 | 0 | 111.4 | V279 A280 S285 | V279-L283 PolarHBondContact O-N 2.94Å; A280-L283 PolarHBondContact O-N 3.33Å; L283-S285 VanDerWaalsContact C-N 3.31Å |
| 284 | A | 52.3 | Low | 55.4 | Low | 86 Ų | 86 | 105.1 Ų | 105.1 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -15.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114 | A280 L282 G286 | A280-A284 PolarHBondContact O-N 3.24Å; A280-A284 VanDerWaalsContact O-N 3.13Å; L282-A284 VanDerWaalsContact C-N 3.34Å; A284-G286 VanDerWaalsContact C-N 3.31Å; A284-G286 PolarHBondContact O-N 2.82Å |
| 285 | S | 46.7 | Very low | 56.9 | Low | 67 Ų | 67 | 108.2 Ų | 108.2 | 47% | 0.469 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.2 | 15.8 | -176.8 | 65.2 | 0 | 0 | 0 | 0 | 115.3 | A281 L282 L283 T287 | A281-S285 PolarHBondContact O-N 3.02Å; L282-S285 PolarHBondContact O-OG 3.06Å; L283-S285 VanDerWaalsContact C-N 3.31Å; S285-T287 PolarHBondContact O-N 3.47Å |
| 286 | G | 47.4 | Very low | 58.2 | Low | 66 Ų | 66 | 105.1 Ų | 105.1 | 68% | 0.68 | 64% | 0.635 | S | S | * | * | trans | 69.6 | -5.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118 | A284 Q288 | A284-G286 VanDerWaalsContact C-N 3.31Å; A284-G286 PolarHBondContact O-N 2.82Å; G286-Q288 PolarHBondContact O-N 2.75Å | ||
| 287 | T | 60.1 | Low | 59.8 | Low | 101 Ų | 101 | 100.9 Ų | 100.9 | 62% | 0.62 | 62% | 0.616 | S | S | * | * | trans | -68.2 | 118.7 | 177.5 | 46.1 | 0 | 0 | 0 | 0 | 111.2 | S285 V289 | S285-T287 PolarHBondContact O-N 3.47Å; T287-V289 PolarHBondContact O-N 2.87Å; T287-V289 VanDerWaalsContact O-N 3.15Å | ||
| 288 | Q | 48.3 | Very low | 60.9 | Low | 189 Ų | 189 | 100.3 Ų | 100.3 | 88% | 0.883 | 61% | 0.609 | S | S | * | * | trans | -65.6 | 114.9 | -176.7 | -64.1 | -160.1 | 14.4 | 0 | 0 | 112.1 | G286 T290 | G286-Q288 PolarHBondContact O-N 2.75Å; Q288-T290 PolarHBondContact O-N 3.29Å | ||
| 289 | V | 58.4 | Low | 61.7 | Low | 83 Ų | 83 | 97.4 Ų | 97.4 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | trans | -74.3 | 108.2 | 175.9 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | T287 I293 A294 | T287-V289 PolarHBondContact O-N 2.87Å; T287-V289 VanDerWaalsContact O-N 3.15Å; V289-I293 HydrophobicContact CG1-CB 4.06Å; V289-I293 HydrophobicContact CG1-CG2 4Å; V289-A294 HydrophobicContact CG1-CB 3.86Å | ||
| 290 | T | 72.9 | Confident | 62.6 | Low | 68 Ų | 68 | 94.1 Ų | 94.1 | 42% | 0.417 | 58% | 0.578 | S | S | . | * | trans | -62.1 | 148 | 172.2 | 71 | 0 | 0 | 0 | 0 | 109.8 | Q288 Q292 I293 A294 | Q288-T290 PolarHBondContact O-N 3.29Å; T290-Q292 PolarHBondContact O-N 3.45Å; T290-I293 PolarHBondContact O-N 2.84Å; T290-I293 WeakPolarHBondContact OG1-CD1 3.33Å; T290-I293 WeakPolarHBondContact OG1-CG1 3.03Å; T290-A294 PolarHBondContact O-N 3.25Å; T290-A294 VanDerWaalsContact O-N 3.14Å | ||
| 291 | P | 70.3 | Confident | 63.8 | Low | 112 Ų | 112 | 92.7 Ų | 92.7 | 73% | 0.727 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.6 | -26.4 | -174.9 | 21.1 | -33 | 0 | 0 | 0 | 113.3 | M295 | P291-M295 WeakPolarHBondContact O-CB 3.24Å; P291-M295 PolarHBondContact O-N 3.37Å; P291-M295 VanDerWaalsContact O-N 3.08Å |
| 292 | Q | 69.9 | Low | 64.6 | Low | 163 Ų | 163 | 95.3 Ų | 95.3 | 76% | 0.762 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.9 | -40.3 | 173.3 | -66 | -179.9 | -6 | 0 | 0 | 112.5 | T290 M295 A296 | T290-Q292 PolarHBondContact O-N 3.45Å; Q292-M295 PolarHBondContact O-N 2.96Å; Q292-A296 VanDerWaalsContact O-CB 3.32Å; Q292-A296 WeakPolarHBondContact O-CB 3.47Å; Q292-A296 PolarHBondContact O-N 3.17Å |
| 293 | I | 73 | Confident | 65.4 | Low | 102 Ų | 102 | 92.2 Ų | 92.2 | 52% | 0.523 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.3 | -40.9 | 177.3 | -65.5 | 169.5 | 0 | 0 | 0 | 110.3 | V289 T290 M295 A296 A297 | V289-I293 HydrophobicContact CG1-CB 4.06Å; V289-I293 HydrophobicContact CG1-CG2 4Å; T290-I293 PolarHBondContact O-N 2.84Å; T290-I293 WeakPolarHBondContact OG1-CD1 3.33Å; T290-I293 WeakPolarHBondContact OG1-CG1 3.03Å; I293-M295 PolarHBondContact O-N 2.95Å; I293-A296 PolarHBondContact O-N 3.49Å; I293-A297 WeakPolarHBondContact O-CB 3.39Å; I293-A297 PolarHBondContact O-N 3.32Å |
| 294 | A | 68.3 | Low | 66.4 | Low | 36 Ų | 36 | 88.1 Ų | 88.1 | 30% | 0.298 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | V289 T290 A297 Q298 | V289-A294 HydrophobicContact CG1-CB 3.86Å; T290-A294 PolarHBondContact O-N 3.25Å; T290-A294 VanDerWaalsContact O-N 3.14Å; A294-A297 PolarHBondContact O-N 2.83Å; A294-Q298 WeakPolarHBondContact O-CG 3.17Å; A294-Q298 PolarHBondContact O-N 3.45Å; A294-Q298 VanDerWaalsContact O-N 3.07Å |
| 295 | M | 74.6 | Confident | 67.3 | Low | 122 Ų | 122 | 90.5 Ų | 90.5 | 60% | 0.601 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67 | -39.3 | 178.2 | -168.4 | 179.6 | -172.6 | 0 | 0 | 112.5 | P291 Q292 I293 Q298 M299 | P291-M295 WeakPolarHBondContact O-CB 3.24Å; P291-M295 PolarHBondContact O-N 3.37Å; P291-M295 VanDerWaalsContact O-N 3.08Å; Q292-M295 PolarHBondContact O-N 2.96Å; I293-M295 PolarHBondContact O-N 2.95Å; M295-Q298 PolarHBondContact O-N 2.94Å; M295-M299 PolarHBondContact O-N 3.47Å |
| 296 | A | 73.1 | Confident | 68 | Low | 56 Ų | 56 | 87.4 Ų | 87.4 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q292 I293 Q298 M299 A300 | Q292-A296 VanDerWaalsContact O-CB 3.32Å; Q292-A296 WeakPolarHBondContact O-CB 3.47Å; Q292-A296 PolarHBondContact O-N 3.17Å; I293-A296 PolarHBondContact O-N 3.49Å; A296-Q298 VanDerWaalsContact C-N 3.35Å; A296-Q298 PolarHBondContact O-N 3.14Å; A296-M299 PolarHBondContact O-N 2.93Å; A296-A300 WeakPolarHBondContact O-CB 3.24Å; A296-A300 PolarHBondContact O-N 2.86Å |
| 297 | A | 76.3 | Confident | 69 | Low | 59 Ų | 59 | 88 Ų | 88 | 49% | 0.488 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I293 A294 A300 A301 | I293-A297 WeakPolarHBondContact O-CB 3.39Å; I293-A297 PolarHBondContact O-N 3.32Å; A294-A297 PolarHBondContact O-N 2.83Å; A297-A300 PolarHBondContact O-N 2.9Å; A297-A301 WeakPolarHBondContact O-CB 3.48Å; A297-A301 PolarHBondContact O-N 2.97Å |
| 298 | Q | 74.5 | Confident | 69.3 | Low | 131 Ų | 131 | 87.5 Ų | 87.5 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63 | -43.7 | 173.8 | -71.8 | 175.8 | 5.7 | 0 | 0 | 112.3 | A294 M295 A296 A301 L302 | A294-Q298 WeakPolarHBondContact O-CG 3.17Å; A294-Q298 PolarHBondContact O-N 3.45Å; A294-Q298 VanDerWaalsContact O-N 3.07Å; M295-Q298 PolarHBondContact O-N 2.94Å; A296-Q298 VanDerWaalsContact C-N 3.35Å; A296-Q298 PolarHBondContact O-N 3.14Å; Q298-A301 PolarHBondContact O-N 3.17Å; Q298-L302 WeakPolarHBondContact O-CG 3.39Å; Q298-L302 PolarHBondContact O-N 2.84Å; Q298-L302 VanDerWaalsContact O-N 3.09Å |
| 299 | M | 72.4 | Confident | 70 | Confident | 75 Ų | 75 | 84.4 Ų | 84.4 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.5 | -32.8 | 176.3 | -70.1 | -154.9 | -67.1 | 0 | 0 | 113.2 | M295 A296 Q303 | M295-M299 PolarHBondContact O-N 3.47Å; A296-M299 PolarHBondContact O-N 2.93Å; M299-Q303 WeakPolarHBondContact O-CG 3.42Å; M299-Q303 PolarHBondContact O-N 3.44Å; M299-Q303 PolarHBondContact O-NE2 3.44Å; M299-Q303 VanDerWaalsContact O-NE2 3.1Å |
| 300 | A | 74.1 | Confident | 70 | Confident | 53 Ų | 53 | 81.7 Ų | 81.7 | 44% | 0.438 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A296 A297 L302 Q303 A304 | A296-A300 WeakPolarHBondContact O-CB 3.24Å; A296-A300 PolarHBondContact O-N 2.86Å; A297-A300 PolarHBondContact O-N 2.9Å; A300-L302 VanDerWaalsContact C-N 3.34Å; A300-L302 PolarHBondContact O-N 3.28Å; A300-Q303 WeakPolarHBondContact O-CB 3.22Å; A300-Q303 PolarHBondContact O-N 3.4Å; A300-Q303 VanDerWaalsContact O-N 3.16Å; A300-A304 PolarHBondContact O-N 3.14Å |
| 301 | A | 73.5 | Confident | 69.6 | Low | 53 Ų | 53 | 81.7 Ų | 81.7 | 44% | 0.438 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A297 Q298 A304 K305 | A297-A301 WeakPolarHBondContact O-CB 3.48Å; A297-A301 PolarHBondContact O-N 2.97Å; Q298-A301 PolarHBondContact O-N 3.17Å; A301-A304 PolarHBondContact O-N 2.82Å; A301-K305 PolarHBondContact O-N 3.24Å |
| 302 | L | 69.2 | Low | 69.3 | Low | 114 Ų | 114 | 77.7 Ų | 77.7 | 60% | 0.597 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67 | -35.1 | 174 | -70 | 174.8 | 0 | 0 | 0 | 112.7 | Q298 A300 A306 | Q298-L302 WeakPolarHBondContact O-CG 3.39Å; Q298-L302 PolarHBondContact O-N 2.84Å; Q298-L302 VanDerWaalsContact O-N 3.09Å; A300-L302 VanDerWaalsContact C-N 3.34Å; A300-L302 PolarHBondContact O-N 3.28Å; L302-A306 WeakPolarHBondContact O-CB 3.31Å; L302-A306 PolarHBondContact O-N 3.01Å |
| 303 | Q | 68.2 | Low | 69.5 | Low | 59 Ų | 59 | 72.6 Ų | 72.6 | 28% | 0.276 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69 | -41.3 | 172.1 | -72.3 | 167.5 | 65.5 | 0 | 0 | 111.7 | M299 A300 K305 A306 L307 P325 | M299-Q303 WeakPolarHBondContact O-CG 3.42Å; M299-Q303 PolarHBondContact O-N 3.44Å; M299-Q303 PolarHBondContact O-NE2 3.44Å; M299-Q303 VanDerWaalsContact O-NE2 3.1Å; A300-Q303 WeakPolarHBondContact O-CB 3.22Å; A300-Q303 PolarHBondContact O-N 3.4Å; A300-Q303 VanDerWaalsContact O-N 3.16Å; Q303-K305 VanDerWaalsContact C-N 3.34Å; Q303-K305 PolarHBondContact O-N 2.71Å; Q303-A306 PolarHBondContact O-N 3.1Å; Q303-L307 WeakPolarHBondContact O-CB 3.31Å; Q303-L307 WeakPolarHBondContact O-CG 3.24Å; Q303-L307 PolarHBondContact O-N 3.42Å; Q303-P325 HydrophobicContact CG-CB 4.21Å; Q303-P325 HydrophobicContact CG-CG 4.02Å |
| 304 | A | 70.7 | Confident | 69.5 | Low | 55 Ų | 55 | 69.2 Ų | 69.2 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A300 A301 L307 A308 | A300-A304 PolarHBondContact O-N 3.14Å; A301-A304 PolarHBondContact O-N 2.82Å; A304-L307 WeakPolarHBondContact O-CB 3.41Å; A304-L307 PolarHBondContact O-N 3.22Å; A304-A308 WeakPolarHBondContact O-CB 3.47Å; A304-A308 PolarHBondContact O-N 2.87Å |
| 305 | K | 70.9 | Confident | 70.1 | Confident | 136 Ų | 136 | 69.2 Ų | 69.2 | 59% | 0.591 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.7 | -47.3 | 172.3 | -72.8 | -168.7 | 174.1 | -164.4 | 0 | 112.3 | A301 Q303 L307 A308 E309 | A301-K305 PolarHBondContact O-N 3.24Å; Q303-K305 VanDerWaalsContact C-N 3.34Å; Q303-K305 PolarHBondContact O-N 2.71Å; K305-L307 VanDerWaalsContact C-N 3.28Å; K305-L307 PolarHBondContact O-N 3.4Å; K305-A308 PolarHBondContact O-N 3.02Å; K305-A308 VanDerWaalsContact O-N 3.16Å; K305-E309 WeakPolarHBondContact O-CB 3.39Å; K305-E309 WeakPolarHBondContact O-CG 3.39Å; K305-E309 PolarHBondContact O-N 3.35Å |
| 306 | A | 63.1 | Low | 70.2 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 2% | 0.017 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.2 | -37.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L302 Q303 T310 P325 M326 | L302-A306 WeakPolarHBondContact O-CB 3.31Å; L302-A306 PolarHBondContact O-N 3.01Å; Q303-A306 PolarHBondContact O-N 3.1Å; A306-T310 WeakPolarHBondContact O-CB 3.41Å; A306-T310 WeakPolarHBondContact O-CG2 3.16Å; A306-T310 PolarHBondContact O-N 3.48Å; A306-T310 VanDerWaalsContact O-N 3.09Å; A306-T310 PolarHBondContact O-OG1 3.25Å; A306-P325 HydrophobicContact CB-CB 3.78Å; A306-P325 HydrophobicContact CB-CG 4.1Å; A306-M326 HydrophobicContact CB-CG 4.39Å; A306-M326 HydrophobicContact CB-SD 3.58Å; A306-M326 VanDerWaalsContact CB-SD 3.58Å |
| 307 | L | 67.6 | Low | 70.3 | Confident | 80 Ų | 80 | 74.9 Ų | 74.9 | 42% | 0.419 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.8 | -50.9 | 172 | -83.4 | 162.5 | 0 | 0 | 0 | 111.6 | Q303 A304 K305 G311 A313 | Q303-L307 WeakPolarHBondContact O-CB 3.31Å; Q303-L307 WeakPolarHBondContact O-CG 3.24Å; Q303-L307 PolarHBondContact O-N 3.42Å; A304-L307 WeakPolarHBondContact O-CB 3.41Å; A304-L307 PolarHBondContact O-N 3.22Å; K305-L307 VanDerWaalsContact C-N 3.28Å; K305-L307 PolarHBondContact O-N 3.4Å; L307-G311 VanDerWaalsContact O-CA 3.31Å; L307-G311 WeakPolarHBondContact O-CA 3.39Å; L307-G311 PolarHBondContact O-N 2.91Å; L307-A313 VanDerWaalsContact CD2-CA 3.49Å; L307-A313 HydrophobicContact CD2-CB 3.66Å |
| 308 | A | 65.4 | Low | 70.3 | Confident | 90 Ų | 90 | 76.7 Ų | 76.7 | 74% | 0.744 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.9 | -41.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | A304 K305 | A304-A308 WeakPolarHBondContact O-CB 3.47Å; A304-A308 PolarHBondContact O-N 2.87Å; K305-A308 PolarHBondContact O-N 3.02Å; K305-A308 VanDerWaalsContact O-N 3.16Å |
| 309 | E | 63.6 | Low | 70.6 | Confident | 123 Ų | 123 | 75.2 Ų | 75.2 | 58% | 0.575 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -76.6 | -20 | -178 | -71.1 | 174.1 | -153.5 | 0 | 0 | 114 | K305 M326 | K305-E309 WeakPolarHBondContact O-CB 3.39Å; K305-E309 WeakPolarHBondContact O-CG 3.39Å; K305-E309 PolarHBondContact O-N 3.35Å; E309-M326 WeakPolarHBondContact OE2-CE 3.45Å |
| 310 | T | 59.5 | Low | 70.5 | Confident | 26 Ų | 26 | 74.7 Ų | 74.7 | 16% | 0.16 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -132.7 | -13.8 | -170.3 | 77.8 | 0 | 0 | 0 | 0 | 116.1 | A306 I312 A329 | A306-T310 WeakPolarHBondContact O-CB 3.41Å; A306-T310 WeakPolarHBondContact O-CG2 3.16Å; A306-T310 PolarHBondContact O-N 3.48Å; A306-T310 VanDerWaalsContact O-N 3.09Å; A306-T310 PolarHBondContact O-OG1 3.25Å; T310-I312 WeakPolarHBondContact O-CG1 3.29Å; T310-I312 PolarHBondContact O-N 3.34Å; T310-I312 PolarHBondContact OG1-N 2.86Å; T310-A329 HydrophobicContact CG2-CB 3.82Å; T310-A329 WeakPolarHBondContact OG1-CB 3.32Å |
| 311 | G | 64.8 | Low | 70.3 | Confident | 69 Ų | 69 | 75.5 Ų | 75.5 | 71% | 0.711 | 45% | 0.451 | S | S | * | . | S | Bend | trans | 66.6 | 12.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L307 | L307-G311 VanDerWaalsContact O-CA 3.31Å; L307-G311 WeakPolarHBondContact O-CA 3.39Å; L307-G311 PolarHBondContact O-N 2.91Å |
| 312 | I | 63 | Low | 70 | Confident | 27 Ų | 27 | 76.8 Ų | 76.8 | 14% | 0.138 | 46% | 0.462 | C | S | . | . | trans | -117.1 | 111.9 | -171.2 | -67.3 | 156.8 | 0 | 0 | 0 | 109.4 | T310 F328 A329 E332 K333 | T310-I312 WeakPolarHBondContact O-CG1 3.29Å; T310-I312 PolarHBondContact O-N 3.34Å; T310-I312 PolarHBondContact OG1-N 2.86Å; I312-F328 HydrophobicContact CG2-CD1 3.84Å; I312-F328 HydrophobicContact CG2-CE1 3.85Å; I312-A329 HydrophobicContact CB-CB 4.25Å; I312-A329 HydrophobicContact CD1-CB 4.23Å; I312-A329 HydrophobicContact CG2-CB 4.38Å; I312-E332 HydrophobicContact CD1-CB 3.92Å; I312-E332 HydrophobicContact CG1-CB 4.43Å; I312-E332 HydrophobicContact CG2-CB 3.89Å; I312-E332 HydrophobicContact CG2-CG 3.71Å; I312-K333 HydrophobicContact CD1-CG 4.1Å | ||
| 313 | A | 73.8 | Confident | 69.8 | Low | 57 Ų | 57 | 72.9 Ų | 72.9 | 47% | 0.471 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 139.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L307 P315 F328 | L307-A313 VanDerWaalsContact CD2-CA 3.49Å; L307-A313 HydrophobicContact CD2-CB 3.66Å; A313-P315 VanDerWaalsContact O-CD 3.29Å; A313-P315 WeakPolarHBondContact O-CD 3.48Å; A313-F328 VanDerWaalsContact O-CE1 3.3Å; A313-F328 WeakPolarHBondContact O-CE1 3.48Å |
| 314 | V | 72.7 | Confident | 70.3 | Confident | 31 Ų | 31 | 74.2 Ų | 74.2 | 19% | 0.188 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 121.2 | 163.4 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | V323 P325 F328 | V314-V323 HydrophobicContact CG1-CG1 4.42Å; V314-P325 HydrophobicContact CG2-CB 3.68Å; V314-F328 HydrophobicContact CB-CD1 4.48Å; V314-F328 HydrophobicContact CG2-CB 3.98Å; V314-F328 HydrophobicContact CG2-CD1 4.07Å; V314-F328 HydrophobicContact CG2-CG 4.13Å |
| 315 | P | 82 | Confident | 70.5 | Confident | 35 Ų | 35 | 72.5 Ų | 72.5 | 23% | 0.227 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 143.5 | 179.4 | -25.7 | 34.1 | 0 | 0 | 0 | 112.7 | A313 Y317 Y318 F328 | A313-P315 VanDerWaalsContact O-CD 3.29Å; A313-P315 WeakPolarHBondContact O-CD 3.48Å; P315-Y317 HydrophobicContact CB-CD1 3.65Å; P315-Y317 HydrophobicContact CB-CE1 3.22Å; P315-Y317 HydrophobicContact CB-CE2 4.25Å; P315-Y317 HydrophobicContact CB-CG 4.32Å; P315-Y317 HydrophobicContact CG-CE1 4.01Å; P315-Y317 PolarHBondContact O-N 3.43Å; P315-Y318 HydrophobicContact CB-CD2 4.32Å; P315-Y318 HydrophobicContact CG-CD2 4.33Å; P315-Y318 PolarHBondContact O-N 3.3Å; P315-F328 VanDerWaalsContact CD-CE1 3.4Å; P315-F328 HydrophobicContact CG-CE1 4.25Å; P315-F328 HydrophobicContact CG-CZ 3.83Å |
| 316 | S | 75.5 | Confident | 70.6 | Confident | 128 Ų | 128 | 69.9 Ų | 69.9 | 90% | 0.895 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -12.7 | -175.4 | 53.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 317 | Y | 76.8 | Confident | 71.2 | Confident | 169 Ų | 169 | 76 Ų | 76 | 66% | 0.663 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -5.1 | 173.8 | 59.5 | -99.3 | 0 | 0 | 0 | 114 | P315 | P315-Y317 HydrophobicContact CB-CD1 3.65Å; P315-Y317 HydrophobicContact CB-CE1 3.22Å; P315-Y317 HydrophobicContact CB-CE2 4.25Å; P315-Y317 HydrophobicContact CB-CG 4.32Å; P315-Y317 HydrophobicContact CG-CE1 4.01Å; P315-Y317 PolarHBondContact O-N 3.43Å |
| 318 | Y | 75.3 | Confident | 71.6 | Confident | 98 Ų | 98 | 72.7 Ų | 72.7 | 38% | 0.384 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -98.2 | 134.3 | 168.7 | -71.8 | -65.7 | 0 | 0 | 0 | 110.9 | P315 P320 V323 F328 | P315-Y318 HydrophobicContact CB-CD2 4.32Å; P315-Y318 HydrophobicContact CG-CD2 4.33Å; P315-Y318 PolarHBondContact O-N 3.3Å; Y318-P320 WeakPolarHBondContact O-CD 3.47Å; Y318-V323 HydrophobicContact CD1-CG2 3.81Å; Y318-V323 HydrophobicContact CG-CG2 4.07Å; Y318-F328 HydrophobicContact CD2-CE2 4.11Å; Y318-F328 HydrophobicContact CE2-CD2 4.45Å; Y318-F328 AromaticContact CE2-CE2 3.71Å; Y318-F328 HydrophobicContact CE2-CE2 3.71Å; Y318-F328 HydrophobicContact CE2-CZ 4.43Å |
| 319 | N | 81.1 | Confident | 71.9 | Confident | 99 Ų | 99 | 68.4 Ų | 68.4 | 53% | 0.529 | 40% | 0.4 | S | S | . | . | trans | -66.9 | 120.1 | 172.7 | 176.9 | -12.3 | 0 | 0 | 0 | 109.8 | A321 A322 V323 | N319-A321 PolarHBondContact O-N 3.47Å; N319-A321 WeakPolarHBondContact OD1-CB 3.26Å; N319-A321 PolarHBondContact OD1-N 2.86Å; N319-A322 HydrophobicContact CB-CB 4.03Å; N319-A322 PolarHBondContact O-N 3.41Å; N319-V323 PolarHBondContact O-N 2.87Å | ||
| 320 | P | 70.4 | Confident | 72.5 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 42% | 0.422 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.8 | -176.8 | 25.6 | -34.9 | 0 | 0 | 0 | 114 | Y318 | Y318-P320 WeakPolarHBondContact O-CD 3.47Š|
| 321 | A | 68.9 | Low | 73.4 | Confident | 70 Ų | 70 | 71.3 Ų | 71.3 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -20.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N319 | N319-A321 PolarHBondContact O-N 3.47Å; N319-A321 WeakPolarHBondContact OD1-CB 3.26Å; N319-A321 PolarHBondContact OD1-N 2.86Å |
| 322 | A | 66.8 | Low | 73.9 | Confident | 80 Ų | 80 | 70.6 Ų | 70.6 | 66% | 0.661 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -27.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N319 | N319-A322 HydrophobicContact CB-CB 4.03Å; N319-A322 PolarHBondContact O-N 3.41Å |
| 323 | V | 65.3 | Low | 74.6 | Confident | 31 Ų | 31 | 74 Ų | 74 | 19% | 0.188 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -115.7 | 102.9 | -178.8 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | V314 Y318 N319 F328 | V314-V323 HydrophobicContact CG1-CG1 4.42Å; Y318-V323 HydrophobicContact CD1-CG2 3.81Å; Y318-V323 HydrophobicContact CG-CG2 4.07Å; N319-V323 PolarHBondContact O-N 2.87Å; V323-F328 HydrophobicContact CG1-CB 3.95Å; V323-F328 HydrophobicContact CG1-CD2 4.11Å; V323-F328 HydrophobicContact CG1-CG 4.38Å |
| 324 | N | 78.6 | Confident | 74.9 | Confident | 87 Ų | 87 | 76.3 Ų | 76.3 | 47% | 0.465 | 40% | 0.403 | S | S | . | . | trans | -60 | 125.1 | 174.2 | 175.6 | -56.6 | 0 | 0 | 0 | 110.3 | M326 K327 F328 | N324-M326 VanDerWaalsContact C-N 3.34Å; N324-M326 PolarHBondContact O-N 2.95Å; N324-M326 WeakPolarHBondContact OD1-CB 3.43Å; N324-M326 PolarHBondContact OD1-N 3.46Å; N324-K327 HydrophobicContact CB-CB 4.23Å; N324-K327 HydrophobicContact CB-CG 4.3Å; N324-K327 PolarHBondContact O-N 2.66Å; N324-K327 VanDerWaalsContact O-N 3.1Å; N324-K327 PolarHBondContact OD1-N 3.42Å; N324-K327 VanDerWaalsContact OD1-N 3.16Å; N324-F328 PolarHBondContact O-N 3.45Å | ||
| 325 | P | 75.5 | Confident | 75.3 | Confident | 20 Ų | 20 | 82.2 Ų | 82.2 | 13% | 0.13 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.1 | -32.7 | -171.6 | 26.1 | -35.6 | 0 | 0 | 0 | 113.3 | Q303 A306 V314 F328 A329 | Q303-P325 HydrophobicContact CG-CB 4.21Å; Q303-P325 HydrophobicContact CG-CG 4.02Å; A306-P325 HydrophobicContact CB-CB 3.78Å; A306-P325 HydrophobicContact CB-CG 4.1Å; V314-P325 HydrophobicContact CG2-CB 3.68Å; P325-F328 PolarHBondContact O-N 2.84Å; P325-A329 WeakPolarHBondContact O-CB 3.24Å; P325-A329 PolarHBondContact O-N 3.18Å |
| 326 | M | 72.5 | Confident | 75.1 | Confident | 80 Ų | 80 | 86.5 Ų | 86.5 | 39% | 0.394 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 174.8 | -62.3 | -61.3 | -86.2 | 0 | 0 | 111.3 | A306 E309 N324 F328 A329 E330 | A306-M326 HydrophobicContact CB-CG 4.39Å; A306-M326 HydrophobicContact CB-SD 3.58Å; A306-M326 VanDerWaalsContact CB-SD 3.58Å; E309-M326 WeakPolarHBondContact OE2-CE 3.45Å; N324-M326 VanDerWaalsContact C-N 3.34Å; N324-M326 PolarHBondContact O-N 2.95Å; N324-M326 WeakPolarHBondContact OD1-CB 3.43Å; N324-M326 PolarHBondContact OD1-N 3.46Å; M326-F328 VanDerWaalsContact C-N 3.34Å; M326-A329 PolarHBondContact O-N 2.89Å; M326-E330 PolarHBondContact O-N 3.35Å |
| 327 | K | 76.9 | Confident | 75.1 | Confident | 130 Ų | 130 | 88 Ų | 88 | 57% | 0.565 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -70.1 | -30.9 | 174 | -68 | -167.8 | 176.4 | -177.5 | 0 | 112.5 | N324 Q331 | N324-K327 HydrophobicContact CB-CB 4.23Å; N324-K327 HydrophobicContact CB-CG 4.3Å; N324-K327 PolarHBondContact O-N 2.66Å; N324-K327 VanDerWaalsContact O-N 3.1Å; N324-K327 PolarHBondContact OD1-N 3.42Å; N324-K327 VanDerWaalsContact OD1-N 3.16Å; K327-Q331 WeakPolarHBondContact O-CB 3.14Å; K327-Q331 VanDerWaalsContact O-CG 3.27Å; K327-Q331 WeakPolarHBondContact O-CG 3.49Å; K327-Q331 PolarHBondContact O-N 2.81Å |
| 328 | F | 74.7 | Confident | 74.8 | Confident | 11 Ų | 11 | 86.4 Ų | 86.4 | 5% | 0.048 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67.5 | -46.2 | 170.8 | -171.7 | -98 | 0 | 0 | 0 | 111.3 | I312 A313 V314 P315 Y318 V323 N324 P325 M326 E330 Q331 E332 | I312-F328 HydrophobicContact CG2-CD1 3.84Å; I312-F328 HydrophobicContact CG2-CE1 3.85Å; A313-F328 VanDerWaalsContact O-CE1 3.3Å; A313-F328 WeakPolarHBondContact O-CE1 3.48Å; V314-F328 HydrophobicContact CB-CD1 4.48Å; V314-F328 HydrophobicContact CG2-CB 3.98Å; V314-F328 HydrophobicContact CG2-CD1 4.07Å; V314-F328 HydrophobicContact CG2-CG 4.13Å; P315-F328 VanDerWaalsContact CD-CE1 3.4Å; P315-F328 HydrophobicContact CG-CE1 4.25Å; P315-F328 HydrophobicContact CG-CZ 3.83Å; Y318-F328 HydrophobicContact CD2-CE2 4.11Å; Y318-F328 HydrophobicContact CE2-CD2 4.45Å; Y318-F328 AromaticContact CE2-CE2 3.71Å; Y318-F328 HydrophobicContact CE2-CE2 3.71Å; Y318-F328 HydrophobicContact CE2-CZ 4.43Å; V323-F328 HydrophobicContact CG1-CB 3.95Å; V323-F328 HydrophobicContact CG1-CD2 4.11Å; V323-F328 HydrophobicContact CG1-CG 4.38Å; N324-F328 PolarHBondContact O-N 3.45Å; P325-F328 PolarHBondContact O-N 2.84Å; M326-F328 VanDerWaalsContact C-N 3.34Å; F328-E330 VanDerWaalsContact C-N 3.3Å; F328-E330 PolarHBondContact O-N 2.85Å; F328-Q331 WeakPolarHBondContact O-CB 3.35Å; F328-Q331 PolarHBondContact O-N 3.48Å; F328-E332 HydrophobicContact CD1-CG 4Å; F328-E332 HydrophobicContact CE1-CG 3.45Å; F328-E332 VanDerWaalsContact CE1-CG 3.45Å; F328-E332 HydrophobicContact CE2-CG 4.46Å; F328-E332 HydrophobicContact CZ-CG 3.7Å; F328-E332 WeakPolarHBondContact O-CB 3.21Å; F328-E332 PolarHBondContact O-N 3.23Å |
| 329 | A | 71.6 | Confident | 74.5 | Confident | 1 Ų | 1 | 91.9 Ų | 91.9 | 1% | 0.008 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60.4 | -36.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T310 I312 P325 M326 K333 | T310-A329 HydrophobicContact CG2-CB 3.82Å; T310-A329 WeakPolarHBondContact OG1-CB 3.32Å; I312-A329 HydrophobicContact CB-CB 4.25Å; I312-A329 HydrophobicContact CD1-CB 4.23Å; I312-A329 HydrophobicContact CG2-CB 4.38Å; P325-A329 WeakPolarHBondContact O-CB 3.24Å; P325-A329 PolarHBondContact O-N 3.18Å; M326-A329 PolarHBondContact O-N 2.89Å; A329-K333 VanDerWaalsContact O-CB 3.3Å; A329-K333 WeakPolarHBondContact O-CB 3.46Å; A329-K333 WeakPolarHBondContact O-CD 3.42Å; A329-K333 WeakPolarHBondContact O-CG 3.18Å; A329-K333 PolarHBondContact O-N 3.32Å |
| 330 | E | 77.4 | Confident | 73.9 | Confident | 90 Ų | 90 | 92.9 Ų | 92.9 | 42% | 0.421 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 168.6 | -84.3 | -170.3 | -120.2 | 0 | 0 | 112.9 | M326 F328 K333 K334 | M326-E330 PolarHBondContact O-N 3.35Å; F328-E330 VanDerWaalsContact C-N 3.3Å; F328-E330 PolarHBondContact O-N 2.85Å; E330-K333 PolarHBondContact O-N 3.04Å; E330-K334 WeakPolarHBondContact O-CB 3.36Å; E330-K334 WeakPolarHBondContact O-CD 3.16Å; E330-K334 WeakPolarHBondContact O-CG 3.46Å; E330-K334 PolarHBondContact O-N 2.63Å; E330-K334 IonicContact OE2-NZ 2.61Å; E330-K334 PolarHBondContact OE2-NZ 3.08Å |
| 331 | Q | 78.7 | Confident | 73.5 | Confident | 119 Ų | 119 | 93.2 Ų | 93.2 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 179 | -77.6 | 174.8 | 15.1 | 0 | 0 | 111.3 | K327 F328 K334 R335 | K327-Q331 WeakPolarHBondContact O-CB 3.14Å; K327-Q331 VanDerWaalsContact O-CG 3.27Å; K327-Q331 WeakPolarHBondContact O-CG 3.49Å; K327-Q331 PolarHBondContact O-N 2.81Å; F328-Q331 WeakPolarHBondContact O-CB 3.35Å; F328-Q331 PolarHBondContact O-N 3.48Å; Q331-K334 PolarHBondContact O-N 3.04Å; Q331-R335 WeakPolarHBondContact O-CB 3.37Å; Q331-R335 PolarHBondContact O-N 3.13Å |
| 332 | E | 74 | Confident | 72.7 | Confident | 55 Ų | 55 | 94.8 Ų | 94.8 | 26% | 0.257 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.4 | -46 | 172.6 | -77.1 | -97.6 | 117.1 | 0 | 0 | 111.3 | I312 F328 K334 R335 K336 | I312-E332 HydrophobicContact CD1-CB 3.92Å; I312-E332 HydrophobicContact CG1-CB 4.43Å; I312-E332 HydrophobicContact CG2-CB 3.89Å; I312-E332 HydrophobicContact CG2-CG 3.71Å; F328-E332 HydrophobicContact CD1-CG 4Å; F328-E332 HydrophobicContact CE1-CG 3.45Å; F328-E332 VanDerWaalsContact CE1-CG 3.45Å; F328-E332 HydrophobicContact CE2-CG 4.46Å; F328-E332 HydrophobicContact CZ-CG 3.7Å; F328-E332 WeakPolarHBondContact O-CB 3.21Å; F328-E332 PolarHBondContact O-N 3.23Å; E332-K334 PolarHBondContact O-N 2.95Å; E332-R335 PolarHBondContact O-N 3.27Å; E332-R335 IonicContact OE1-NH1 2.57Å; E332-R335 PolarHBondContact OE1-NH1 3.2Å; E332-K336 WeakPolarHBondContact O-CB 3.28Å; E332-K336 PolarHBondContact O-N 3.35Å |
| 333 | K | 78.2 | Confident | 72 | Confident | 99 Ų | 99 | 99.5 Ų | 99.5 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 174 | -74.8 | 167.1 | -177.3 | 178.9 | 0 | 112 | I312 A329 E330 K336 M337 | I312-K333 HydrophobicContact CD1-CG 4.1Å; A329-K333 VanDerWaalsContact O-CB 3.3Å; A329-K333 WeakPolarHBondContact O-CB 3.46Å; A329-K333 WeakPolarHBondContact O-CD 3.42Å; A329-K333 WeakPolarHBondContact O-CG 3.18Å; A329-K333 PolarHBondContact O-N 3.32Å; E330-K333 PolarHBondContact O-N 3.04Å; K333-K336 PolarHBondContact O-N 3.27Å; K333-M337 WeakPolarHBondContact O-CG 3.36Å; K333-M337 PolarHBondContact O-N 3.46Å |
| 334 | K | 80.3 | Confident | 71 | Confident | 105 Ų | 105 | 108.2 Ų | 108.2 | 46% | 0.457 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -45.7 | 176.7 | -72.3 | 163 | -171.6 | 167.9 | 0 | 111.8 | E330 Q331 E332 K336 M337 L338 | E330-K334 WeakPolarHBondContact O-CB 3.36Å; E330-K334 WeakPolarHBondContact O-CD 3.16Å; E330-K334 WeakPolarHBondContact O-CG 3.46Å; E330-K334 PolarHBondContact O-N 2.63Å; E330-K334 IonicContact OE2-NZ 2.61Å; E330-K334 PolarHBondContact OE2-NZ 3.08Å; Q331-K334 PolarHBondContact O-N 3.04Å; E332-K334 PolarHBondContact O-N 2.95Å; K334-K336 VanDerWaalsContact C-N 3.31Å; K334-K336 PolarHBondContact O-N 2.93Å; K334-M337 PolarHBondContact O-N 3.35Å; K334-L338 WeakPolarHBondContact O-CB 3.31Å; K334-L338 VanDerWaalsContact O-CG 3.31Å; K334-L338 WeakPolarHBondContact O-CG 3.49Å; K334-L338 PolarHBondContact O-N 3.39Å |
| 335 | R | 81.9 | Confident | 69.8 | Low | 155 Ų | 155 | 107.2 Ų | 107.2 | 59% | 0.585 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.7 | -43 | 172.1 | 177.8 | -174.2 | 174.7 | -158 | 2.5 | 111 | Q331 E332 L338 W339 | Q331-R335 WeakPolarHBondContact O-CB 3.37Å; Q331-R335 PolarHBondContact O-N 3.13Å; E332-R335 PolarHBondContact O-N 3.27Å; E332-R335 IonicContact OE1-NH1 2.57Å; E332-R335 PolarHBondContact OE1-NH1 3.2Å; R335-L338 PolarHBondContact O-N 2.87Å; R335-W339 WeakPolarHBondContact O-CA 3.38Å; R335-W339 WeakPolarHBondContact O-CB 3.24Å; R335-W339 PolarHBondContact O-N 2.89Å |
| 336 | K | 77.4 | Confident | 68.8 | Low | 124 Ų | 124 | 111.6 Ų | 111.6 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.7 | -31 | -179.7 | -169 | 170.7 | -174.7 | 173.5 | 0 | 112.8 | E332 K333 K334 Q340 | E332-K336 WeakPolarHBondContact O-CB 3.28Å; E332-K336 PolarHBondContact O-N 3.35Å; K333-K336 PolarHBondContact O-N 3.27Å; K334-K336 VanDerWaalsContact C-N 3.31Å; K334-K336 PolarHBondContact O-N 2.93Å; K336-Q340 HydrophobicContact CG-CG 3.76Å; K336-Q340 VanDerWaalsContact CG-NE2 3.35Å; K336-Q340 VanDerWaalsContact O-CB 3.27Å; K336-Q340 WeakPolarHBondContact O-CB 3.41Å; K336-Q340 VanDerWaalsContact O-CG 3.23Å; K336-Q340 WeakPolarHBondContact O-CG 3.41Å; K336-Q340 PolarHBondContact O-N 3.14Å; K336-Q340 PolarHBondContact O-NE2 3.32Å |
| 337 | M | 74.3 | Confident | 68.1 | Low | 159 Ų | 159 | 114.2 Ų | 114.2 | 78% | 0.783 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -78.4 | -34.1 | 170.3 | -71.1 | -164.5 | -64 | 0 | 0 | 113.7 | K333 K334 | K333-M337 WeakPolarHBondContact O-CG 3.36Å; K333-M337 PolarHBondContact O-N 3.46Å; K334-M337 PolarHBondContact O-N 3.35Å |
| 338 | L | 70.5 | Confident | 67.2 | Low | 136 Ų | 136 | 110.2 Ų | 110.2 | 71% | 0.712 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -87 | -27.9 | -176.8 | -69.2 | 170.5 | 0 | 0 | 0 | 114.4 | K334 R335 | K334-L338 WeakPolarHBondContact O-CB 3.31Å; K334-L338 VanDerWaalsContact O-CG 3.31Å; K334-L338 WeakPolarHBondContact O-CG 3.49Å; K334-L338 PolarHBondContact O-N 3.39Å; R335-L338 PolarHBondContact O-N 2.87Å |
| 339 | W | 70.1 | Confident | 66.5 | Low | 213 Ų | 213 | 116.7 Ų | 116.7 | 81% | 0.807 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -131.4 | 3 | -167.3 | -63.6 | 96 | 0 | 0 | 0 | 115.3 | R335 G341 | R335-W339 WeakPolarHBondContact O-CA 3.38Å; R335-W339 WeakPolarHBondContact O-CB 3.24Å; R335-W339 PolarHBondContact O-N 2.89Å; W339-G341 PolarHBondContact O-N 2.8Å |
| 340 | Q | 68.1 | Low | 65.9 | Low | 120 Ų | 120 | 119.6 Ų | 119.6 | 56% | 0.561 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -69.5 | 125 | 159.4 | -78.3 | -173.3 | 134.6 | 0 | 0 | 108.7 | K336 K342 | K336-Q340 HydrophobicContact CG-CG 3.76Å; K336-Q340 VanDerWaalsContact CG-NE2 3.35Å; K336-Q340 VanDerWaalsContact O-CB 3.27Å; K336-Q340 WeakPolarHBondContact O-CB 3.41Å; K336-Q340 VanDerWaalsContact O-CG 3.23Å; K336-Q340 WeakPolarHBondContact O-CG 3.41Å; K336-Q340 PolarHBondContact O-N 3.14Å; K336-Q340 PolarHBondContact O-NE2 3.32Å; Q340-K342 PolarHBondContact O-N 3.01Å; Q340-K342 VanDerWaalsContact O-N 3.09Å |
| 341 | G | 61.3 | Low | 65.3 | Low | 73 Ų | 73 | 116.4 Ų | 116.4 | 75% | 0.753 | 58% | 0.579 | S | S | * | * | trans | -56.9 | 115 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | W339 K343 | W339-G341 PolarHBondContact O-N 2.8Å; G341-K343 PolarHBondContact O-N 2.95Å | ||
| 342 | K | 52.2 | Low | 65 | Low | 103 Ų | 103 | 114.6 Ų | 114.6 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | trans | -61.5 | 125.3 | 177.1 | -170.9 | 163.5 | -179.1 | 177.8 | 0 | 107.8 | Q340 D346 K347 | Q340-K342 PolarHBondContact O-N 3.01Å; Q340-K342 VanDerWaalsContact O-N 3.09Å; K342-D346 HydrophobicContact CD-CB 4.22Å; K342-D346 VanDerWaalsContact CE-O 3.24Å; K342-D346 WeakPolarHBondContact CE-O 3.49Å; K342-D346 HydrophobicContact CG-CB 4.07Å; K342-K347 PolarHBondContact NZ-O 2.92Å | ||
| 343 | K | 52.7 | Low | 65.1 | Low | 178 Ų | 178 | 117.3 Ų | 117.3 | 77% | 0.774 | 59% | 0.586 | S | S | * | * | trans | -60 | 148.6 | -174.1 | -75.1 | -166 | 174.7 | -171.7 | 0 | 110.8 | G341 G345 D346 | G341-K343 PolarHBondContact O-N 2.95Å; K343-G345 PolarHBondContact O-N 2.95Å; K343-D346 PolarHBondContact O-N 3.17Å | ||
| 344 | E | 44 | Very low | 64.8 | Low | 214 Ų | 214 | 117.5 Ų | 117.5 | 100% | 1 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 56.5 | -168.7 | -59 | -179.5 | 125.7 | 0 | 0 | 113.8 | ||
| 345 | G | 54.2 | Low | 64.3 | Low | 66 Ų | 66 | 114.8 Ų | 114.8 | 68% | 0.68 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.9 | -34.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K343 K347 | K343-G345 PolarHBondContact O-N 2.95Å; G345-K347 PolarHBondContact O-N 3.48Å |
| 346 | D | 52.9 | Low | 63.9 | Low | 113 Ų | 113 | 114.1 Ų | 114.1 | 60% | 0.604 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -71.7 | 105.5 | 172.1 | -66.4 | -25.3 | 0 | 0 | 0 | 109.6 | K342 K343 S348 | K342-D346 HydrophobicContact CD-CB 4.22Å; K342-D346 VanDerWaalsContact CE-O 3.24Å; K342-D346 WeakPolarHBondContact CE-O 3.49Å; K342-D346 HydrophobicContact CG-CB 4.07Å; K343-D346 PolarHBondContact O-N 3.17Å; D346-S348 PolarHBondContact O-N 3.3Å |
| 347 | K | 58 | Low | 63.9 | Low | 134 Ų | 134 | 110 Ų | 110 | 58% | 0.583 | 56% | 0.558 | S | S | * | * | trans | -44.9 | 130.4 | 168.6 | -66.9 | -175.6 | 171.8 | -164.8 | 0 | 109.6 | K342 G345 Q349 E355 | K342-K347 PolarHBondContact NZ-O 2.92Å; G345-K347 PolarHBondContact O-N 3.48Å; K347-Q349 PolarHBondContact O-N 3.34Å; K347-E355 IonicContact NZ-OE1 3.2Å; K347-E355 IonicContact NZ-OE2 3.01Å; K347-E355 PolarHBondContact NZ-OE2 2.96Å | ||
| 348 | S | 59.2 | Low | 64.2 | Low | 47 Ų | 47 | 105.2 Ų | 105.2 | 33% | 0.329 | 54% | 0.535 | S | S | . | . | trans | -62.2 | 142.9 | 178.7 | 59.3 | 0 | 0 | 0 | 0 | 109.1 | D346 S350 A351 E352 | D346-S348 PolarHBondContact O-N 3.3Å; S348-S350 WeakPolarHBondContact CB-OG 3.49Å; S348-S350 PolarHBondContact O-N 3.27Å; S348-S350 PolarHBondContact OG-OG 3.25Å; S348-A351 WeakPolarHBondContact O-CA 3.3Å; S348-A351 WeakPolarHBondContact O-CB 3.38Å; S348-A351 PolarHBondContact O-N 3.09Å; S348-A351 WeakPolarHBondContact OG-CB 3.44Å; S348-A351 PolarHBondContact OG-N 3.06Å; S348-E352 PolarHBondContact O-N 2.88Å | ||
| 349 | Q | 60.2 | Low | 64.4 | Low | 147 Ų | 147 | 103.4 Ų | 103.4 | 69% | 0.687 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.9 | -30.6 | 178.8 | -76.9 | 172.8 | -33.7 | 0 | 0 | 110.6 | K347 E352 I353 | K347-Q349 PolarHBondContact O-N 3.34Å; Q349-E352 PolarHBondContact O-N 2.9Å; Q349-I353 WeakPolarHBondContact O-CB 3.44Å; Q349-I353 WeakPolarHBondContact O-CD1 3.19Å; Q349-I353 WeakPolarHBondContact O-CG1 3.48Å; Q349-I353 PolarHBondContact O-N 2.88Å |
| 350 | S | 58.2 | Low | 64.5 | Low | 62 Ų | 62 | 96.4 Ų | 96.4 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 166.5 | 45.1 | 0 | 0 | 0 | 0 | 112.7 | S348 E352 I353 W354 | S348-S350 WeakPolarHBondContact CB-OG 3.49Å; S348-S350 PolarHBondContact O-N 3.27Å; S348-S350 PolarHBondContact OG-OG 3.25Å; S350-E352 VanDerWaalsContact C-N 3.3Å; S350-E352 PolarHBondContact O-N 3.06Å; S350-I353 PolarHBondContact O-N 3.49Å; S350-W354 VanDerWaalsContact C-CD1 3.46Å; S350-W354 WeakPolarHBondContact O-CB 3.32Å; S350-W354 PolarHBondContact O-N 3.46Å |
| 351 | A | 64.3 | Low | 65.1 | Low | 22 Ų | 22 | 94.2 Ų | 94.2 | 18% | 0.182 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -57.6 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S348 W354 E355 | S348-A351 WeakPolarHBondContact O-CA 3.3Å; S348-A351 WeakPolarHBondContact O-CB 3.38Å; S348-A351 PolarHBondContact O-N 3.09Å; S348-A351 WeakPolarHBondContact OG-CB 3.44Å; S348-A351 PolarHBondContact OG-N 3.06Å; A351-W354 CarbonylContact O-C 3.57Å; A351-W354 PolarHBondContact O-N 3.47Å; A351-E355 WeakPolarHBondContact O-CB 3.35Å; A351-E355 VanDerWaalsContact O-CG 3.31Å; A351-E355 WeakPolarHBondContact O-CG 3.42Å; A351-E355 PolarHBondContact O-N 2.88Å |
| 352 | E | 73.6 | Confident | 65.9 | Low | 82 Ų | 82 | 99.2 Ų | 99.2 | 38% | 0.383 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 176.7 | -164.2 | -165.8 | 148.3 | 0 | 0 | 112.5 | S348 Q349 S350 W354 E355 K356 | S348-E352 PolarHBondContact O-N 2.88Å; Q349-E352 PolarHBondContact O-N 2.9Å; S350-E352 VanDerWaalsContact C-N 3.3Å; S350-E352 PolarHBondContact O-N 3.06Å; E352-W354 VanDerWaalsContact C-N 3.33Å; E352-W354 PolarHBondContact O-N 3.36Å; E352-E355 PolarHBondContact O-N 3.13Å; E352-K356 HydrophobicContact CG-CD 4.35Å; E352-K356 WeakPolarHBondContact O-CB 3.5Å; E352-K356 WeakPolarHBondContact O-CG 3.31Å; E352-K356 PolarHBondContact O-N 3.09Å; E352-K356 IonicContact OE1-NZ 2.86Å; E352-K356 PolarHBondContact OE1-NZ 2.83Å |
| 353 | I | 75.5 | Confident | 67.3 | Low | 112 Ų | 112 | 98.8 Ų | 98.8 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.5 | -39.7 | 174.3 | -70.9 | 163 | 0 | 0 | 0 | 111.1 | Q349 S350 L357 | Q349-I353 WeakPolarHBondContact O-CB 3.44Å; Q349-I353 WeakPolarHBondContact O-CD1 3.19Å; Q349-I353 WeakPolarHBondContact O-CG1 3.48Å; Q349-I353 PolarHBondContact O-N 2.88Å; S350-I353 PolarHBondContact O-N 3.49Å; I353-L357 PolarHBondContact O-N 3.25Å |
| 354 | W | 70.9 | Confident | 68.7 | Low | 102 Ų | 102 | 95.4 Ų | 95.4 | 39% | 0.386 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -75.1 | -31.5 | 177 | -62.9 | 132.8 | 0 | 0 | 0 | 112.8 | S350 A351 E352 K356 L357 F368 M372 I374 | S350-W354 VanDerWaalsContact C-CD1 3.46Å; S350-W354 WeakPolarHBondContact O-CB 3.32Å; S350-W354 PolarHBondContact O-N 3.46Å; A351-W354 CarbonylContact O-C 3.57Å; A351-W354 PolarHBondContact O-N 3.47Å; E352-W354 VanDerWaalsContact C-N 3.33Å; E352-W354 PolarHBondContact O-N 3.36Å; W354-K356 VanDerWaalsContact C-N 3.34Å; W354-L357 HydrophobicContact CE3-CD2 3.72Å; W354-L357 HydrophobicContact CZ3-CD2 3.8Å; W354-L357 PolarHBondContact O-N 3.45Å; W354-F368 HydrophobicContact CB-CE1 3.95Å; W354-F368 HydrophobicContact CB-CZ 4.19Å; W354-F368 AromaticContact CD2-CZ 3.97Å; W354-F368 HydrophobicContact CD2-CZ 3.97Å; W354-F368 HydrophobicContact CE3-CE1 4.21Å; W354-F368 AromaticContact CE3-CZ 3.55Å; W354-F368 HydrophobicContact CE3-CZ 3.55Å; W354-F368 HydrophobicContact CG-CZ 4.27Å; W354-F368 HydrophobicContact CZ3-CZ 4.18Å; W354-M372 VanDerWaalsContact CD1-CE 3.48Å; W354-M372 HydrophobicContact CD2-CE 4.01Å; W354-M372 HydrophobicContact CG-CE 3.88Å; W354-M372 HydrophobicContact CZ2-CE 4.37Å; W354-I374 HydrophobicContact CB-CD1 3.98Å |
| 355 | E | 69.9 | Low | 70.4 | Confident | 48 Ų | 48 | 86.3 Ų | 86.3 | 22% | 0.224 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 171.5 | -79.2 | -165.9 | 129 | 0 | 0 | 111.5 | K347 A351 E352 L357 R369 I374 | K347-E355 IonicContact NZ-OE1 3.2Å; K347-E355 IonicContact NZ-OE2 3.01Å; K347-E355 PolarHBondContact NZ-OE2 2.96Å; A351-E355 WeakPolarHBondContact O-CB 3.35Å; A351-E355 VanDerWaalsContact O-CG 3.31Å; A351-E355 WeakPolarHBondContact O-CG 3.42Å; A351-E355 PolarHBondContact O-N 2.88Å; E352-E355 PolarHBondContact O-N 3.13Å; E355-L357 VanDerWaalsContact C-N 3.32Å; E355-R369 IonicContact OE1-CZ 2.78Å; E355-R369 IonicContact OE1-NH2 2.59Å; E355-R369 PolarHBondContact OE1-NH2 2.91Å; E355-I374 HydrophobicContact CG-CD1 3.88Å; E355-I374 HydrophobicContact CG-CG1 4.38Å; E355-I374 HydrophobicContact CG-CG2 3.77Å; E355-I374 VanDerWaalsContact OE1-CG2 3.29Å; E355-I374 WeakPolarHBondContact OE1-CG2 3.42Å |
| 356 | K | 74.3 | Confident | 71.8 | Confident | 142 Ų | 142 | 87.5 Ų | 87.5 | 62% | 0.617 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -78.4 | -10.6 | 177.8 | -70.8 | 172 | 174.5 | 177.6 | 0 | 113.9 | E352 W354 N358 | E352-K356 HydrophobicContact CG-CD 4.35Å; E352-K356 WeakPolarHBondContact O-CB 3.5Å; E352-K356 WeakPolarHBondContact O-CG 3.31Å; E352-K356 PolarHBondContact O-N 3.09Å; E352-K356 IonicContact OE1-NZ 2.86Å; E352-K356 PolarHBondContact OE1-NZ 2.83Å; W354-K356 VanDerWaalsContact C-N 3.34Å; K356-N358 PolarHBondContact O-N 2.88Å |
| 357 | L | 76.6 | Confident | 73.4 | Confident | 37 Ų | 37 | 88.1 Ų | 88.1 | 19% | 0.194 | 45% | 0.448 | C | S | . | . | trans | -79 | 109.7 | -178.8 | -173.7 | 63.4 | 0 | 0 | 0 | 111.3 | I353 W354 E355 F359 N365 F368 | I353-L357 PolarHBondContact O-N 3.25Å; W354-L357 HydrophobicContact CE3-CD2 3.72Å; W354-L357 HydrophobicContact CZ3-CD2 3.8Å; W354-L357 PolarHBondContact O-N 3.45Å; E355-L357 VanDerWaalsContact C-N 3.32Å; L357-F359 HydrophobicContact CD2-CE1 4.09Å; L357-F359 HydrophobicContact CD2-CE2 4.15Å; L357-F359 HydrophobicContact CD2-CZ 3.49Å; L357-F359 VanDerWaalsContact CD2-CZ 3.49Å; L357-F359 HydrophobicContact CG-CE1 4.31Å; L357-F359 HydrophobicContact CG-CE2 4.16Å; L357-F359 HydrophobicContact CG-CZ 3.85Å; L357-N365 PolarHBondContact O-ND2 2.91Å; L357-F368 HydrophobicContact CD2-CE1 4.33Å; L357-F368 HydrophobicContact CD2-CZ 4.19Å | ||
| 358 | N | 80.7 | Confident | 74.6 | Confident | 58 Ų | 58 | 83.4 Ų | 83.4 | 31% | 0.31 | 43% | 0.428 | S | S | . | . | trans | -113.9 | 109.4 | -175 | -168 | 6 | 0 | 0 | 0 | 113.5 | K356 G360 N365 L393 | K356-N358 PolarHBondContact O-N 2.88Å; N358-G360 PolarHBondContact O-N 2.65Å; N358-G360 VanDerWaalsContact O-N 3.13Å; N358-G360 PolarHBondContact OD1-N 3.4Å; N358-N365 PolarHBondContact OD1-ND2 2.85Å; N358-L393 WeakPolarHBondContact O-CD2 3.49Å | ||
| 359 | F | 76.6 | Confident | 75.9 | Confident | 99 Ų | 99 | 84.6 Ų | 84.6 | 43% | 0.434 | 43% | 0.425 | S | S | . | . | trans | -75.7 | 8.7 | 179.3 | -55.8 | -81.6 | 0 | 0 | 0 | 114.6 | L357 N361 F368 | L357-F359 HydrophobicContact CD2-CE1 4.09Å; L357-F359 HydrophobicContact CD2-CE2 4.15Å; L357-F359 HydrophobicContact CD2-CZ 3.49Å; L357-F359 VanDerWaalsContact CD2-CZ 3.49Å; L357-F359 HydrophobicContact CG-CE1 4.31Å; L357-F359 HydrophobicContact CG-CE2 4.16Å; L357-F359 HydrophobicContact CG-CZ 3.85Å; F359-N361 PolarHBondContact O-N 3.48Å; F359-F368 HydrophobicContact CD2-CB 4.49Å; F359-F368 HydrophobicContact CE2-CB 3.9Å; F359-F368 AromaticContact CE2-CD1 3.71Å; F359-F368 HydrophobicContact CE2-CD1 3.71Å; F359-F368 AromaticContact CE2-CD2 3.98Å; F359-F368 HydrophobicContact CE2-CD2 3.98Å; F359-F368 HydrophobicContact CE2-CE1 4.21Å; F359-F368 HydrophobicContact CE2-CE2 4.46Å; F359-F368 AromaticContact CE2-CG 3.57Å; F359-F368 HydrophobicContact CE2-CG 3.57Å; F359-F368 HydrophobicContact CZ-CD1 4.38Å; F359-F368 HydrophobicContact CZ-CD2 4.09Å; F359-F368 HydrophobicContact CZ-CE2 4.27Å; F359-F368 HydrophobicContact CZ-CG 4.16Å; F359-F368 HydrophobicContact CZ-CZ 4.49Å | ||
| 360 | G | 71.7 | Confident | 77.2 | Confident | 66 Ų | 66 | 86 Ų | 86 | 68% | 0.68 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 71.7 | -23.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N358 | N358-G360 PolarHBondContact O-N 2.65Å; N358-G360 VanDerWaalsContact O-N 3.13Å; N358-G360 PolarHBondContact OD1-N 3.4Å |
| 361 | N | 79.3 | Confident | 78.6 | Confident | 73 Ų | 73 | 90 Ų | 90 | 39% | 0.39 | 45% | 0.445 | S | S | . | . | trans | -99.9 | 113.1 | 173.8 | -175.6 | -16.2 | 0 | 0 | 0 | 110.8 | F359 D363 Q364 N365 | F359-N361 PolarHBondContact O-N 3.48Å; N361-D363 VanDerWaalsContact C-N 3.28Å; N361-D363 PolarHBondContact O-N 2.82Å; N361-D363 WeakPolarHBondContact OD1-CB 3.33Å; N361-D363 PolarHBondContact OD1-N 2.97Å; N361-D363 VanDerWaalsContact OD1-N 3.13Å; N361-Q364 HydrophobicContact CB-CB 4.14Å; N361-Q364 HydrophobicContact CB-CG 4.12Å; N361-Q364 PolarHBondContact O-N 3.25Å; N361-Q364 VanDerWaalsContact O-N 3.08Å; N361-N365 PolarHBondContact O-N 2.58Å | ||
| 362 | K | 79.3 | Confident | 79.4 | Confident | 178 Ų | 178 | 92.7 Ų | 92.7 | 77% | 0.774 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -53.3 | -43.8 | -179 | -62.7 | -174.1 | 178.3 | -172.6 | 0 | 112.4 | Q364 N365 V366 | K362-Q364 VanDerWaalsContact C-N 3.33Å; K362-Q364 PolarHBondContact O-N 3.27Å; K362-N365 PolarHBondContact O-N 3.3Å; K362-V366 WeakPolarHBondContact O-CG2 3.37Å; K362-V366 PolarHBondContact O-N 3.18Å |
| 363 | D | 81.4 | Confident | 79.5 | Confident | 95 Ų | 95 | 91.6 Ų | 91.6 | 51% | 0.508 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 179.2 | -107.1 | 46.1 | 0 | 0 | 0 | 112.7 | N361 K367 | N361-D363 VanDerWaalsContact C-N 3.28Å; N361-D363 PolarHBondContact O-N 2.82Å; N361-D363 WeakPolarHBondContact OD1-CB 3.33Å; N361-D363 PolarHBondContact OD1-N 2.97Å; N361-D363 VanDerWaalsContact OD1-N 3.13Å; D363-K367 WeakPolarHBondContact O-CB 3.09Å; D363-K367 WeakPolarHBondContact O-CD 3.44Å; D363-K367 WeakPolarHBondContact O-CE 3.44Å; D363-K367 WeakPolarHBondContact O-CG 3.32Å; D363-K367 PolarHBondContact O-N 3.44Å; D363-K367 VanDerWaalsContact O-N 3.1Å; D363-K367 IonicContact OD2-NZ 2.93Å; D363-K367 PolarHBondContact OD2-NZ 3.37Å |
| 364 | Q | 82.1 | Confident | 79.8 | Confident | 106 Ų | 106 | 87.2 Ų | 87.2 | 50% | 0.495 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -73.4 | -37.8 | 178.3 | -70 | 178.2 | -23.6 | 0 | 0 | 110.8 | N361 K362 K367 F368 | N361-Q364 HydrophobicContact CB-CB 4.14Å; N361-Q364 HydrophobicContact CB-CG 4.12Å; N361-Q364 PolarHBondContact O-N 3.25Å; N361-Q364 VanDerWaalsContact O-N 3.08Å; K362-Q364 VanDerWaalsContact C-N 3.33Å; K362-Q364 PolarHBondContact O-N 3.27Å; Q364-K367 PolarHBondContact O-N 2.94Å; Q364-F368 WeakPolarHBondContact O-CB 3.35Å; Q364-F368 PolarHBondContact O-N 2.86Å |
| 365 | N | 80.4 | Confident | 79.6 | Confident | 23 Ų | 23 | 89.7 Ų | 89.7 | 12% | 0.123 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 176.2 | -161.6 | -22.6 | 0 | 0 | 0 | 111.8 | L357 N358 N361 K362 K367 F368 R369 | L357-N365 PolarHBondContact O-ND2 2.91Å; N358-N365 PolarHBondContact OD1-ND2 2.85Å; N361-N365 PolarHBondContact O-N 2.58Å; K362-N365 PolarHBondContact O-N 3.3Å; N365-K367 PolarHBondContact O-N 2.78Å; N365-F368 WeakPolarHBondContact O-CB 3.43Å; N365-F368 PolarHBondContact O-N 3.43Å; N365-F368 VanDerWaalsContact O-N 3.14Å; N365-R369 WeakPolarHBondContact O-CG 3.49Å; N365-R369 PolarHBondContact O-N 3.23Å |
| 366 | V | 83.6 | Confident | 78.9 | Confident | 91 Ų | 91 | 91 Ų | 91 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | 173.8 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | K362 F368 K370 | K362-V366 WeakPolarHBondContact O-CG2 3.37Å; K362-V366 PolarHBondContact O-N 3.18Å; V366-F368 VanDerWaalsContact C-N 3.32Å; V366-F368 PolarHBondContact O-N 2.71Å; V366-K370 VanDerWaalsContact O-CB 3.24Å; V366-K370 WeakPolarHBondContact O-CB 3.39Å; V366-K370 PolarHBondContact O-N 3.42Å |
| 367 | K | 86.2 | Confident | 77.6 | Confident | 127 Ų | 127 | 90.5 Ų | 90.5 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.9 | -37.3 | 175.1 | -71.8 | 160.8 | -159.6 | 157.8 | 0 | 111.7 | D363 Q364 N365 L371 | D363-K367 WeakPolarHBondContact O-CB 3.09Å; D363-K367 WeakPolarHBondContact O-CD 3.44Å; D363-K367 WeakPolarHBondContact O-CE 3.44Å; D363-K367 WeakPolarHBondContact O-CG 3.32Å; D363-K367 PolarHBondContact O-N 3.44Å; D363-K367 VanDerWaalsContact O-N 3.1Å; D363-K367 IonicContact OD2-NZ 2.93Å; D363-K367 PolarHBondContact OD2-NZ 3.37Å; Q364-K367 PolarHBondContact O-N 2.94Å; N365-K367 PolarHBondContact O-N 2.78Å; K367-L371 WeakPolarHBondContact O-CB 3.26Å; K367-L371 PolarHBondContact O-N 3.16Å |
| 368 | F | 83.7 | Confident | 75.9 | Confident | 35 Ų | 35 | 95.5 Ų | 95.5 | 15% | 0.154 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -67.5 | -52.5 | 176.4 | 176.4 | -102.5 | 0 | 0 | 0 | 112.2 | W354 L357 F359 Q364 N365 V366 K370 L371 M372 | W354-F368 HydrophobicContact CB-CE1 3.95Å; W354-F368 HydrophobicContact CB-CZ 4.19Å; W354-F368 AromaticContact CD2-CZ 3.97Å; W354-F368 HydrophobicContact CD2-CZ 3.97Å; W354-F368 HydrophobicContact CE3-CE1 4.21Å; W354-F368 AromaticContact CE3-CZ 3.55Å; W354-F368 HydrophobicContact CE3-CZ 3.55Å; W354-F368 HydrophobicContact CG-CZ 4.27Å; W354-F368 HydrophobicContact CZ3-CZ 4.18Å; L357-F368 HydrophobicContact CD2-CE1 4.33Å; L357-F368 HydrophobicContact CD2-CZ 4.19Å; F359-F368 HydrophobicContact CD2-CB 4.49Å; F359-F368 HydrophobicContact CE2-CB 3.9Å; F359-F368 AromaticContact CE2-CD1 3.71Å; F359-F368 HydrophobicContact CE2-CD1 3.71Å; F359-F368 AromaticContact CE2-CD2 3.98Å; F359-F368 HydrophobicContact CE2-CD2 3.98Å; F359-F368 HydrophobicContact CE2-CE1 4.21Å; F359-F368 HydrophobicContact CE2-CE2 4.46Å; F359-F368 AromaticContact CE2-CG 3.57Å; F359-F368 HydrophobicContact CE2-CG 3.57Å; F359-F368 HydrophobicContact CZ-CD1 4.38Å; F359-F368 HydrophobicContact CZ-CD2 4.09Å; F359-F368 HydrophobicContact CZ-CE2 4.27Å; F359-F368 HydrophobicContact CZ-CG 4.16Å; F359-F368 HydrophobicContact CZ-CZ 4.49Å; Q364-F368 WeakPolarHBondContact O-CB 3.35Å; Q364-F368 PolarHBondContact O-N 2.86Å; N365-F368 WeakPolarHBondContact O-CB 3.43Å; N365-F368 PolarHBondContact O-N 3.43Å; N365-F368 VanDerWaalsContact O-N 3.14Å; V366-F368 VanDerWaalsContact C-N 3.32Å; V366-F368 PolarHBondContact O-N 2.71Å; F368-K370 VanDerWaalsContact C-N 3.3Å; F368-K370 PolarHBondContact O-N 3.08Å; F368-L371 WeakPolarHBondContact O-CB 3.38Å; F368-L371 PolarHBondContact O-N 2.83Å; F368-M372 HydrophobicContact CD1-CG 4.32Å; F368-M372 HydrophobicContact CD2-CG 4.02Å; F368-M372 HydrophobicContact CE1-CG 3.94Å; F368-M372 HydrophobicContact CE2-CG 3.6Å; F368-M372 HydrophobicContact CE2-SD 3.98Å; F368-M372 HydrophobicContact CG-CG 4.35Å; F368-M372 HydrophobicContact CZ-CE 4.49Å; F368-M372 HydrophobicContact CZ-CG 3.55Å; F368-M372 HydrophobicContact CZ-SD 4.17Å; F368-M372 WeakPolarHBondContact O-CB 3.39Å; F368-M372 VanDerWaalsContact O-CG 3.31Å; F368-M372 WeakPolarHBondContact O-CG 3.46Å; F368-M372 PolarHBondContact O-N 3.35Å |
| 369 | R | 85.7 | Confident | 74.6 | Confident | 71 Ų | 71 | 102.6 Ų | 102.6 | 27% | 0.268 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -54.8 | -46.8 | 176 | -69.5 | -179.8 | 78.6 | -162.1 | 5 | 110.9 | E355 N365 L371 M372 G373 I374 | E355-R369 IonicContact OE1-CZ 2.78Å; E355-R369 IonicContact OE1-NH2 2.59Å; E355-R369 PolarHBondContact OE1-NH2 2.91Å; N365-R369 WeakPolarHBondContact O-CG 3.49Å; N365-R369 PolarHBondContact O-N 3.23Å; R369-L371 PolarHBondContact O-N 3.48Å; R369-M372 PolarHBondContact O-N 2.95Å; R369-G373 PolarHBondContact O-N 3.46Å; R369-I374 HydrophobicContact CB-CB 4.01Å; R369-I374 HydrophobicContact CB-CG2 4.19Å; R369-I374 HydrophobicContact CG-CD1 4.33Å; R369-I374 HydrophobicContact CG-CG2 4.39Å; R369-I374 WeakPolarHBondContact O-CB 3.26Å; R369-I374 PolarHBondContact O-N 3.26Å |
| 370 | K | 86.8 | Confident | 73 | Confident | 177 Ų | 177 | 102 Ų | 102 | 77% | 0.77 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.9 | -35.8 | 176.1 | -170.4 | 167.2 | -173.1 | 164.7 | 0 | 113.8 | V366 F368 | V366-K370 VanDerWaalsContact O-CB 3.24Å; V366-K370 WeakPolarHBondContact O-CB 3.39Å; V366-K370 PolarHBondContact O-N 3.42Å; F368-K370 VanDerWaalsContact C-N 3.3Å; F368-K370 PolarHBondContact O-N 3.08Å |
| 371 | L | 87.2 | Confident | 71.3 | Confident | 146 Ų | 146 | 102.5 Ų | 102.5 | 76% | 0.764 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -71.6 | -36.4 | 175.4 | -179 | 65.4 | 0 | 0 | 0 | 112.2 | K367 F368 R369 G373 | K367-L371 WeakPolarHBondContact O-CB 3.26Å; K367-L371 PolarHBondContact O-N 3.16Å; F368-L371 WeakPolarHBondContact O-CB 3.38Å; F368-L371 PolarHBondContact O-N 2.83Å; R369-L371 PolarHBondContact O-N 3.48Å; L371-G373 PolarHBondContact O-N 2.83Å |
| 372 | M | 82 | Confident | 68.9 | Low | 78 Ų | 78 | 105.4 Ų | 105.4 | 38% | 0.384 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.8 | 4.6 | 178.2 | -64.8 | -59.6 | -70.8 | 0 | 0 | 113.6 | W354 F368 R369 I374 | W354-M372 VanDerWaalsContact CD1-CE 3.48Å; W354-M372 HydrophobicContact CD2-CE 4.01Å; W354-M372 HydrophobicContact CG-CE 3.88Å; W354-M372 HydrophobicContact CZ2-CE 4.37Å; F368-M372 HydrophobicContact CD1-CG 4.32Å; F368-M372 HydrophobicContact CD2-CG 4.02Å; F368-M372 HydrophobicContact CE1-CG 3.94Å; F368-M372 HydrophobicContact CE2-CG 3.6Å; F368-M372 HydrophobicContact CE2-SD 3.98Å; F368-M372 HydrophobicContact CG-CG 4.35Å; F368-M372 HydrophobicContact CZ-CE 4.49Å; F368-M372 HydrophobicContact CZ-CG 3.55Å; F368-M372 HydrophobicContact CZ-SD 4.17Å; F368-M372 WeakPolarHBondContact O-CB 3.39Å; F368-M372 VanDerWaalsContact O-CG 3.31Å; F368-M372 WeakPolarHBondContact O-CG 3.46Å; F368-M372 PolarHBondContact O-N 3.35Å; R369-M372 PolarHBondContact O-N 2.95Å; M372-I374 HydrophobicContact CB-CD1 4.05Å; M372-I374 HydrophobicContact CB-CG1 4.25Å; M372-I374 PolarHBondContact O-N 2.88Å |
| 373 | G | 76.4 | Confident | 66.9 | Low | 60 Ų | 60 | 102.2 Ų | 102.2 | 62% | 0.619 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.2 | 8.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R369 L371 K375 | R369-G373 PolarHBondContact O-N 3.46Å; L371-G373 PolarHBondContact O-N 2.83Å; G373-K375 PolarHBondContact O-N 3.12Å |
| 374 | I | 80.3 | Confident | 64.8 | Low | 19 Ų | 19 | 102 Ų | 102 | 10% | 0.097 | 58% | 0.578 | C | S | . | * | trans | -72.7 | 98.7 | 174.4 | -62 | 163 | 0 | 0 | 0 | 107.3 | W354 E355 R369 M372 S376 | W354-I374 HydrophobicContact CB-CD1 3.98Å; E355-I374 HydrophobicContact CG-CD1 3.88Å; E355-I374 HydrophobicContact CG-CG1 4.38Å; E355-I374 HydrophobicContact CG-CG2 3.77Å; E355-I374 VanDerWaalsContact OE1-CG2 3.29Å; E355-I374 WeakPolarHBondContact OE1-CG2 3.42Å; R369-I374 HydrophobicContact CB-CB 4.01Å; R369-I374 HydrophobicContact CB-CG2 4.19Å; R369-I374 HydrophobicContact CG-CD1 4.33Å; R369-I374 HydrophobicContact CG-CG2 4.39Å; R369-I374 WeakPolarHBondContact O-CB 3.26Å; R369-I374 PolarHBondContact O-N 3.26Å; M372-I374 HydrophobicContact CB-CD1 4.05Å; M372-I374 HydrophobicContact CB-CG1 4.25Å; M372-I374 PolarHBondContact O-N 2.88Å; I374-S376 PolarHBondContact O-N 2.94Å; I374-S376 VanDerWaalsContact O-N 3.14Å | ||
| 375 | K | 66.9 | Low | 63.2 | Low | 154 Ų | 154 | 101 Ų | 101 | 67% | 0.67 | 58% | 0.579 | S | S | * | * | trans | -70.1 | 104.5 | 171.7 | -59.7 | 176 | 81.8 | -152.1 | 0 | 107.9 | G373 E377 | G373-K375 PolarHBondContact O-N 3.12Å; K375-E377 HydrophobicContact CB-CG 3.91Å; K375-E377 WeakPolarHBondContact CD-OE1 3.47Å; K375-E377 WeakPolarHBondContact CE-OE1 3.32Å; K375-E377 IonicContact NZ-OE1 3.62Å; K375-E377 PolarHBondContact NZ-OE1 3.4Å; K375-E377 IonicContact NZ-OE2 2.91Å; K375-E377 PolarHBondContact O-N 2.89Å | ||
| 376 | S | 55.4 | Low | 61.6 | Low | 77 Ų | 77 | 104.3 Ų | 104.3 | 54% | 0.538 | 60% | 0.597 | S | S | . | * | trans | -73.2 | 85.5 | 159.4 | 55.2 | 0 | 0 | 0 | 0 | 107.7 | I374 | I374-S376 PolarHBondContact O-N 2.94Å; I374-S376 VanDerWaalsContact O-N 3.14Å | ||
| 377 | E | 47.5 | Very low | 60.2 | Low | 130 Ų | 130 | 105.8 Ų | 105.8 | 61% | 0.607 | 60% | 0.597 | S | S | * | * | trans | -80.9 | 142.3 | 163.2 | -53.8 | -171.2 | -134.9 | 0 | 0 | 106.2 | K375 | K375-E377 HydrophobicContact CB-CG 3.91Å; K375-E377 WeakPolarHBondContact CD-OE1 3.47Å; K375-E377 WeakPolarHBondContact CE-OE1 3.32Å; K375-E377 IonicContact NZ-OE1 3.62Å; K375-E377 PolarHBondContact NZ-OE1 3.4Å; K375-E377 IonicContact NZ-OE2 2.91Å; K375-E377 PolarHBondContact O-N 2.89Å | ||
| 378 | D | 40.7 | Very low | 58.8 | Low | 142 Ų | 142 | 106.6 Ų | 106.6 | 76% | 0.759 | 60% | 0.603 | S | S | * | * | trans | 67.7 | 111.4 | -167.3 | -53.1 | -38.1 | 0 | 0 | 0 | 117.9 | A380 | D378-A380 HydrophobicContact CB-CB 4.33Å; D378-A380 PolarHBondContact O-N 3.29Å | ||
| 379 | E | 53.2 | Low | 57.6 | Low | 208 Ų | 208 | 106.4 Ų | 106.4 | 97% | 0.972 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -74 | 55.7 | 158.6 | -85.5 | -80.3 | 174.1 | 0 | 0 | 110 | ||
| 380 | A | 42.3 | Very low | 56.4 | Low | 87 Ų | 87 | 109.4 Ų | 109.4 | 72% | 0.719 | 62% | 0.619 | S | S | * | * | trans | -150.3 | 86.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | D378 | D378-A380 HydrophobicContact CB-CB 4.33Å; D378-A380 PolarHBondContact O-N 3.29Å | ||
| 381 | G | 37.9 | Very low | 55.7 | Low | 76 Ų | 76 | 105.9 Ų | 105.9 | 78% | 0.784 | 60% | 0.603 | S | S | * | * | trans | 129.6 | 76.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 382 | C | 28.1 | Very low | 55 | Low | 133 Ų | 133 | 102 Ų | 102 | 90% | 0.899 | 59% | 0.586 | S | S | * | * | trans | -138.5 | 47.3 | 165.9 | -168.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 383 | S | 36.4 | Very low | 54.7 | Low | 111 Ų | 111 | 101 Ų | 101 | 78% | 0.776 | 58% | 0.581 | S | S | * | * | trans | -111.5 | -10.9 | 175.6 | 50.6 | 0 | 0 | 0 | 0 | 114.1 | V385 | S383-V385 PolarHBondContact O-N 3.26Š| ||
| 384 | S | 39 | Very low | 54.7 | Low | 92 Ų | 92 | 105.3 Ų | 105.3 | 64% | 0.643 | 58% | 0.583 | S | S | * | * | trans | -80.8 | 99 | 165.4 | -154.2 | 0 | 0 | 0 | 0 | 108.9 | D386 | S384-D386 VanDerWaalsContact C-N 3.3Å; S384-D386 WeakPolarHBondContact CB-OD1 3.37Å; S384-D386 PolarHBondContact O-N 3.07Å; S384-D386 PolarHBondContact OG-OD1 2.96Å | ||
| 385 | V | 47.1 | Very low | 54.8 | Low | 83 Ų | 83 | 109.9 Ų | 109.9 | 50% | 0.503 | 60% | 0.604 | S | S | . | * | trans | -91.5 | 76.5 | 170.6 | -152.5 | 0 | 0 | 0 | 0 | 106.9 | S383 E387 Y390 | S383-V385 PolarHBondContact O-N 3.26Å; V385-E387 PolarHBondContact O-N 3.32Å; V385-Y390 HydrophobicContact CB-CE2 4.09Å; V385-Y390 HydrophobicContact CG1-CD2 4.36Å; V385-Y390 HydrophobicContact CG1-CE2 3.44Å; V385-Y390 VanDerWaalsContact CG1-CE2 3.44Å | ||
| 386 | D | 47.2 | Very low | 55.3 | Low | 93 Ų | 93 | 106.5 Ų | 106.5 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | trans | -53.8 | 129.6 | -169.9 | -57.7 | -29.1 | 0 | 0 | 0 | 110.5 | S384 E388 S389 | S384-D386 VanDerWaalsContact C-N 3.3Å; S384-D386 WeakPolarHBondContact CB-OD1 3.37Å; S384-D386 PolarHBondContact O-N 3.07Å; S384-D386 PolarHBondContact OG-OD1 2.96Å; D386-E388 PolarHBondContact O-N 3.4Å; D386-S389 VanDerWaalsContact O-CB 3.32Å; D386-S389 WeakPolarHBondContact O-CB 3.27Å; D386-S389 PolarHBondContact O-N 3.47Å; D386-S389 PolarHBondContact O-OG 2.94Å | ||
| 387 | E | 55.2 | Low | 56.5 | Low | 122 Ų | 122 | 107.7 Ų | 107.7 | 57% | 0.57 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -52.8 | -25.5 | 179.8 | -94.2 | -72.6 | 135.1 | 0 | 0 | 113.1 | V385 Y390 K391 | V385-E387 PolarHBondContact O-N 3.32Å; E387-Y390 PolarHBondContact O-N 3.12Å; E387-K391 WeakPolarHBondContact O-CD 3.37Å; E387-K391 WeakPolarHBondContact O-CE 3.48Å; E387-K391 VanDerWaalsContact O-CG 3.24Å; E387-K391 WeakPolarHBondContact O-CG 3.34Å; E387-K391 PolarHBondContact O-N 3.16Å; E387-K391 VanDerWaalsContact O-N 3.11Å; E387-K391 VanDerWaalsContact OE2-CE 3.28Å; E387-K391 WeakPolarHBondContact OE2-CE 3.01Å; E387-K391 IonicContact OE2-NZ 3.96Å |
| 388 | E | 55.6 | Low | 58.4 | Low | 144 Ų | 144 | 107 Ų | 107 | 67% | 0.673 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.4 | -27.5 | 175.4 | -53.6 | -161.4 | 145.6 | 0 | 0 | 113.7 | D386 K391 T392 | D386-E388 PolarHBondContact O-N 3.4Å; E388-K391 PolarHBondContact O-N 2.79Å; E388-T392 WeakPolarHBondContact O-CB 3.32Å; E388-T392 WeakPolarHBondContact O-CG2 3.29Å; E388-T392 PolarHBondContact O-N 3.32Å; E388-T392 PolarHBondContact O-OG1 2.86Å |
| 389 | S | 58.3 | Low | 60.7 | Low | 32 Ų | 32 | 104.2 Ų | 104.2 | 22% | 0.224 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -66.6 | -40.4 | 171.9 | 73.1 | 0 | 0 | 0 | 0 | 111.4 | D386 T392 L393 | D386-S389 VanDerWaalsContact O-CB 3.32Å; D386-S389 WeakPolarHBondContact O-CB 3.27Å; D386-S389 PolarHBondContact O-N 3.47Å; D386-S389 PolarHBondContact O-OG 2.94Å; S389-T392 WeakPolarHBondContact CA-OG1 3.41Å; S389-T392 PolarHBondContact O-OG1 3.19Å; S389-T392 VanDerWaalsContact O-OG1 3.09Å; S389-L393 WeakPolarHBondContact O-CB 3.44Å; S389-L393 VanDerWaalsContact O-CG 3.26Å; S389-L393 WeakPolarHBondContact O-CG 3.37Å; S389-L393 PolarHBondContact O-N 3.39Å |
| 390 | Y | 62 | Low | 62.5 | Low | 133 Ų | 133 | 100.5 Ų | 100.5 | 52% | 0.522 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.5 | -38.4 | 173.2 | -73.9 | -67.4 | 0 | 0 | 0 | 112.3 | V385 E387 K394 | V385-Y390 HydrophobicContact CB-CE2 4.09Å; V385-Y390 HydrophobicContact CG1-CD2 4.36Å; V385-Y390 HydrophobicContact CG1-CE2 3.44Å; V385-Y390 VanDerWaalsContact CG1-CE2 3.44Å; E387-Y390 PolarHBondContact O-N 3.12Å; Y390-K394 VanDerWaalsContact O-CB 3.28Å; Y390-K394 WeakPolarHBondContact O-CB 3.22Å; Y390-K394 PolarHBondContact O-N 3.36Å |
| 391 | K | 71.8 | Confident | 64.9 | Low | 104 Ų | 104 | 103.6 Ų | 103.6 | 45% | 0.452 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 176.1 | -68.2 | 159 | -161.1 | 168.8 | 0 | 111.7 | E387 E388 K394 Q395 | E387-K391 WeakPolarHBondContact O-CD 3.37Å; E387-K391 WeakPolarHBondContact O-CE 3.48Å; E387-K391 VanDerWaalsContact O-CG 3.24Å; E387-K391 WeakPolarHBondContact O-CG 3.34Å; E387-K391 PolarHBondContact O-N 3.16Å; E387-K391 VanDerWaalsContact O-N 3.11Å; E387-K391 VanDerWaalsContact OE2-CE 3.28Å; E387-K391 WeakPolarHBondContact OE2-CE 3.01Å; E387-K391 IonicContact OE2-NZ 3.96Å; E388-K391 PolarHBondContact O-N 2.79Å; K391-K394 PolarHBondContact O-N 2.83Å; K391-Q395 VanDerWaalsContact O-CG 3.28Å; K391-Q395 WeakPolarHBondContact O-CG 3.4Å; K391-Q395 PolarHBondContact O-N 2.88Å |
| 392 | T | 72.5 | Confident | 67.5 | Low | 65 Ų | 65 | 104 Ų | 104 | 40% | 0.399 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70 | -37.8 | 176.8 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | E388 S389 Q395 Q396 | E388-T392 WeakPolarHBondContact O-CB 3.32Å; E388-T392 WeakPolarHBondContact O-CG2 3.29Å; E388-T392 PolarHBondContact O-N 3.32Å; E388-T392 PolarHBondContact O-OG1 2.86Å; S389-T392 WeakPolarHBondContact CA-OG1 3.41Å; S389-T392 PolarHBondContact O-OG1 3.19Å; S389-T392 VanDerWaalsContact O-OG1 3.09Å; T392-Q395 PolarHBondContact O-N 3.06Å; T392-Q396 WeakPolarHBondContact O-CG 3.43Å; T392-Q396 PolarHBondContact O-N 3.38Å |
| 393 | L | 74.1 | Confident | 70.6 | Confident | 55 Ų | 55 | 101.9 Ų | 101.9 | 29% | 0.288 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 170.7 | -75.5 | 170 | 0 | 0 | 0 | 112.2 | N358 S389 Q396 E397 | N358-L393 WeakPolarHBondContact O-CD2 3.49Å; S389-L393 WeakPolarHBondContact O-CB 3.44Å; S389-L393 VanDerWaalsContact O-CG 3.26Å; S389-L393 WeakPolarHBondContact O-CG 3.37Å; S389-L393 PolarHBondContact O-N 3.39Å; L393-Q396 PolarHBondContact O-N 2.88Å; L393-E397 PolarHBondContact O-N 3.11Å |
| 394 | K | 77.2 | Confident | 73.2 | Confident | 151 Ų | 151 | 101 Ų | 101 | 66% | 0.657 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.1 | -39.1 | 176 | -172.6 | 175.2 | 179.6 | -179.4 | 0 | 112.3 | Y390 K391 E397 E398 | Y390-K394 VanDerWaalsContact O-CB 3.28Å; Y390-K394 WeakPolarHBondContact O-CB 3.22Å; Y390-K394 PolarHBondContact O-N 3.36Å; K391-K394 PolarHBondContact O-N 2.83Å; K394-E397 PolarHBondContact O-N 3.23Å; K394-E398 WeakPolarHBondContact O-CB 3.32Å; K394-E398 PolarHBondContact O-N 2.89Å |
| 395 | Q | 81.5 | Confident | 75.5 | Confident | 115 Ų | 115 | 98.6 Ų | 98.6 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 171.5 | -73.4 | 167.8 | 1.5 | 0 | 0 | 111.9 | K391 T392 E398 V399 | K391-Q395 VanDerWaalsContact O-CG 3.28Å; K391-Q395 WeakPolarHBondContact O-CG 3.4Å; K391-Q395 PolarHBondContact O-N 2.88Å; T392-Q395 PolarHBondContact O-N 3.06Å; Q395-E398 PolarHBondContact O-N 3.08Å; Q395-V399 WeakPolarHBondContact O-CG2 3.49Å; Q395-V399 PolarHBondContact O-N 3.44Å |
| 396 | Q | 77.7 | Confident | 77.4 | Confident | 83 Ų | 83 | 100 Ų | 100 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 173.7 | -72.8 | 174.4 | 21.6 | 0 | 0 | 111.4 | T392 L393 E398 V399 F400 | T392-Q396 WeakPolarHBondContact O-CG 3.43Å; T392-Q396 PolarHBondContact O-N 3.38Å; L393-Q396 PolarHBondContact O-N 2.88Å; Q396-E398 VanDerWaalsContact C-N 3.35Å; Q396-E398 PolarHBondContact O-N 2.91Å; Q396-V399 PolarHBondContact O-N 3.37Å; Q396-F400 WeakPolarHBondContact O-CD2 3.36Å; Q396-F400 PolarHBondContact O-N 2.92Å |
| 397 | E | 82.4 | Confident | 79.4 | Confident | 102 Ų | 102 | 103.1 Ų | 103.1 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 173.2 | -171.2 | -177 | 175.3 | 0 | 0 | 110.8 | L393 K394 V399 F400 R401 | L393-E397 PolarHBondContact O-N 3.11Å; K394-E397 PolarHBondContact O-N 3.23Å; E397-V399 VanDerWaalsContact C-N 3.31Å; E397-V399 PolarHBondContact O-N 3.01Å; E397-F400 CarbonylContact O-C 3.56Å; E397-F400 WeakPolarHBondContact O-CA 3.49Å; E397-F400 PolarHBondContact O-N 3.04Å; E397-R401 HydrophobicContact CG-CG 4.16Å; E397-R401 VanDerWaalsContact O-CG 3.3Å; E397-R401 WeakPolarHBondContact O-CG 3.49Å; E397-R401 PolarHBondContact O-N 3.27Å; E397-R401 IonicContact OE1-CZ 2.8Å; E397-R401 VanDerWaalsContact OE1-CZ 3.29Å; E397-R401 IonicContact OE1-NE 3.61Å; E397-R401 PolarHBondContact OE1-NE 2.84Å; E397-R401 IonicContact OE1-NH2 3.76Å; E397-R401 PolarHBondContact OE1-NH2 3.3Å |
| 398 | E | 85.8 | Confident | 80.9 | Confident | 116 Ų | 116 | 103.5 Ų | 103.5 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 178.7 | -173.8 | 166.8 | -164.4 | 0 | 0 | 112.4 | K394 Q395 Q396 R401 N402 | K394-E398 WeakPolarHBondContact O-CB 3.32Å; K394-E398 PolarHBondContact O-N 2.89Å; Q395-E398 PolarHBondContact O-N 3.08Å; Q396-E398 VanDerWaalsContact C-N 3.35Å; Q396-E398 PolarHBondContact O-N 2.91Å; E398-R401 PolarHBondContact O-N 2.91Å; E398-N402 WeakPolarHBondContact O-CB 3.41Å; E398-N402 PolarHBondContact O-N 3.34Å; E398-N402 PolarHBondContact O-ND2 2.91Å |
| 399 | V | 89.5 | Confident | 82.1 | Confident | 84 Ų | 84 | 102.2 Ų | 102.2 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 170.5 | 167.7 | 0 | 0 | 0 | 0 | 111.2 | Q395 Q396 E397 N402 L403 | Q395-V399 WeakPolarHBondContact O-CG2 3.49Å; Q395-V399 PolarHBondContact O-N 3.44Å; Q396-V399 PolarHBondContact O-N 3.37Å; E397-V399 VanDerWaalsContact C-N 3.31Å; E397-V399 PolarHBondContact O-N 3.01Å; V399-N402 PolarHBondContact O-N 2.84Å; V399-L403 HydrophobicContact CG1-CD1 4Å; V399-L403 WeakPolarHBondContact O-CG 3.46Å; V399-L403 PolarHBondContact O-N 3.36Å |
| 400 | F | 91.1 | Very high | 83.3 | Confident | 130 Ų | 130 | 102.9 Ų | 102.9 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 175.2 | -75 | -63 | 0 | 0 | 0 | 112.4 | Q396 E397 N402 L403 D404 | Q396-F400 WeakPolarHBondContact O-CD2 3.36Å; Q396-F400 PolarHBondContact O-N 2.92Å; E397-F400 CarbonylContact O-C 3.56Å; E397-F400 WeakPolarHBondContact O-CA 3.49Å; E397-F400 PolarHBondContact O-N 3.04Å; F400-N402 VanDerWaalsContact C-N 3.32Å; F400-N402 PolarHBondContact O-N 2.97Å; F400-L403 PolarHBondContact O-N 2.83Å; F400-D404 WeakPolarHBondContact O-CB 3.3Å; F400-D404 PolarHBondContact O-N 3.27Å |
| 401 | R | 92.9 | Very high | 84.3 | Confident | 151 Ų | 151 | 102.9 Ų | 102.9 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.8 | -41.1 | 175.3 | -65.1 | -64 | 179.7 | -173.8 | -1.3 | 112 | E397 E398 A405 | E397-R401 HydrophobicContact CG-CG 4.16Å; E397-R401 VanDerWaalsContact O-CG 3.3Å; E397-R401 WeakPolarHBondContact O-CG 3.49Å; E397-R401 PolarHBondContact O-N 3.27Å; E397-R401 IonicContact OE1-CZ 2.8Å; E397-R401 VanDerWaalsContact OE1-CZ 3.29Å; E397-R401 IonicContact OE1-NE 3.61Å; E397-R401 PolarHBondContact OE1-NE 2.84Å; E397-R401 IonicContact OE1-NH2 3.76Å; E397-R401 PolarHBondContact OE1-NH2 3.3Å; E398-R401 PolarHBondContact O-N 2.91Å; R401-A405 VanDerWaalsContact O-CB 3.3Å; R401-A405 WeakPolarHBondContact O-CB 3.33Å; R401-A405 PolarHBondContact O-N 2.91Å |
| 402 | N | 93.1 | Very high | 84.3 | Confident | 85 Ų | 85 | 101.1 Ų | 101.1 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.3 | -35.9 | 177 | -77.9 | -52.2 | 0 | 0 | 0 | 112.3 | E398 V399 F400 Q406 | E398-N402 WeakPolarHBondContact O-CB 3.41Å; E398-N402 PolarHBondContact O-N 3.34Å; E398-N402 PolarHBondContact O-ND2 2.91Å; V399-N402 PolarHBondContact O-N 2.84Å; F400-N402 VanDerWaalsContact C-N 3.32Å; F400-N402 PolarHBondContact O-N 2.97Å; N402-Q406 WeakPolarHBondContact O-CB 3.28Å; N402-Q406 VanDerWaalsContact O-CG 3.22Å; N402-Q406 WeakPolarHBondContact O-CG 3.28Å; N402-Q406 PolarHBondContact O-N 3.18Å |
| 403 | L | 92.1 | Very high | 84.3 | Confident | 89 Ų | 89 | 104 Ų | 104 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.7 | -41.7 | 173.6 | -71.3 | 170.7 | 0 | 0 | 0 | 112.2 | V399 F400 Q406 Y407 | V399-L403 HydrophobicContact CG1-CD1 4Å; V399-L403 WeakPolarHBondContact O-CG 3.46Å; V399-L403 PolarHBondContact O-N 3.36Å; F400-L403 PolarHBondContact O-N 2.83Å; L403-Q406 PolarHBondContact O-N 2.8Å; L403-Y407 WeakPolarHBondContact O-CB 3.28Å; L403-Y407 PolarHBondContact O-N 2.62Å |
| 404 | D | 91.6 | Very high | 83.9 | Confident | 93 Ų | 93 | 105.6 Ų | 105.6 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 173.5 | -78.8 | -21.8 | 0 | 0 | 0 | 110.9 | F400 Q406 Y407 E408 | F400-D404 WeakPolarHBondContact O-CB 3.3Å; F400-D404 PolarHBondContact O-N 3.27Å; D404-Q406 PolarHBondContact O-N 3.43Å; D404-Y407 CarbonylContact O-C 3.56Å; D404-Y407 WeakPolarHBondContact O-CB 3.41Å; D404-Y407 PolarHBondContact O-N 2.93Å; D404-Y407 VanDerWaalsContact O-N 3.16Å; D404-E408 WeakPolarHBondContact O-CG 3.3Å; D404-E408 PolarHBondContact O-N 2.71Å |
| 405 | A | 87.7 | Confident | 82.8 | Confident | 41 Ų | 41 | 104.7 Ų | 104.7 | 34% | 0.339 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R401 Y407 E408 M409 | R401-A405 VanDerWaalsContact O-CB 3.3Å; R401-A405 WeakPolarHBondContact O-CB 3.33Å; R401-A405 PolarHBondContact O-N 2.91Å; A405-Y407 VanDerWaalsContact C-N 3.33Å; A405-E408 PolarHBondContact O-N 3.01Å; A405-M409 WeakPolarHBondContact O-CB 3.32Å; A405-M409 WeakPolarHBondContact O-CG 3.24Å; A405-M409 PolarHBondContact O-N 3.4Å |
| 406 | Q | 85.7 | Confident | 81.7 | Confident | 112 Ų | 112 | 104.3 Ų | 104.3 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 171.9 | -75.5 | 172 | 38 | 0 | 0 | 111.9 | N402 L403 D404 M409 A410 | N402-Q406 WeakPolarHBondContact O-CB 3.28Å; N402-Q406 VanDerWaalsContact O-CG 3.22Å; N402-Q406 WeakPolarHBondContact O-CG 3.28Å; N402-Q406 PolarHBondContact O-N 3.18Å; L403-Q406 PolarHBondContact O-N 2.8Å; D404-Q406 PolarHBondContact O-N 3.43Å; Q406-M409 HydrophobicContact CG-CE 4.13Å; Q406-M409 PolarHBondContact O-N 3Å; Q406-A410 VanDerWaalsContact O-CB 3.32Å; Q406-A410 WeakPolarHBondContact O-CB 3.48Å; Q406-A410 PolarHBondContact O-N 2.91Å |
| 407 | Y | 90.4 | Very high | 80.6 | Confident | 158 Ų | 158 | 106.8 Ų | 106.8 | 62% | 0.62 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.5 | -41.1 | 174.6 | 179.8 | -103 | 0 | 0 | 0 | 111.8 | L403 D404 A405 R411 | L403-Y407 WeakPolarHBondContact O-CB 3.28Å; L403-Y407 PolarHBondContact O-N 2.62Å; D404-Y407 CarbonylContact O-C 3.56Å; D404-Y407 WeakPolarHBondContact O-CB 3.41Å; D404-Y407 PolarHBondContact O-N 2.93Å; D404-Y407 VanDerWaalsContact O-N 3.16Å; A405-Y407 VanDerWaalsContact C-N 3.33Å; Y407-R411 WeakPolarHBondContact O-CA 2.95Å; Y407-R411 WeakPolarHBondContact O-CB 3.34Å; Y407-R411 PolarHBondContact O-N 3.09Å |
| 408 | E | 85.6 | Confident | 79.6 | Confident | 131 Ų | 131 | 112.9 Ų | 112.9 | 61% | 0.612 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67 | -37.5 | 174.4 | -71.6 | -163.8 | 146.8 | 0 | 0 | 112.8 | D404 A405 S412 | D404-E408 WeakPolarHBondContact O-CG 3.3Å; D404-E408 PolarHBondContact O-N 2.71Å; A405-E408 PolarHBondContact O-N 3.01Å; E408-S412 WeakPolarHBondContact O-CB 3.33Å; E408-S412 PolarHBondContact O-N 2.72Å; E408-S412 PolarHBondContact O-OG 3.26Å |
| 409 | M | 81.7 | Confident | 78.3 | Confident | 116 Ų | 116 | 110.6 Ų | 110.6 | 57% | 0.571 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.8 | -51.4 | 172.1 | -73.2 | -172.7 | -67 | 0 | 0 | 111.5 | A405 Q406 R411 S412 Q413 | A405-M409 WeakPolarHBondContact O-CB 3.32Å; A405-M409 WeakPolarHBondContact O-CG 3.24Å; A405-M409 PolarHBondContact O-N 3.4Å; Q406-M409 HydrophobicContact CG-CE 4.13Å; Q406-M409 PolarHBondContact O-N 3Å; M409-R411 VanDerWaalsContact C-N 3.3Å; M409-R411 PolarHBondContact O-N 3.37Å; M409-S412 PolarHBondContact O-N 3.38Å; M409-S412 PolarHBondContact O-OG 2.92Å; M409-Q413 WeakPolarHBondContact O-CB 3.35Å; M409-Q413 PolarHBondContact O-N 3.31Å |
| 410 | A | 82.2 | Confident | 76.7 | Confident | 47 Ų | 47 | 114.9 Ų | 114.9 | 39% | 0.388 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.4 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q406 T414 | Q406-A410 VanDerWaalsContact O-CB 3.32Å; Q406-A410 WeakPolarHBondContact O-CB 3.48Å; Q406-A410 PolarHBondContact O-N 2.91Å; A410-T414 WeakPolarHBondContact O-CB 3.5Å; A410-T414 WeakPolarHBondContact O-CG2 3.39Å; A410-T414 PolarHBondContact O-N 2.7Å; A410-T414 PolarHBondContact O-OG1 3.32Å |
| 411 | R | 83.4 | Confident | 74.8 | Confident | 132 Ų | 132 | 111.8 Ų | 111.8 | 50% | 0.498 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.6 | -43.7 | 176.1 | -177.9 | 174.6 | 178.1 | -117 | -3.9 | 111.5 | Y407 M409 T414 H415 | Y407-R411 WeakPolarHBondContact O-CA 2.95Å; Y407-R411 WeakPolarHBondContact O-CB 3.34Å; Y407-R411 PolarHBondContact O-N 3.09Å; M409-R411 VanDerWaalsContact C-N 3.3Å; M409-R411 PolarHBondContact O-N 3.37Å; R411-T414 PolarHBondContact O-OG1 3.47Å; R411-H415 WeakPolarHBondContact O-CA 3.3Å; R411-H415 WeakPolarHBondContact O-CB 3.3Å; R411-H415 PolarHBondContact O-N 3.45Å |
| 412 | S | 71.3 | Confident | 73.3 | Confident | 67 Ų | 67 | 111.8 Ų | 111.8 | 47% | 0.469 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.8 | -41.2 | 176.7 | 54.6 | 0 | 0 | 0 | 0 | 111.9 | E408 M409 T416 | E408-S412 WeakPolarHBondContact O-CB 3.33Å; E408-S412 PolarHBondContact O-N 2.72Å; E408-S412 PolarHBondContact O-OG 3.26Å; M409-S412 PolarHBondContact O-N 3.38Å; M409-S412 PolarHBondContact O-OG 2.92Å; S412-T416 WeakPolarHBondContact O-CB 3.39Å; S412-T416 VanDerWaalsContact O-CG2 3.27Å; S412-T416 WeakPolarHBondContact O-CG2 3.27Å; S412-T416 PolarHBondContact O-N 3.37Å; S412-T416 PolarHBondContact O-OG1 3.15Å |
| 413 | Q | 72.5 | Confident | 71.4 | Confident | 127 Ų | 127 | 110.8 Ų | 110.8 | 59% | 0.593 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -59 | -52.2 | 173.5 | -172.8 | -179.4 | 16.7 | 0 | 0 | 112 | M409 T416 Q417 | M409-Q413 WeakPolarHBondContact O-CB 3.35Å; M409-Q413 PolarHBondContact O-N 3.31Å; Q413-T416 PolarHBondContact O-OG1 3.14Å; Q413-Q417 PolarHBondContact O-N 3.23Å |
| 414 | T | 66.4 | Low | 69.6 | Low | 87 Ų | 87 | 115.3 Ų | 115.3 | 53% | 0.534 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -73.5 | -35.8 | -178.3 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | A410 R411 R418 | A410-T414 WeakPolarHBondContact O-CB 3.5Å; A410-T414 WeakPolarHBondContact O-CG2 3.39Å; A410-T414 PolarHBondContact O-N 2.7Å; A410-T414 PolarHBondContact O-OG1 3.32Å; R411-T414 PolarHBondContact O-OG1 3.47Å; T414-R418 VanDerWaalsContact O-CB 3.27Å; T414-R418 WeakPolarHBondContact O-CB 3.37Å; T414-R418 PolarHBondContact O-N 3.44Å; T414-R418 VanDerWaalsContact O-N 3.08Å |
| 415 | H | 53.2 | Low | 67.7 | Low | 132 Ų | 132 | 117.4 Ų | 117.4 | 61% | 0.611 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75 | -29.3 | -179.1 | -167.2 | -40.8 | 0 | 0 | 0 | 112.7 | R411 | R411-H415 WeakPolarHBondContact O-CA 3.3Å; R411-H415 WeakPolarHBondContact O-CB 3.3Å; R411-H415 PolarHBondContact O-N 3.45Å |
| 416 | T | 59.6 | Low | 66 | Low | 107 Ų | 107 | 121 Ų | 121 | 66% | 0.656 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -76.8 | -29 | 175.2 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | S412 Q413 | S412-T416 WeakPolarHBondContact O-CB 3.39Å; S412-T416 VanDerWaalsContact O-CG2 3.27Å; S412-T416 WeakPolarHBondContact O-CG2 3.27Å; S412-T416 PolarHBondContact O-N 3.37Å; S412-T416 PolarHBondContact O-OG1 3.15Å; Q413-T416 PolarHBondContact O-OG1 3.14Å |
| 417 | Q | 55.1 | Low | 64.3 | Low | 135 Ų | 135 | 121.1 Ų | 121.1 | 63% | 0.631 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -92.1 | -19.9 | 179.6 | -66.6 | -171.5 | -15.2 | 0 | 0 | 114.6 | Q413 G419 M420 | Q413-Q417 PolarHBondContact O-N 3.23Å; Q417-G419 PolarHBondContact O-N 3.43Å; Q417-M420 PolarHBondContact O-N 3.19Å |
| 418 | R | 60.7 | Low | 62.4 | Low | 231 Ų | 231 | 122.4 Ų | 122.4 | 87% | 0.872 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 8.4 | 178.7 | -160.7 | 167 | -172.9 | 145.8 | 3.8 | 115.1 | T414 | T414-R418 VanDerWaalsContact O-CB 3.27Å; T414-R418 WeakPolarHBondContact O-CB 3.37Å; T414-R418 PolarHBondContact O-N 3.44Å; T414-R418 VanDerWaalsContact O-N 3.08Å |
| 419 | G | 58.3 | Low | 60.8 | Low | 68 Ų | 68 | 128.1 Ų | 128.1 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -17.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q417 G421 | Q417-G419 PolarHBondContact O-N 3.43Å; G419-G421 VanDerWaalsContact C-N 3.27Å; G419-G421 PolarHBondContact O-N 3.14Å |
| 420 | M | 55.8 | Low | 59.1 | Low | 173 Ų | 173 | 126.6 Ų | 126.6 | 85% | 0.852 | 71% | 0.71 | S | S | * | * | trans | -95.1 | 52.7 | -178.9 | -59.7 | -174 | 84 | 0 | 0 | 110.8 | Q417 | Q417-M420 PolarHBondContact O-N 3.19Š| ||
| 421 | G | 51.9 | Low | 57.6 | Low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | trans | -71.5 | 126.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | G419 G423 | G419-G421 VanDerWaalsContact C-N 3.27Å; G419-G421 PolarHBondContact O-N 3.14Å; G421-G423 PolarHBondContact O-N 3.14Å | ||
| 422 | L | 60.3 | Low | 55.7 | Low | 151 Ų | 151 | 135 Ų | 135 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -59.7 | 113.9 | 177.8 | -159 | 62.5 | 0 | 0 | 0 | 110.1 | F424 | L422-F424 VanDerWaalsContact C-N 3.33Å; L422-F424 HydrophobicContact CB-CD2 4.45Å; L422-F424 HydrophobicContact CD2-CD2 4.3Å; L422-F424 HydrophobicContact CD2-CE2 3.72Å; L422-F424 HydrophobicContact CG-CD2 4.11Å; L422-F424 HydrophobicContact CG-CE2 3.86Å; L422-F424 PolarHBondContact O-N 2.78Å | ||
| 423 | G | 53.5 | Low | 54.2 | Low | 63 Ų | 63 | 136.6 Ų | 136.6 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | trans | -75.6 | 61.1 | -160.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | G421 T425 | G421-G423 PolarHBondContact O-N 3.14Å; G423-T425 PolarHBondContact O-N 2.94Å | ||
| 424 | F | 54.3 | Low | 52.5 | Low | 185 Ų | 185 | 141.1 Ų | 141.1 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -76.5 | 45.7 | 177.9 | -83.2 | -79.3 | 0 | 0 | 0 | 114.3 | L422 | L422-F424 VanDerWaalsContact C-N 3.33Å; L422-F424 HydrophobicContact CB-CD2 4.45Å; L422-F424 HydrophobicContact CD2-CD2 4.3Å; L422-F424 HydrophobicContact CD2-CE2 3.72Å; L422-F424 HydrophobicContact CG-CD2 4.11Å; L422-F424 HydrophobicContact CG-CE2 3.86Å; L422-F424 PolarHBondContact O-N 2.78Å | ||
| 425 | T | 52.9 | Low | 51.8 | Low | 137 Ų | 137 | 143.8 Ų | 143.8 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -134.5 | 25.4 | -176 | 62.3 | 0 | 0 | 0 | 0 | 115.5 | G423 | G423-T425 PolarHBondContact O-N 2.94Š|
| 426 | S | 50.8 | Low | 51.7 | Low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -155.9 | 45.2 | 170.4 | 67.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 427 | S | 49.7 | Very low | 51.3 | Low | 116 Ų | 116 | 146.5 Ų | 146.5 | 81% | 0.811 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -152.1 | 68.9 | 167 | -164.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 428 | M | 51.5 | Low | 51.1 | Low | 185 Ų | 185 | 147.2 Ų | 147.2 | 91% | 0.911 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -166.6 | 58.8 | 156.7 | -79.6 | -147.8 | -175 | 0 | 0 | 110.1 | ||
| 429 | R | 52.3 | Low | 50.5 | Low | 250 Ų | 250 | 141.9 Ų | 141.9 | 94% | 0.943 | 85% | 0.854 | S | S | * | * | trans | -164.5 | 63.6 | 160.8 | -131.4 | 174.2 | -66 | -127 | -0.2 | 112 | ||||
| 430 | G | 45.5 | Very low | 50 | Low | 84 Ų | 84 | 146.9 Ų | 146.9 | 87% | 0.866 | 86% | 0.864 | S | S | * | * | trans | -114 | 64.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 431 | M | 51.2 | Low | 49.5 | Very low | 181 Ų | 181 | 145 Ų | 145 | 89% | 0.892 | 87% | 0.865 | S | S | * | * | trans | -128.9 | 86.1 | 173.4 | -97 | -172.9 | 154.5 | 0 | 0 | 107.3 | ||||
| 432 | D | 42.7 | Very low | 49.4 | Very low | 175 Ų | 175 | 151.1 Ų | 151.1 | 94% | 0.936 | 88% | 0.879 | S | S | * | * | trans | -131.5 | 138.4 | 156.9 | -81.6 | -57.2 | 0 | 0 | 0 | 105.9 | ||||
| 433 | A | 39.6 | Very low | 48.4 | Very low | 100 Ų | 100 | 151.1 Ų | 151.1 | 83% | 0.826 | 89% | 0.886 | S | S | * | * | trans | -121.1 | 131.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 434 | V | 37.3 | Very low | 48 | Very low | 222 Ų | 222 | 159.1 Ų | 159.1 | 100% | 1.345 | 91% | 0.908 | S | S | * | * | trans | -172.6 | 0 | 151.2 | 142.9 | 0 | 0 | 0 | 0 | 106.2 |
Retrieved 434 of 434 residues in 54.4 ms
(Link to these results)